SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
type: datablock
alternative label: 7K3X
link to mmcif: 7K3X.cif.gz
link to pdbml: 7K3X.xml.gz
link to pdbml noatom: 7K3X-noatom.xml.gz
link to pdbml extatom: 7K3X-extatom.xml.gz
link to doi: doi:10.2210/pdb7K3X/pdb
datablock name: 7K3X-noatom
has atom sites category: atom sitesCategory
has atom type category: atom typeCategory
has audit author category: audit authorCategory
has audit conform category: audit conformCategory
has cell category: cellCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has database 2 category: database 2Category
has diffrn category: diffrnCategory
has diffrn detector category: diffrn detectorCategory
has diffrn radiation category: diffrn radiationCategory
has diffrn radiation wavelength category: diffrn radiation wavelengthCategory
has diffrn source category: diffrn sourceCategory
has entity category: entityCategory
has entity poly category: entity polyCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has exptl category: exptlCategory
has exptl crystal category: exptl crystalCategory
has exptl crystal grow category: exptl crystal growCategory
has pdbx audit revision category category: pdbx audit revision categoryCategory
has pdbx audit revision details category: pdbx audit revision detailsCategory
has pdbx audit revision group category: pdbx audit revision groupCategory
has pdbx audit revision history category: pdbx audit revision historyCategory
has pdbx audit revision item category: pdbx audit revision itemCategory
has pdbx audit support category: pdbx audit supportCategory
has pdbx database related category: pdbx database relatedCategory
has pdbx database status category: pdbx database statusCategory
has pdbx entity nonpoly category: pdbx entity nonpolyCategory
has pdbx entity src syn category: pdbx entity src synCategory
has pdbx entry details category: pdbx entry detailsCategory
has pdbx initial refinement model category: pdbx initial refinement modelCategory
has pdbx nonpoly scheme category: pdbx nonpoly schemeCategory
has pdbx phasing MR category: pdbx phasing MRCategory
has pdbx poly seq scheme category: pdbx poly seq schemeCategory
has pdbx reflns twin category: pdbx reflns twinCategory
has pdbx struct assembly category: pdbx struct assemblyCategory
has pdbx struct assembly auth evidence category: pdbx struct assembly auth evidenceCategory
has pdbx struct assembly gen category: pdbx struct assembly genCategory
has pdbx struct oper list category: pdbx struct oper listCategory
has phasing category: phasingCategory
has refine category: refineCategory
has refine hist category: refine histCategory
has refine ls restr category: refine ls restrCategory
has refine ls shell category: refine ls shellCategory
has reflns category: reflnsCategory
has reflns shell category: reflns shellCategory
has software category: softwareCategory
has struct category: structCategory
has struct asym category: struct asymCategory
has struct keywords category: struct keywordsCategory
has struct ref category: struct refCategory
has struct ref seq category: struct ref seqCategory
has symmetry category: symmetryCategory

7K3X
type: atom sites
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
atom sites.entry id: 7K3X
atom sites.fract transf matrix11: 0.21097
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0.049988
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 0.021659
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 0.099486
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

7K3X
referenced by atom sites: 7K3X
referenced by cell: 7K3X
type: entry
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
entry.id: 7K3X
referenced by exptl: 7K3X,X-RAY DIFFRACTION
referenced by refine: 7K3X,X-RAY DIFFRACTION
referenced by reflns: http://rdf.wwpdb.org/pdb/7K3X/reflns/1
referenced by struct: 7K3X
referenced by struct keywords: 7K3X
referenced by symmetry: 7K3X
referenced by pdbx database status: 7K3X
referenced by pdbx entry details: 7K3X

http://rdf.wwpdb.org/pdb/7K3X/atom_type/C
type: atom type
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
atom type.symbol: C
atom type.pdbx n electrons: 6
atom type.pdbx scat z: 6
atom type.scat cromer mann a1: 2.31
atom type.scat cromer mann a2: 1.02
atom type.scat cromer mann a3: 1.589
atom type.scat cromer mann a4: 0.865
atom type.scat cromer mann b1: 20.844
atom type.scat cromer mann b2: 10.208
atom type.scat cromer mann b3: 0.569
atom type.scat cromer mann b4: 51.651
atom type.scat cromer mann c: 0.216

http://rdf.wwpdb.org/pdb/7K3X/atom_type/H
type: atom type
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
atom type.symbol: H
atom type.pdbx n electrons: 1
atom type.pdbx scat z: 1
atom type.scat cromer mann a1: 0.493
atom type.scat cromer mann a2: 0.323
atom type.scat cromer mann a3: 0.14
atom type.scat cromer mann a4: 0.041
atom type.scat cromer mann b1: 10.511
atom type.scat cromer mann b2: 26.126
atom type.scat cromer mann b3: 3.142
atom type.scat cromer mann b4: 57.8
atom type.scat cromer mann c: 0.003

http://rdf.wwpdb.org/pdb/7K3X/atom_type/N
type: atom type
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
atom type.symbol: N
atom type.pdbx n electrons: 7
atom type.pdbx scat z: 7
atom type.scat cromer mann a1: 12.222
atom type.scat cromer mann a2: 3.135
atom type.scat cromer mann a3: 2.014
atom type.scat cromer mann a4: 1.167
atom type.scat cromer mann b1: 0.006
atom type.scat cromer mann b2: 9.893
atom type.scat cromer mann b3: 28.997
atom type.scat cromer mann b4: 0.583
atom type.scat cromer mann c: -11.538

http://rdf.wwpdb.org/pdb/7K3X/atom_type/O
type: atom type
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
atom type.symbol: O
atom type.pdbx n electrons: 8
atom type.pdbx scat z: 8
atom type.scat cromer mann a1: 3.049
atom type.scat cromer mann a2: 2.287
atom type.scat cromer mann a3: 1.546
atom type.scat cromer mann a4: 0.867
atom type.scat cromer mann b1: 13.277
atom type.scat cromer mann b2: 5.701
atom type.scat cromer mann b3: 0.324
atom type.scat cromer mann b4: 32.909
atom type.scat cromer mann c: 0.251

http://rdf.wwpdb.org/pdb/7K3X/atom_type/S
type: atom type
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
atom type.symbol: S
atom type.pdbx n electrons: 16
atom type.pdbx scat z: 16
atom type.scat cromer mann a1: 6.905
atom type.scat cromer mann a2: 5.203
atom type.scat cromer mann a3: 1.438
atom type.scat cromer mann a4: 1.586
atom type.scat cromer mann b1: 1.468
atom type.scat cromer mann b2: 22.215
atom type.scat cromer mann b3: 0.254
atom type.scat cromer mann b4: 56.172
atom type.scat cromer mann c: 0.867

http://rdf.wwpdb.org/pdb/7K3X/audit_author/1
type: audit author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
audit author.pdbx ordinal: 1
audit author.identifier ORCID: 0000-0003-1969-7701
audit author.name: Murray, K.A.

http://rdf.wwpdb.org/pdb/7K3X/audit_author/2
type: audit author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
audit author.pdbx ordinal: 2
audit author.identifier ORCID: 0000-0003-0874-9043
audit author.name: Sawaya, M.R.

http://rdf.wwpdb.org/pdb/7K3X/audit_author/3
type: audit author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
audit author.pdbx ordinal: 3
audit author.identifier ORCID: 0000-0003-2432-5419
audit author.name: Eisenberg, D.S.

mmcif pdbx.dic,5.389
type: audit conform
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.389
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

7K3X
type: cell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
cell.entry id: 7K3X
cell.z PDB: 2
cell.angle alpha: 90
cell.angle beta: 103.33
cell.angle gamma: 90
cell.length a: 4.74
cell.length b: 46.17
cell.length c: 10.33

CYS
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: CYS
chem comp.formula: C3 H7 N O2 S
chem comp.formula weight: 121.158
chem comp.mon nstd flag: y
chem comp.name: CYSTEINE
chem comp.type: L-peptide linking
link to chem comp: CYS
referenced by chem comp atom: HXT,CYS
referenced by chem comp bond: OXT,HXT,CYS
referenced by entity poly seq: 1,CYS,5
referenced by chem comp atom: N,CYS
referenced by chem comp atom: CA,CYS
referenced by chem comp atom: C,CYS
referenced by chem comp atom: O,CYS
referenced by chem comp atom: CB,CYS
referenced by chem comp atom: SG,CYS
referenced by chem comp atom: OXT,CYS
referenced by chem comp atom: H,CYS
referenced by chem comp atom: H2,CYS
referenced by chem comp atom: HA,CYS
referenced by chem comp atom: HB2,CYS
referenced by chem comp atom: HB3,CYS
referenced by chem comp atom: HG,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: N,H,CYS
referenced by chem comp bond: N,H2,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: CA,CB,CYS
referenced by chem comp bond: CA,HA,CYS
referenced by chem comp bond: C,O,CYS
referenced by chem comp bond: C,OXT,CYS
referenced by chem comp bond: CB,SG,CYS
referenced by chem comp bond: CB,HB2,CYS
referenced by chem comp bond: CB,HB3,CYS
referenced by chem comp bond: SG,HG,CYS

GLY
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: GLY
chem comp.formula: C2 H5 N O2
chem comp.formula weight: 75.067
chem comp.mon nstd flag: y
chem comp.name: GLYCINE
chem comp.type: peptide linking
link to chem comp: GLY
referenced by chem comp atom: HXT,GLY
referenced by chem comp bond: OXT,HXT,GLY
referenced by entity poly seq: 1,GLY,4
referenced by chem comp atom: N,GLY
referenced by chem comp atom: CA,GLY
referenced by chem comp atom: C,GLY
referenced by chem comp atom: O,GLY
referenced by chem comp atom: OXT,GLY
referenced by chem comp atom: H,GLY
referenced by chem comp atom: H2,GLY
referenced by chem comp atom: HA2,GLY
referenced by chem comp atom: HA3,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: N,H,GLY
referenced by chem comp bond: N,H2,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: CA,HA2,GLY
referenced by chem comp bond: CA,HA3,GLY
referenced by chem comp bond: C,O,GLY
referenced by chem comp bond: C,OXT,GLY
referenced by entity poly seq: 1,GLY,2

HOH
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: HOH
chem comp.formula: H2 O
chem comp.formula weight: 18.015
chem comp.name: WATER
chem comp.type: non-polymer
link to chem comp: HOH
referenced by chem comp atom: H2,HOH
referenced by chem comp bond: O,H2,HOH
referenced by chem comp atom: O,HOH
referenced by chem comp atom: H1,HOH
referenced by chem comp bond: O,H1,HOH

ILE
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: ILE
chem comp.formula: C6 H13 N O2
chem comp.formula weight: 131.173
chem comp.mon nstd flag: y
chem comp.name: ISOLEUCINE
chem comp.type: L-peptide linking
link to chem comp: ILE
referenced by chem comp atom: HXT,ILE
referenced by chem comp bond: OXT,HXT,ILE
referenced by entity poly seq: 1,ILE,6
referenced by chem comp atom: N,ILE
referenced by chem comp atom: CA,ILE
referenced by chem comp atom: C,ILE
referenced by chem comp atom: O,ILE
referenced by chem comp atom: CB,ILE
referenced by chem comp atom: CG1,ILE
referenced by chem comp atom: CG2,ILE
referenced by chem comp atom: CD1,ILE
referenced by chem comp atom: OXT,ILE
referenced by chem comp atom: H,ILE
referenced by chem comp atom: H2,ILE
referenced by chem comp atom: HA,ILE
referenced by chem comp atom: HB,ILE
referenced by chem comp atom: HG12,ILE
referenced by chem comp atom: HG13,ILE
referenced by chem comp atom: HG21,ILE
referenced by chem comp atom: HG22,ILE
referenced by chem comp atom: HG23,ILE
referenced by chem comp atom: HD11,ILE
referenced by chem comp atom: HD12,ILE
referenced by chem comp atom: HD13,ILE
referenced by chem comp bond: N,CA,ILE
referenced by chem comp bond: N,H,ILE
referenced by chem comp bond: N,H2,ILE
referenced by chem comp bond: CA,C,ILE
referenced by chem comp bond: CA,CB,ILE
referenced by chem comp bond: CA,HA,ILE
referenced by chem comp bond: C,O,ILE
referenced by chem comp bond: C,OXT,ILE
referenced by chem comp bond: CB,CG1,ILE
referenced by chem comp bond: CB,CG2,ILE
referenced by chem comp bond: CB,HB,ILE
referenced by chem comp bond: CG1,CD1,ILE
referenced by chem comp bond: CG1,HG12,ILE
referenced by chem comp bond: CG1,HG13,ILE
referenced by chem comp bond: CG2,HG21,ILE
referenced by chem comp bond: CG2,HG22,ILE
referenced by chem comp bond: CG2,HG23,ILE
referenced by chem comp bond: CD1,HD11,ILE
referenced by chem comp bond: CD1,HD12,ILE
referenced by chem comp bond: CD1,HD13,ILE

IPA
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: IPA
chem comp.formula: C3 H8 O
chem comp.formula weight: 60.095
chem comp.name: ISOPROPYL ALCOHOL
chem comp.pdbx synonyms: 2-PROPANOL
chem comp.type: non-polymer
link to chem comp: IPA
referenced by chem comp atom: HO2,IPA
referenced by chem comp bond: O2,HO2,IPA
referenced by chem comp atom: C1,IPA
referenced by chem comp atom: C2,IPA
referenced by chem comp atom: C3,IPA
referenced by chem comp atom: O2,IPA
referenced by chem comp atom: H11,IPA
referenced by chem comp atom: H12,IPA
referenced by chem comp atom: H13,IPA
referenced by chem comp atom: H2,IPA
referenced by chem comp atom: H31,IPA
referenced by chem comp atom: H32,IPA
referenced by chem comp atom: H33,IPA
referenced by chem comp bond: C1,C2,IPA
referenced by chem comp bond: C1,H11,IPA
referenced by chem comp bond: C1,H12,IPA
referenced by chem comp bond: C1,H13,IPA
referenced by chem comp bond: C2,C3,IPA
referenced by chem comp bond: C2,O2,IPA
referenced by chem comp bond: C2,H2,IPA
referenced by chem comp bond: C3,H31,IPA
referenced by chem comp bond: C3,H32,IPA
referenced by chem comp bond: C3,H33,IPA

MET
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: MET
chem comp.formula: C5 H11 N O2 S
chem comp.formula weight: 149.211
chem comp.mon nstd flag: y
chem comp.name: METHIONINE
chem comp.type: L-peptide linking
link to chem comp: MET
referenced by chem comp atom: HXT,MET
referenced by chem comp bond: OXT,HXT,MET
referenced by entity poly seq: 1,MET,3
referenced by chem comp atom: N,MET
referenced by chem comp atom: CA,MET
referenced by chem comp atom: C,MET
referenced by chem comp atom: O,MET
referenced by chem comp atom: CB,MET
referenced by chem comp atom: CG,MET
referenced by chem comp atom: SD,MET
referenced by chem comp atom: CE,MET
referenced by chem comp atom: OXT,MET
referenced by chem comp atom: H,MET
referenced by chem comp atom: H2,MET
referenced by chem comp atom: HA,MET
referenced by chem comp atom: HB2,MET
referenced by chem comp atom: HB3,MET
referenced by chem comp atom: HG2,MET
referenced by chem comp atom: HG3,MET
referenced by chem comp atom: HE1,MET
referenced by chem comp atom: HE2,MET
referenced by chem comp atom: HE3,MET
referenced by chem comp bond: N,CA,MET
referenced by chem comp bond: N,H,MET
referenced by chem comp bond: N,H2,MET
referenced by chem comp bond: CA,C,MET
referenced by chem comp bond: CA,CB,MET
referenced by chem comp bond: CA,HA,MET
referenced by chem comp bond: C,O,MET
referenced by chem comp bond: C,OXT,MET
referenced by chem comp bond: CB,CG,MET
referenced by chem comp bond: CB,HB2,MET
referenced by chem comp bond: CB,HB3,MET
referenced by chem comp bond: CG,SD,MET
referenced by chem comp bond: CG,HG2,MET
referenced by chem comp bond: CG,HG3,MET
referenced by chem comp bond: SD,CE,MET
referenced by chem comp bond: CE,HE1,MET
referenced by chem comp bond: CE,HE2,MET
referenced by chem comp bond: CE,HE3,MET

SER
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: SER
chem comp.formula: C3 H7 N O3
chem comp.formula weight: 105.093
chem comp.mon nstd flag: y
chem comp.name: SERINE
chem comp.type: L-peptide linking
link to chem comp: SER
referenced by chem comp atom: HXT,SER
referenced by chem comp bond: OXT,HXT,SER
referenced by entity poly seq: 1,SER,1
referenced by chem comp atom: N,SER
referenced by chem comp atom: CA,SER
referenced by chem comp atom: C,SER
referenced by chem comp atom: O,SER
referenced by chem comp atom: CB,SER
referenced by chem comp atom: OG,SER
referenced by chem comp atom: OXT,SER
referenced by chem comp atom: H,SER
referenced by chem comp atom: H2,SER
referenced by chem comp atom: HA,SER
referenced by chem comp atom: HB2,SER
referenced by chem comp atom: HB3,SER
referenced by chem comp atom: HG,SER
referenced by chem comp bond: N,CA,SER
referenced by chem comp bond: N,H,SER
referenced by chem comp bond: N,H2,SER
referenced by chem comp bond: CA,C,SER
referenced by chem comp bond: CA,CB,SER
referenced by chem comp bond: CA,HA,SER
referenced by chem comp bond: C,O,SER
referenced by chem comp bond: C,OXT,SER
referenced by chem comp bond: CB,OG,SER
referenced by chem comp bond: CB,HB2,SER
referenced by chem comp bond: CB,HB3,SER
referenced by chem comp bond: OG,HG,SER

THR
type: chem comp
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
chem comp.id: THR
chem comp.formula: C4 H9 N O3
chem comp.formula weight: 119.119
chem comp.mon nstd flag: y
chem comp.name: THREONINE
chem comp.type: L-peptide linking
link to chem comp: THR
referenced by chem comp atom: HXT,THR
referenced by chem comp bond: OXT,HXT,THR
referenced by entity poly seq: 1,THR,7
referenced by chem comp atom: N,THR
referenced by chem comp atom: CA,THR
referenced by chem comp atom: C,THR
referenced by chem comp atom: O,THR
referenced by chem comp atom: CB,THR
referenced by chem comp atom: OG1,THR
referenced by chem comp atom: CG2,THR
referenced by chem comp atom: OXT,THR
referenced by chem comp atom: H,THR
referenced by chem comp atom: H2,THR
referenced by chem comp atom: HA,THR
referenced by chem comp atom: HB,THR
referenced by chem comp atom: HG1,THR
referenced by chem comp atom: HG21,THR
referenced by chem comp atom: HG22,THR
referenced by chem comp atom: HG23,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: N,H,THR
referenced by chem comp bond: N,H2,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: CA,CB,THR
referenced by chem comp bond: CA,HA,THR
referenced by chem comp bond: C,O,THR
referenced by chem comp bond: C,OXT,THR
referenced by chem comp bond: CB,OG1,THR
referenced by chem comp bond: CB,CG2,THR
referenced by chem comp bond: CB,HB,THR
referenced by chem comp bond: OG1,HG1,THR
referenced by chem comp bond: CG2,HG21,THR
referenced by chem comp bond: CG2,HG22,THR
referenced by chem comp bond: CG2,HG23,THR

N,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: N
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: N,H,CYS

CA,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: CA
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: CA,CB,CYS

C,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: C
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: C,O,CYS

O,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: O
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,CYS

CB,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: CB
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,CYS
referenced by chem comp bond: CA,CB,CYS
referenced by chem comp bond: CB,SG,CYS
referenced by chem comp bond: CB,HB2,CYS

SG,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: SG
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: SG,HG,CYS
referenced by chem comp bond: CB,SG,CYS

OXT,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: OXT
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,CYS
referenced by chem comp bond: C,OXT,CYS

H,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: H
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,CYS

H2,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: H2
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,CYS

HA,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: HA
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,CYS

HB2,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: HB2
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,CYS

HB3,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: HB3
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,CYS

HG,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: HG
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: SG,HG,CYS

HXT,CYS
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
chem comp atom.atom id: HXT
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,CYS

N,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: N
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: N,H,GLY

CA,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: CA
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA3,GLY
referenced by chem comp bond: N,CA,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: CA,HA2,GLY

C,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: C
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,GLY
referenced by chem comp bond: CA,C,GLY
referenced by chem comp bond: C,O,GLY

O,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: O
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,GLY

OXT,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: OXT
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,GLY
referenced by chem comp bond: C,OXT,GLY

H,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: H
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,GLY

H2,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: H2
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,GLY

HA2,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: HA2
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA2,GLY

HA3,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: HA3
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA3,GLY

HXT,GLY
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
chem comp atom.atom id: HXT
chem comp atom.comp id: GLY
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,GLY

O,HOH
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: HOH
chem comp atom.atom id: O
chem comp atom.comp id: HOH
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O,H2,HOH
referenced by chem comp bond: O,H1,HOH

H1,HOH
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: HOH
chem comp atom.atom id: H1
chem comp atom.comp id: HOH
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O,H1,HOH

H2,HOH
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: HOH
chem comp atom.atom id: H2
chem comp atom.comp id: HOH
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O,H2,HOH

N,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: N
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,ILE
referenced by chem comp bond: N,CA,ILE
referenced by chem comp bond: N,H,ILE

CA,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: CA
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,ILE
referenced by chem comp bond: N,CA,ILE
referenced by chem comp bond: CA,C,ILE
referenced by chem comp bond: CA,CB,ILE

C,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: C
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,ILE
referenced by chem comp bond: CA,C,ILE
referenced by chem comp bond: C,O,ILE

O,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: O
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,ILE

CB,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: CB
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,ILE
referenced by chem comp bond: CA,CB,ILE
referenced by chem comp bond: CB,CG1,ILE
referenced by chem comp bond: CB,CG2,ILE

CG1,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: CG1
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG1,HG13,ILE
referenced by chem comp bond: CB,CG1,ILE
referenced by chem comp bond: CG1,CD1,ILE
referenced by chem comp bond: CG1,HG12,ILE

CG2,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: CG2
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG2,HG23,ILE
referenced by chem comp bond: CB,CG2,ILE
referenced by chem comp bond: CG2,HG21,ILE
referenced by chem comp bond: CG2,HG22,ILE

CD1,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: CD1
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD13,ILE
referenced by chem comp bond: CG1,CD1,ILE
referenced by chem comp bond: CD1,HD11,ILE
referenced by chem comp bond: CD1,HD12,ILE

OXT,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: OXT
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,ILE
referenced by chem comp bond: C,OXT,ILE

H,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: H
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,ILE

H2,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: H2
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,ILE

HA,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HA
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,ILE

HB,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HB
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,ILE

HG12,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HG12
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG1,HG12,ILE

HG13,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HG13
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG1,HG13,ILE

HG21,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HG21
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG21,ILE

HG22,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HG22
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG22,ILE

HG23,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HG23
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG23,ILE

HD11,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HD11
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD11,ILE

HD12,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HD12
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD12,ILE

HD13,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HD13
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD13,ILE

HXT,ILE
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
chem comp atom.atom id: HXT
chem comp atom.comp id: ILE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,ILE

C1,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: C1
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C1,H13,IPA
referenced by chem comp bond: C1,C2,IPA
referenced by chem comp bond: C1,H11,IPA
referenced by chem comp bond: C1,H12,IPA

C2,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: C2
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C2,H2,IPA
referenced by chem comp bond: C1,C2,IPA
referenced by chem comp bond: C2,C3,IPA
referenced by chem comp bond: C2,O2,IPA

C3,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: C3
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C3,H33,IPA
referenced by chem comp bond: C2,C3,IPA
referenced by chem comp bond: C3,H31,IPA
referenced by chem comp bond: C3,H32,IPA

O2,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: O2
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O2,HO2,IPA
referenced by chem comp bond: C2,O2,IPA

H11,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: H11
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C1,H11,IPA

H12,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: H12
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C1,H12,IPA

H13,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: H13
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C1,H13,IPA

H2,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: H2
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C2,H2,IPA

H31,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: H31
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C3,H31,IPA

H32,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: H32
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C3,H32,IPA

H33,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: H33
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C3,H33,IPA

HO2,IPA
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: IPA
chem comp atom.atom id: HO2
chem comp atom.comp id: IPA
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O2,HO2,IPA

N,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: N
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 62
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,MET
referenced by chem comp bond: N,CA,MET
referenced by chem comp bond: N,H,MET

CA,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: CA
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 63
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,MET
referenced by chem comp bond: N,CA,MET
referenced by chem comp bond: CA,C,MET
referenced by chem comp bond: CA,CB,MET

C,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: C
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 64
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,MET
referenced by chem comp bond: CA,C,MET
referenced by chem comp bond: C,O,MET

O,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: O
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 65
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,MET

CB,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: CB
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 66
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,MET
referenced by chem comp bond: CA,CB,MET
referenced by chem comp bond: CB,CG,MET
referenced by chem comp bond: CB,HB2,MET

CG,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: CG
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 67
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,MET
referenced by chem comp bond: CB,CG,MET
referenced by chem comp bond: CG,SD,MET
referenced by chem comp bond: CG,HG2,MET

SD,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: SD
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 68
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: SD,CE,MET
referenced by chem comp bond: CG,SD,MET

CE,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: CE
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 69
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE,HE3,MET
referenced by chem comp bond: SD,CE,MET
referenced by chem comp bond: CE,HE1,MET
referenced by chem comp bond: CE,HE2,MET

OXT,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: OXT
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 70
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,MET
referenced by chem comp bond: C,OXT,MET

H,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: H
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 71
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,MET

H2,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: H2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 72
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,MET

HA,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HA
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 73
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,MET

HB2,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HB2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 74
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,MET

HB3,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HB3
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 75
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,MET

HG2,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HG2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 76
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,MET

HG3,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HG3
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 77
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,MET

HE1,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HE1
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 78
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE1,MET

HE2,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HE2
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 79
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE2,MET

HE3,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HE3
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 80
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE3,MET

HXT,MET
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
chem comp atom.atom id: HXT
chem comp atom.comp id: MET
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 81
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,MET

N,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: N
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 82
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,SER
referenced by chem comp bond: N,CA,SER
referenced by chem comp bond: N,H,SER

CA,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: CA
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 83
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,SER
referenced by chem comp bond: N,CA,SER
referenced by chem comp bond: CA,C,SER
referenced by chem comp bond: CA,CB,SER

C,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: C
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 84
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,SER
referenced by chem comp bond: CA,C,SER
referenced by chem comp bond: C,O,SER

O,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: O
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 85
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,SER

CB,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: CB
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 86
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,SER
referenced by chem comp bond: CA,CB,SER
referenced by chem comp bond: CB,OG,SER
referenced by chem comp bond: CB,HB2,SER

OG,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: OG
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 87
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OG,HG,SER
referenced by chem comp bond: CB,OG,SER

OXT,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: OXT
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 88
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,SER
referenced by chem comp bond: C,OXT,SER

H,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: H
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 89
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,SER

H2,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: H2
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 90
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,SER

HA,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: HA
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 91
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,SER

HB2,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: HB2
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 92
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,SER

HB3,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: HB3
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 93
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,SER

HG,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: HG
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 94
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OG,HG,SER

HXT,SER
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
chem comp atom.atom id: HXT
chem comp atom.comp id: SER
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 95
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,SER

N,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: N
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 96
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: N,H,THR

CA,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: CA
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 97
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: CA,CB,THR

C,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: C
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 98
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: C,O,THR

O,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: O
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 99
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,THR

CB,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: CB
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 100
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,THR
referenced by chem comp bond: CA,CB,THR
referenced by chem comp bond: CB,OG1,THR
referenced by chem comp bond: CB,CG2,THR

OG1,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: OG1
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 101
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OG1,HG1,THR
referenced by chem comp bond: CB,OG1,THR

CG2,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: CG2
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 102
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG2,HG23,THR
referenced by chem comp bond: CB,CG2,THR
referenced by chem comp bond: CG2,HG21,THR
referenced by chem comp bond: CG2,HG22,THR

OXT,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: OXT
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 103
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,THR
referenced by chem comp bond: C,OXT,THR

H,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: H
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 104
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,THR

H2,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: H2
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 105
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,THR

HA,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: HA
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 106
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,THR

HB,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: HB
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 107
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,THR

HG1,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: HG1
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 108
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OG1,HG1,THR

HG21,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: HG21
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 109
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG21,THR

HG22,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: HG22
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 110
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG22,THR

HG23,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: HG23
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 111
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG23,THR

HXT,THR
type: chem comp atom
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
chem comp atom.atom id: HXT
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 112
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,THR

N,CA,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,CYS
reference to chem comp atom: CA,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,CYS
reference to chem comp atom: H,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,CYS
reference to chem comp atom: H2,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,CYS
reference to chem comp atom: C,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,CYS
reference to chem comp atom: CB,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,CYS
reference to chem comp atom: HA,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,CYS
reference to chem comp atom: O,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,CYS
reference to chem comp atom: OXT,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,SG,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,CYS
reference to chem comp atom: SG,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: SG
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,CYS
reference to chem comp atom: HB2,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,CYS
reference to chem comp atom: HB3,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

SG,HG,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: SG,CYS
reference to chem comp atom: HG,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: SG
chem comp bond.atom id 2: HG
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,CYS
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OXT,CYS
reference to chem comp atom: HXT,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,GLY
reference to chem comp atom: CA,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,GLY
reference to chem comp atom: H,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,GLY
reference to chem comp atom: H2,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,GLY
reference to chem comp atom: C,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA2,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,GLY
reference to chem comp atom: HA2,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA2
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA3,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,GLY
reference to chem comp atom: HA3,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA3
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,GLY
reference to chem comp atom: O,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,GLY
reference to chem comp atom: OXT,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,GLY
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OXT,GLY
reference to chem comp atom: HXT,GLY
reference to chem comp: GLY
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: GLY
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,H1,HOH
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: O,HOH
reference to chem comp atom: H1,HOH
reference to chem comp: HOH
chem comp bond.atom id 1: O
chem comp bond.atom id 2: H1
chem comp bond.comp id: HOH
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,H2,HOH
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: O,HOH
reference to chem comp atom: H2,HOH
reference to chem comp: HOH
chem comp bond.atom id 1: O
chem comp bond.atom id 2: H2
chem comp bond.comp id: HOH
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,ILE
reference to chem comp atom: CA,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,ILE
reference to chem comp atom: H,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,ILE
reference to chem comp atom: H2,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,ILE
reference to chem comp atom: C,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,ILE
reference to chem comp atom: CB,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,ILE
reference to chem comp atom: HA,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,ILE
reference to chem comp atom: O,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,ILE
reference to chem comp atom: OXT,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG1,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,ILE
reference to chem comp atom: CG1,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG1
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,ILE
reference to chem comp atom: CG2,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,ILE
reference to chem comp atom: HB,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,CD1,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG1,ILE
reference to chem comp atom: CD1,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: CD1
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG12,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG1,ILE
reference to chem comp atom: HG12,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG12
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG1,HG13,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG1,ILE
reference to chem comp atom: HG13,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG1
chem comp bond.atom id 2: HG13
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG2,ILE
reference to chem comp atom: HG21,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG2,ILE
reference to chem comp atom: HG22,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG2,ILE
reference to chem comp atom: HG23,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD11,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CD1,ILE
reference to chem comp atom: HD11,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD11
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD12,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CD1,ILE
reference to chem comp atom: HD12,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD12
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD13,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CD1,ILE
reference to chem comp atom: HD13,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD13
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,ILE
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OXT,ILE
reference to chem comp atom: HXT,ILE
reference to chem comp: ILE
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: ILE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C2,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C1,IPA
reference to chem comp atom: C2,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H11,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C1,IPA
reference to chem comp atom: H11,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H11
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H12,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C1,IPA
reference to chem comp atom: H12,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H12
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H13,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C1,IPA
reference to chem comp atom: H13,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H13
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C3,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C2,IPA
reference to chem comp atom: C3,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,O2,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C2,IPA
reference to chem comp atom: O2,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: O2
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,H2,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C2,IPA
reference to chem comp atom: H2,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H31,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C3,IPA
reference to chem comp atom: H31,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H31
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H32,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C3,IPA
reference to chem comp atom: H32,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H32
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H33,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C3,IPA
reference to chem comp atom: H33,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H33
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O2,HO2,IPA
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: O2,IPA
reference to chem comp atom: HO2,IPA
reference to chem comp: IPA
chem comp bond.atom id 1: O2
chem comp bond.atom id 2: HO2
chem comp bond.comp id: IPA
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,MET
reference to chem comp atom: CA,MET
reference to chem comp: MET
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,MET
reference to chem comp atom: H,MET
reference to chem comp: MET
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,MET
reference to chem comp atom: H2,MET
reference to chem comp: MET
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,MET
reference to chem comp atom: C,MET
reference to chem comp: MET
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,MET
reference to chem comp atom: CB,MET
reference to chem comp: MET
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,MET
reference to chem comp atom: HA,MET
reference to chem comp: MET
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 62
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,MET
reference to chem comp atom: O,MET
reference to chem comp: MET
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 63
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,MET
reference to chem comp atom: OXT,MET
reference to chem comp: MET
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 64
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,MET
reference to chem comp atom: CG,MET
reference to chem comp: MET
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 65
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,MET
reference to chem comp atom: HB2,MET
reference to chem comp: MET
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 66
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,MET
reference to chem comp atom: HB3,MET
reference to chem comp: MET
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 67
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,SD,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG,MET
reference to chem comp atom: SD,MET
reference to chem comp: MET
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: SD
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 68
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG,MET
reference to chem comp atom: HG2,MET
reference to chem comp: MET
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 69
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG,MET
reference to chem comp atom: HG3,MET
reference to chem comp: MET
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 70
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

SD,CE,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: SD,MET
reference to chem comp atom: CE,MET
reference to chem comp: MET
chem comp bond.atom id 1: SD
chem comp bond.atom id 2: CE
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 71
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE1,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CE,MET
reference to chem comp atom: HE1,MET
reference to chem comp: MET
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE1
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 72
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE2,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CE,MET
reference to chem comp atom: HE2,MET
reference to chem comp: MET
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE2
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 73
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE3,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CE,MET
reference to chem comp atom: HE3,MET
reference to chem comp: MET
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE3
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 74
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,MET
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OXT,MET
reference to chem comp atom: HXT,MET
reference to chem comp: MET
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: MET
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 75
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,SER
reference to chem comp atom: CA,SER
reference to chem comp: SER
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 76
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,SER
reference to chem comp atom: H,SER
reference to chem comp: SER
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 77
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,SER
reference to chem comp atom: H2,SER
reference to chem comp: SER
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 78
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,SER
reference to chem comp atom: C,SER
reference to chem comp: SER
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 79
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,SER
reference to chem comp atom: CB,SER
reference to chem comp: SER
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 80
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,SER
reference to chem comp atom: HA,SER
reference to chem comp: SER
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 81
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,SER
reference to chem comp atom: O,SER
reference to chem comp: SER
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 82
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,SER
reference to chem comp atom: OXT,SER
reference to chem comp: SER
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 83
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,SER
reference to chem comp atom: OG,SER
reference to chem comp: SER
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 84
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,SER
reference to chem comp atom: HB2,SER
reference to chem comp: SER
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 85
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,SER
reference to chem comp atom: HB3,SER
reference to chem comp: SER
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 86
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG,HG,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OG,SER
reference to chem comp atom: HG,SER
reference to chem comp: SER
chem comp bond.atom id 1: OG
chem comp bond.atom id 2: HG
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 87
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,SER
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OXT,SER
reference to chem comp atom: HXT,SER
reference to chem comp: SER
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: SER
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 88
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,THR
reference to chem comp atom: CA,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 89
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,THR
reference to chem comp atom: H,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 90
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: N,THR
reference to chem comp atom: H2,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 91
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,THR
reference to chem comp atom: C,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 92
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,THR
reference to chem comp atom: CB,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 93
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CA,THR
reference to chem comp atom: HA,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 94
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,THR
reference to chem comp atom: O,THR
reference to chem comp: THR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 95
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: C,THR
reference to chem comp atom: OXT,THR
reference to chem comp: THR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 96
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG1,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,THR
reference to chem comp atom: OG1,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG1
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 97
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,THR
reference to chem comp atom: CG2,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 98
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CB,THR
reference to chem comp atom: HB,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 99
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG1,HG1,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OG1,THR
reference to chem comp atom: HG1,THR
reference to chem comp: THR
chem comp bond.atom id 1: OG1
chem comp bond.atom id 2: HG1
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 100
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG21,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 101
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG22,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 102
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG23,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 103
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,THR
type: chem comp bond
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp atom: OXT,THR
reference to chem comp atom: HXT,THR
reference to chem comp: THR
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 104
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

primary
type: citation
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
citation.id: primary
citation.country: US
citation.journal abbrev: Nat.Struct.Mol.Biol.
citation.journal id ISSN: 1545-9985
citation.journal volume: 29
citation.page first: 529
citation.page last: 536
citation.pdbx database id DOI: 10.1038/s41594-022-00774-y
citation.pdbx database id pub med: 35637421
citation.title: Identifying amyloid-related diseases by mapping mutations in low-complexity protein domains to pathologies.
citation.year: 2022
link to doi: doi:10.1038/s41594-022-00774-y
link to pubmed: pubmed:35637421
references: pubmed:35637421
referenced by citation author: primary,Eisenberg, D.S.,9
referenced by citation author: primary,Murray, K.A.,1
referenced by citation author: primary,Hughes, M.P.,2
referenced by citation author: primary,Hu, C.J.,3
referenced by citation author: primary,Sawaya, M.R.,4
referenced by citation author: primary,Salwinski, L.,5
referenced by citation author: primary,Pan, H.,6
referenced by citation author: primary,French, S.W.,7
referenced by citation author: primary,Seidler, P.M.,8

primary,Murray, K.A.,1
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Murray, K.A.
citation author.ordinal: 1

primary,Hughes, M.P.,2
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Hughes, M.P.
citation author.ordinal: 2

primary,Hu, C.J.,3
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Hu, C.J.
citation author.ordinal: 3

primary,Sawaya, M.R.,4
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Sawaya, M.R.
citation author.ordinal: 4

primary,Salwinski, L.,5
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Salwinski, L.
citation author.ordinal: 5

primary,Pan, H.,6
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Pan, H.
citation author.ordinal: 6

primary,French, S.W.,7
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: French, S.W.
citation author.ordinal: 7

primary,Seidler, P.M.,8
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Seidler, P.M.
citation author.ordinal: 8

primary,Eisenberg, D.S.,9
type: citation author
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to citation: primary
citation author.citation id: primary
citation author.name: Eisenberg, D.S.
citation author.ordinal: 9

7K3X,PDB
type: database 2
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
database 2.database code: 7K3X
database 2.database id: PDB
database 2.pdbx DOI: 10.2210/pdb7k3x/pdb
database 2.pdbx database accession: pdb_00007k3x

D 1000251833,WWPDB
type: database 2
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
database 2.database code: D_1000251833
database 2.database id: WWPDB

http://rdf.wwpdb.org/pdb/7K3X/diffrn/1
type: diffrn
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to exptl crystal: http://rdf.wwpdb.org/pdb/7K3X/exptl_crystal/1
diffrn.id: 1
diffrn.ambient temp: 100
diffrn.crystal id: 1
diffrn.pdbx serial crystal experiment: N
referenced by diffrn detector: http://rdf.wwpdb.org/pdb/7K3X/diffrn_detector/1
referenced by diffrn radiation: http://rdf.wwpdb.org/pdb/7K3X/diffrn_radiation/1
referenced by diffrn source: http://rdf.wwpdb.org/pdb/7K3X/diffrn_source/1

http://rdf.wwpdb.org/pdb/7K3X/exptl_crystal/1
referenced by diffrn: http://rdf.wwpdb.org/pdb/7K3X/diffrn/1
type: exptl crystal
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
exptl crystal.id: 1
exptl crystal.density matthews: 1.65
exptl crystal.density percent sol: 25.32
referenced by exptl crystal grow: http://rdf.wwpdb.org/pdb/7K3X/exptl_crystal_grow/1

http://rdf.wwpdb.org/pdb/7K3X/diffrn_detector/1
type: diffrn detector
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to diffrn: http://rdf.wwpdb.org/pdb/7K3X/diffrn/1
diffrn detector.diffrn id: 1
diffrn detector.detector: PIXEL
diffrn detector.pdbx collection date: 2018-06-26
diffrn detector.type: DECTRIS PILATUS 6M-F

http://rdf.wwpdb.org/pdb/7K3X/diffrn_radiation/1
type: diffrn radiation
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to diffrn: http://rdf.wwpdb.org/pdb/7K3X/diffrn/1
diffrn radiation.diffrn id: 1
diffrn radiation.pdbx diffrn protocol: SINGLE WAVELENGTH
diffrn radiation.pdbx monochromatic or laue m l: M
diffrn radiation.pdbx scattering type: x-ray
diffrn radiation.wavelength id: 1

http://rdf.wwpdb.org/pdb/7K3X/diffrn_radiation_wavelength/1
type: diffrn radiation wavelength
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
diffrn radiation wavelength.id: 1
diffrn radiation wavelength.wavelength: 0.9791
diffrn radiation wavelength.wt: 1

http://rdf.wwpdb.org/pdb/7K3X/diffrn_source/1
type: diffrn source
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to diffrn: http://rdf.wwpdb.org/pdb/7K3X/diffrn/1
diffrn source.diffrn id: 1
diffrn source.pdbx synchrotron beamline: 24-ID-C
diffrn source.pdbx synchrotron site: APS
diffrn source.pdbx wavelength list: 0.9791
diffrn source.source: SYNCHROTRON
diffrn source.type: APS BEAMLINE 24-ID-C

http://rdf.wwpdb.org/pdb/7K3X/entity/1
type: entity
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
entity.id: 1
entity.formula weight: 667.797
entity.pdbx description: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/7K3X/struct_ref/1
referenced by pdbx entity src syn: 1,1

http://rdf.wwpdb.org/pdb/7K3X/entity/2
type: entity
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
entity.id: 2
entity.formula weight: 60.095
entity.pdbx description: ISOPROPYL ALCOHOL
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: non-polymer
referenced by struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/B
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_entity_nonpoly/2

http://rdf.wwpdb.org/pdb/7K3X/entity/3
type: entity
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
entity.id: 3
entity.formula weight: 18.015
entity.pdbx description: water
entity.pdbx number of molecules: 1
entity.src method: nat
entity.type: water
referenced by struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/C
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_entity_nonpoly/3

http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
type: entity poly
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: no
entity poly.pdbx seq one letter code: SGMGCIT
entity poly.pdbx seq one letter code can: SGMGCIT
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,THR,7
referenced by entity poly seq: 1,SER,1
referenced by entity poly seq: 1,GLY,2
referenced by entity poly seq: 1,MET,3
referenced by entity poly seq: 1,GLY,4
referenced by entity poly seq: 1,CYS,5
referenced by entity poly seq: 1,ILE,6

1,SER,1
type: entity poly seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: SER
reference to entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: SER
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,SER,1

1,GLY,2
type: entity poly seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,2

1,MET,3
type: entity poly seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: MET
reference to entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MET
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MET,3

1,GLY,4
type: entity poly seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,4

1,CYS,5
type: entity poly seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,5

1,ILE,6
type: entity poly seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,6

1,THR,7
type: entity poly seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/7K3X/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THR,7

7K3X,X-RAY DIFFRACTION
type: exptl
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
exptl.entry id: 7K3X
exptl.method: X-RAY DIFFRACTION
exptl.crystals number: 1

http://rdf.wwpdb.org/pdb/7K3X/exptl_crystal_grow/1
type: exptl crystal grow
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to exptl crystal: http://rdf.wwpdb.org/pdb/7K3X/exptl_crystal/1
exptl crystal grow.crystal id: 1
exptl crystal grow.method: VAPOR DIFFUSION, HANGING DROP
exptl crystal grow.p h: 7.5
exptl crystal grow.pdbx details: 0.2M sodium citrate tribasic dehydrate, 0.1M HEPES (pH 7.5), 20% v/v 2-propanol
exptl crystal grow.temp: 298

Structure model,1,2
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 1
pdbx audit revision category.revision ordinal: 2
pdbx audit revision category.category: citation

Structure model,2
referenced by pdbx audit revision category: Structure model,1,2
referenced by pdbx audit revision category: Structure model,2,2
referenced by pdbx audit revision group: Structure model,1,2
type: pdbx audit revision history
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 2
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 1
pdbx audit revision history.revision date: 2022-06-01
referenced by pdbx audit revision item: Structure model,6,2
referenced by pdbx audit revision item: Structure model,1,2
referenced by pdbx audit revision item: Structure model,2,2
referenced by pdbx audit revision item: Structure model,3,2
referenced by pdbx audit revision item: Structure model,4,2
referenced by pdbx audit revision item: Structure model,5,2

Structure model,2,2
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 2
pdbx audit revision category.revision ordinal: 2
pdbx audit revision category.category: citation_author

Structure model,3,3
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,3
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 3
pdbx audit revision category.revision ordinal: 3
pdbx audit revision category.category: citation

Structure model,3
referenced by pdbx audit revision category: Structure model,3,3
referenced by pdbx audit revision category: Structure model,4,3
referenced by pdbx audit revision group: Structure model,2,3
type: pdbx audit revision history
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 3
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 2
pdbx audit revision history.revision date: 2022-06-15
referenced by pdbx audit revision item: Structure model,10,3
referenced by pdbx audit revision item: Structure model,7,3
referenced by pdbx audit revision item: Structure model,8,3
referenced by pdbx audit revision item: Structure model,9,3

Structure model,4,3
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,3
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 4
pdbx audit revision category.revision ordinal: 3
pdbx audit revision category.category: citation_author

Structure model,5,4
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 5
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: atom_type

Structure model,4
referenced by pdbx audit revision category: Structure model,5,4
referenced by pdbx audit revision category: Structure model,6,4
referenced by pdbx audit revision group: Structure model,3,4
referenced by pdbx audit revision group: Structure model,4,4
type: pdbx audit revision history
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 4
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 3
pdbx audit revision history.revision date: 2022-07-06
referenced by pdbx audit revision item: Structure model,15,4
referenced by pdbx audit revision item: Structure model,11,4
referenced by pdbx audit revision item: Structure model,12,4
referenced by pdbx audit revision item: Structure model,13,4
referenced by pdbx audit revision item: Structure model,14,4

Structure model,6,4
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 6
pdbx audit revision category.revision ordinal: 4
pdbx audit revision category.category: citation

Structure model,7,5
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,5
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 7
pdbx audit revision category.revision ordinal: 5
pdbx audit revision category.category: chem_comp_atom

Structure model,5
referenced by pdbx audit revision category: Structure model,7,5
referenced by pdbx audit revision category: Structure model,8,5
referenced by pdbx audit revision category: Structure model,9,5
referenced by pdbx audit revision group: Structure model,5,5
referenced by pdbx audit revision group: Structure model,6,5
type: pdbx audit revision history
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 5
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 4
pdbx audit revision history.revision date: 2024-04-03

Structure model,8,5
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,5
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 8
pdbx audit revision category.revision ordinal: 5
pdbx audit revision category.category: chem_comp_bond

Structure model,9,5
type: pdbx audit revision category
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,5
pdbx audit revision category.data content type: Structure model
pdbx audit revision category.ordinal: 9
pdbx audit revision category.revision ordinal: 5
pdbx audit revision category.category: pdbx_initial_refinement_model

Structure model,1,1
type: pdbx audit revision details
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,1
pdbx audit revision details.data content type: Structure model
pdbx audit revision details.ordinal: 1
pdbx audit revision details.revision ordinal: 1
pdbx audit revision details.provider: repository
pdbx audit revision details.type: Initial release

Structure model,1
referenced by pdbx audit revision details: Structure model,1,1
type: pdbx audit revision history
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 1
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 0
pdbx audit revision history.revision date: 2021-11-10

Structure model,1,2
type: pdbx audit revision group
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 1
pdbx audit revision group.revision ordinal: 2
pdbx audit revision group.group: Database references

Structure model,2,3
type: pdbx audit revision group
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,3
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 2
pdbx audit revision group.revision ordinal: 3
pdbx audit revision group.group: Database references

Structure model,3,4
type: pdbx audit revision group
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 3
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Database references

Structure model,4,4
type: pdbx audit revision group
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 4
pdbx audit revision group.revision ordinal: 4
pdbx audit revision group.group: Derived calculations

Structure model,5,5
type: pdbx audit revision group
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,5
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 5
pdbx audit revision group.revision ordinal: 5
pdbx audit revision group.group: Data collection

Structure model,6,5
type: pdbx audit revision group
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,5
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 6
pdbx audit revision group.revision ordinal: 5
pdbx audit revision group.group: Refinement description

Structure model,1,2
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 1
pdbx audit revision item.revision ordinal: 2
pdbx audit revision item.item: _citation.country

Structure model,2,2
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 2
pdbx audit revision item.revision ordinal: 2
pdbx audit revision item.item: _citation.journal_abbrev

Structure model,3,2
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 3
pdbx audit revision item.revision ordinal: 2
pdbx audit revision item.item: _citation.journal_id_CSD

Structure model,4,2
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 4
pdbx audit revision item.revision ordinal: 2
pdbx audit revision item.item: _citation.journal_id_ISSN

Structure model,5,2
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 5
pdbx audit revision item.revision ordinal: 2
pdbx audit revision item.item: _citation.pdbx_database_id_DOI

Structure model,6,2
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,2
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 6
pdbx audit revision item.revision ordinal: 2
pdbx audit revision item.item: _citation.year

Structure model,7,3
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 7
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _citation.pdbx_database_id_PubMed

Structure model,8,3
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 8
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _citation.title

Structure model,9,3
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 9
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _citation_author.identifier_ORCID

Structure model,10,3
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,3
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 10
pdbx audit revision item.revision ordinal: 3
pdbx audit revision item.item: _citation_author.name

Structure model,11,4
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 11
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _atom_type.pdbx_N_electrons

Structure model,12,4
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 12
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _atom_type.pdbx_scat_Z

Structure model,13,4
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 13
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _citation.journal_volume

Structure model,14,4
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 14
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _citation.page_first

Structure model,15,4
type: pdbx audit revision item
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx audit revision history: Structure model,4
pdbx audit revision item.data content type: Structure model
pdbx audit revision item.ordinal: 15
pdbx audit revision item.revision ordinal: 4
pdbx audit revision item.item: _citation.page_last

http://rdf.wwpdb.org/pdb/7K3X/pdbx_audit_support/1
type: pdbx audit support
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx audit support.ordinal: 1
pdbx audit support.country: United States
pdbx audit support.funding organization: National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
pdbx audit support.grant number: P30 GM124165

unspecified,7K3C,PDB
type: pdbx database related
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx database related.content type: unspecified
pdbx database related.db id: 7K3C
pdbx database related.db name: PDB
pdbx database related.details: 7K3C contains the wild type sequence

7K3X
type: pdbx database status
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
pdbx database status.entry id: 7K3X
pdbx database status.sg entry: N
pdbx database status.deposit site: RCSB
pdbx database status.pdb format compatible: Y
pdbx database status.process site: RCSB
pdbx database status.recvd initial deposition date: 2020-09-14
pdbx database status.status code: REL
pdbx database status.status code sf: REL

http://rdf.wwpdb.org/pdb/7K3X/pdbx_entity_nonpoly/2
type: pdbx entity nonpoly
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/2
pdbx entity nonpoly.entity id: 2
pdbx entity nonpoly.comp id: IPA
pdbx entity nonpoly.name: ISOPROPYL ALCOHOL

http://rdf.wwpdb.org/pdb/7K3X/pdbx_entity_nonpoly/3
type: pdbx entity nonpoly
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/3
pdbx entity nonpoly.entity id: 3
pdbx entity nonpoly.comp id: HOH
pdbx entity nonpoly.name: water

1,1
type: pdbx entity src syn
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/1
pdbx entity src syn.entity id: 1
pdbx entity src syn.pdbx src id: 1
pdbx entity src syn.ncbi taxonomy id: 9606
pdbx entity src syn.organism scientific: Homo sapiens
pdbx entity src syn.pdbx alt source flag: sample
pdbx entity src syn.pdbx beg seq num: 1
pdbx entity src syn.pdbx end seq num: 7

7K3X
type: pdbx entry details
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
pdbx entry details.entry id: 7K3X
pdbx entry details.has ligand of interest: N

http://rdf.wwpdb.org/pdb/7K3X/pdbx_initial_refinement_model/1
type: pdbx initial refinement model
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx initial refinement model.id: 1
pdbx initial refinement model.details: ideal beta strand
pdbx initial refinement model.source name: Other
pdbx initial refinement model.type: in silico model

B,1
type: pdbx nonpoly scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: IPA
pdbx nonpoly scheme.auth seq num: 1
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: IPA
pdbx nonpoly scheme.pdb mon id: IPA
pdbx nonpoly scheme.pdb seq num: 101
pdbx nonpoly scheme.pdb strand id: A

C,1
type: pdbx nonpoly scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx nonpoly scheme.asym id: C
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2
pdbx nonpoly scheme.entity id: 3
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 201
pdbx nonpoly scheme.pdb strand id: A

7K3X
type: pdbx phasing MR
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx phasing MR.entry id: 7K3X
pdbx phasing MR.d res high rotation: 1.71
pdbx phasing MR.d res high translation: 1.71
pdbx phasing MR.d res low rotation: 23.09
pdbx phasing MR.d res low translation: 23.09
pdbx phasing MR.model details: Phaser MODE: MR_AUTO

A,1,SER,1
type: pdbx poly seq scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity poly seq: 1,SER,1
reference to struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: SER
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: SER
pdbx poly seq scheme.auth seq num: 58
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: SER
pdbx poly seq scheme.pdb seq num: 58
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
referenced by pdbx poly seq scheme: A,1,SER,1
referenced by pdbx poly seq scheme: A,1,GLY,2
referenced by pdbx poly seq scheme: A,1,MET,3
referenced by pdbx poly seq scheme: A,1,GLY,4
referenced by pdbx poly seq scheme: A,1,CYS,5
referenced by pdbx poly seq scheme: A,1,ILE,6
referenced by pdbx poly seq scheme: A,1,THR,7
type: struct asym
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/1
struct asym.id: A
struct asym.entity id: 1
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

A,1,GLY,2
type: pdbx poly seq scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity poly seq: 1,GLY,2
reference to struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 59
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 59
pdbx poly seq scheme.pdb strand id: A

A,1,MET,3
type: pdbx poly seq scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity poly seq: 1,MET,3
reference to struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MET
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: MET
pdbx poly seq scheme.auth seq num: 60
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: MET
pdbx poly seq scheme.pdb seq num: 60
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,4
type: pdbx poly seq scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity poly seq: 1,GLY,4
reference to struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 61
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 61
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,5
type: pdbx poly seq scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity poly seq: 1,CYS,5
reference to struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 62
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 62
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,6
type: pdbx poly seq scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity poly seq: 1,ILE,6
reference to struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: ILE
pdbx poly seq scheme.auth seq num: 63
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: ILE
pdbx poly seq scheme.pdb seq num: 63
pdbx poly seq scheme.pdb strand id: A

A,1,THR,7
type: pdbx poly seq scheme
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity poly seq: 1,THR,7
reference to struct asym: http://rdf.wwpdb.org/pdb/7K3X/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 64
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 64
pdbx poly seq scheme.pdb strand id: A

1,1,H, K, L
type: pdbx reflns twin
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx reflns twin.crystal id: 1
pdbx reflns twin.diffrn id: 1
pdbx reflns twin.operator: H, K, L
pdbx reflns twin.domain id: 1
pdbx reflns twin.fraction: 0.5277
pdbx reflns twin.type: pseudo-merohedral

2,2,-H, -K, H+L
type: pdbx reflns twin
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx reflns twin.crystal id: 2
pdbx reflns twin.diffrn id: 2
pdbx reflns twin.operator: -H, -K, H+L
pdbx reflns twin.domain id: 2
pdbx reflns twin.fraction: 0.4723
pdbx reflns twin.type: pseudo-merohedral

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_defined_assembly
pdbx struct assembly.oligomeric count: 10
pdbx struct assembly.oligomeric details: decameric
referenced by pdbx struct assembly gen: 1,A,B,C,10
referenced by pdbx struct assembly auth evidence: 1,1
referenced by pdbx struct assembly gen: 1,A,B,C,1
referenced by pdbx struct assembly gen: 1,A,B,C,2
referenced by pdbx struct assembly gen: 1,A,B,C,3
referenced by pdbx struct assembly gen: 1,A,B,C,4
referenced by pdbx struct assembly gen: 1,A,B,C,5
referenced by pdbx struct assembly gen: 1,A,B,C,6
referenced by pdbx struct assembly gen: 1,A,B,C,7
referenced by pdbx struct assembly gen: 1,A,B,C,8
referenced by pdbx struct assembly gen: 1,A,B,C,9

1,1
type: pdbx struct assembly auth evidence
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly auth evidence.assembly id: 1
pdbx struct assembly auth evidence.id: 1
pdbx struct assembly auth evidence.experimental support: none

1,A,B,C,1
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 1

1,A,B,C,2
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 2

1,A,B,C,3
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 3

1,A,B,C,4
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 4

1,A,B,C,5
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 5

1,A,B,C,6
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 6

1,A,B,C,7
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 7

1,A,B,C,8
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 8

1,A,B,C,9
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 9

1,A,B,C,10
type: pdbx struct assembly gen
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B,C
pdbx struct assembly gen.oper expression: 10

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 1
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_555
pdbx struct oper list.symmetry operation: x,y,z
pdbx struct oper list.type: identity operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/2
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 2
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_455
pdbx struct oper list.symmetry operation: x-1,y,z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: -4.74
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/3
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 3
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_655
pdbx struct oper list.symmetry operation: x+1,y,z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 4.74
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/4
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 4
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_355
pdbx struct oper list.symmetry operation: x-2,y,z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: -9.48
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/5
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 5
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_755
pdbx struct oper list.symmetry operation: x+2,y,z
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 9.48
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/6
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 6
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_556
pdbx struct oper list.symmetry operation: x,y,z+1
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: -2.3816771651
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 10.0516920905

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/7
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 7
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_456
pdbx struct oper list.symmetry operation: x-1,y,z+1
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: -7.1216771651
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 10.0516920905

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/8
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 8
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_656
pdbx struct oper list.symmetry operation: x+1,y,z+1
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 2.3583228349
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 10.0516920905

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/9
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 9
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_356
pdbx struct oper list.symmetry operation: x-2,y,z+1
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: -11.8616771651
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 10.0516920905

http://rdf.wwpdb.org/pdb/7K3X/pdbx_struct_oper_list/10
type: pdbx struct oper list
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
pdbx struct oper list.id: 10
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_756
pdbx struct oper list.symmetry operation: x+2,y,z+1
pdbx struct oper list.type: crystal symmetry operation
pdbx struct oper list.vector1: 7.0983228349
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 10.0516920905

MR
type: phasing
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
phasing.method: MR

7K3X,X-RAY DIFFRACTION
type: refine
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
refine.entry id: 7K3X
refine.pdbx refine id: X-RAY DIFFRACTION
refine.b iso mean: 22.999
refine.aniso B11: -11.407
refine.aniso B12: 0
refine.aniso B13: -4.262
refine.aniso B22: 1.134
refine.aniso B23: 0
refine.aniso B33: 10.273
refine.correlation coeff fo to fc: 0.931
refine.correlation coeff fo to fc free: 0.924
refine.details: Hydrogens have been added in their riding positions
refine.ls r factor r free: 0.2481
refine.ls r factor r work: 0.2468
refine.ls r factor all: 0.247
refine.ls d res high: 1.705
refine.ls d res low: 23.086
refine.ls number reflns r free: 45
refine.ls number reflns r work: 403
refine.ls number reflns obs: 448
refine.ls percent reflns r free: 10.045
refine.ls percent reflns obs: 95.117
refine.overall SU b: 4.917
refine.overall SU ML: 0.136
refine.pdbx diffrn id: 1
refine.pdbx ls cross valid method: FREE R-VALUE
refine.pdbx method to determine struct: MOLECULAR REPLACEMENT
refine.pdbx overall ESU r: 0.045
refine.pdbx overall ESU r free: 0.032
refine.pdbx solvent ion probe radii: 0.8
refine.pdbx solvent shrinkage radii: 0.8
refine.pdbx solvent vdw probe radii: 1.2
refine.pdbx starting model: ideal beta strand
refine.solvent model details: MASK BULK SOLVENT

LAST,X-RAY DIFFRACTION
type: refine hist
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine hist.cycle id: LAST
refine hist.pdbx refine id: X-RAY DIFFRACTION
refine hist.d res high: 1.705
refine hist.d res low: 23.086
refine hist.number atoms solvent: 1
refine hist.number atoms total: 49
refine hist.pdbx number atoms ligand: 4
refine hist.pdbx number atoms nucleic acid: 0
refine hist.pdbx number atoms protein: 44

X-RAY DIFFRACTION,r bond refined d
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_bond_refined_d
refine ls restr.dev ideal: 0.011
refine ls restr.dev ideal target: 0.014
refine ls restr.number: 46

X-RAY DIFFRACTION,r bond other d
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_bond_other_d
refine ls restr.dev ideal: 0.061
refine ls restr.dev ideal target: 0.018
refine ls restr.number: 50

X-RAY DIFFRACTION,r angle refined deg
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_angle_refined_deg
refine ls restr.dev ideal: 1.908
refine ls restr.dev ideal target: 1.731
refine ls restr.number: 59

X-RAY DIFFRACTION,r angle other deg
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_angle_other_deg
refine ls restr.dev ideal: 1.593
refine ls restr.dev ideal target: 1.646
refine ls restr.number: 114

X-RAY DIFFRACTION,r dihedral angle 1 deg
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_dihedral_angle_1_deg
refine ls restr.dev ideal: 9.503
refine ls restr.dev ideal target: 5
refine ls restr.number: 6

X-RAY DIFFRACTION,r dihedral angle 3 deg
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_dihedral_angle_3_deg
refine ls restr.dev ideal: 17.662
refine ls restr.dev ideal target: 15
refine ls restr.number: 8

X-RAY DIFFRACTION,r chiral restr
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_chiral_restr
refine ls restr.dev ideal: 0.07
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 7

X-RAY DIFFRACTION,r gen planes refined
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_gen_planes_refined
refine ls restr.dev ideal: 0.005
refine ls restr.dev ideal target: 0.02
refine ls restr.number: 50

X-RAY DIFFRACTION,r gen planes other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_gen_planes_other
refine ls restr.dev ideal: 0
refine ls restr.dev ideal target: 0.02
refine ls restr.number: 6

X-RAY DIFFRACTION,r nbd refined
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_nbd_refined
refine ls restr.dev ideal: 0.083
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 1

X-RAY DIFFRACTION,r symmetry nbd other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_symmetry_nbd_other
refine ls restr.dev ideal: 0.203
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 25

X-RAY DIFFRACTION,r nbtor refined
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_nbtor_refined
refine ls restr.dev ideal: 0.137
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 18

X-RAY DIFFRACTION,r symmetry nbtor other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_symmetry_nbtor_other
refine ls restr.dev ideal: 0.077
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 28

X-RAY DIFFRACTION,r xyhbond nbd refined
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_xyhbond_nbd_refined
refine ls restr.dev ideal: 0.243
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 1

X-RAY DIFFRACTION,r symmetry nbd refined
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_symmetry_nbd_refined
refine ls restr.dev ideal: 0.237
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 7

X-RAY DIFFRACTION,r nbd other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_nbd_other
refine ls restr.dev ideal: 0.332
refine ls restr.dev ideal target: 0.2
refine ls restr.number: 20

X-RAY DIFFRACTION,r mcbond it
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_mcbond_it
refine ls restr.dev ideal: 4.788
refine ls restr.dev ideal target: 2.02
refine ls restr.number: 27

X-RAY DIFFRACTION,r mcbond other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_mcbond_other
refine ls restr.dev ideal: 4.858
refine ls restr.dev ideal target: 1.984
refine ls restr.number: 26

X-RAY DIFFRACTION,r mcangle it
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_mcangle_it
refine ls restr.dev ideal: 8.142
refine ls restr.dev ideal target: 3.003
refine ls restr.number: 28

X-RAY DIFFRACTION,r mcangle other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_mcangle_other
refine ls restr.dev ideal: 8.003
refine ls restr.dev ideal target: 3.061
refine ls restr.number: 29

X-RAY DIFFRACTION,r scbond it
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_scbond_it
refine ls restr.dev ideal: 12.934
refine ls restr.dev ideal target: 2.833
refine ls restr.number: 19

X-RAY DIFFRACTION,r scbond other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_scbond_other
refine ls restr.dev ideal: 12.609
refine ls restr.dev ideal target: 2.774
refine ls restr.number: 20

X-RAY DIFFRACTION,r scangle it
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_scangle_it
refine ls restr.dev ideal: 14.861
refine ls restr.dev ideal target: 4.13
refine ls restr.number: 26

X-RAY DIFFRACTION,r scangle other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_scangle_other
refine ls restr.dev ideal: 14.583
refine ls restr.dev ideal target: 4.05
refine ls restr.number: 27

X-RAY DIFFRACTION,r lrange it
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_lrange_it
refine ls restr.dev ideal: 18.747
refine ls restr.dev ideal target: 28.484
refine ls restr.number: 33

X-RAY DIFFRACTION,r lrange other
type: refine ls restr
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls restr.pdbx refine id: X-RAY DIFFRACTION
refine ls restr.type: r_lrange_other
refine ls restr.dev ideal: 18.717
refine ls restr.dev ideal target: 29.582
refine ls restr.number: 34

1.705,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 1.705
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r work: 0.374
refine ls shell.d res low: 1.749
refine ls shell.number reflns r work: 25
refine ls shell.percent reflns obs: 75.7576

1.749,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 1.749
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.625
refine ls shell.r factor r work: 0.342
refine ls shell.d res low: 1.797
refine ls shell.number reflns r free: 3
refine ls shell.number reflns r work: 24
refine ls shell.percent reflns obs: 100

1.797,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 1.797
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.143
refine ls shell.r factor r work: 0.425
refine ls shell.d res low: 1.849
refine ls shell.number reflns r free: 2
refine ls shell.number reflns r work: 26
refine ls shell.percent reflns obs: 100

1.849,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 1.849
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.005
refine ls shell.r factor r work: 0.344
refine ls shell.d res low: 1.905
refine ls shell.number reflns r free: 1
refine ls shell.number reflns r work: 24
refine ls shell.percent reflns obs: 100

1.905,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 1.905
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.172
refine ls shell.r factor r work: 0.235
refine ls shell.d res low: 1.967
refine ls shell.number reflns r free: 3
refine ls shell.number reflns r work: 32
refine ls shell.percent reflns obs: 94.5946

1.967,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 1.967
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.376
refine ls shell.r factor r work: 0.335
refine ls shell.d res low: 2.036
refine ls shell.number reflns r free: 6
refine ls shell.number reflns r work: 27
refine ls shell.percent reflns obs: 80.4878

2.036,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.036
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.195
refine ls shell.r factor r work: 0.16
refine ls shell.d res low: 2.112
refine ls shell.number reflns r free: 2
refine ls shell.number reflns r work: 27
refine ls shell.percent reflns obs: 100

2.112,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.112
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.094
refine ls shell.r factor r work: 0.247
refine ls shell.d res low: 2.198
refine ls shell.number reflns r free: 2
refine ls shell.number reflns r work: 26
refine ls shell.percent reflns obs: 100

2.198,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.198
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.446
refine ls shell.r factor r work: 0.23
refine ls shell.d res low: 2.295
refine ls shell.number reflns r free: 3
refine ls shell.number reflns r work: 22
refine ls shell.percent reflns obs: 100

2.295,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.295
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.633
refine ls shell.r factor r work: 0.336
refine ls shell.d res low: 2.405
refine ls shell.number reflns r free: 4
refine ls shell.number reflns r work: 31
refine ls shell.percent reflns obs: 100

2.405,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.405
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.415
refine ls shell.r factor r work: 0.216
refine ls shell.d res low: 2.534
refine ls shell.number reflns r free: 7
refine ls shell.number reflns r work: 18
refine ls shell.percent reflns obs: 96.1538

2.534,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.534
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r work: 0.358
refine ls shell.d res low: 2.686
refine ls shell.number reflns r free: 0
refine ls shell.number reflns r work: 13
refine ls shell.percent reflns obs: 92.8571

2.686,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.686
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r work: 0.301
refine ls shell.d res low: 2.868
refine ls shell.number reflns r free: 0
refine ls shell.number reflns r work: 15
refine ls shell.percent reflns obs: 93.75

2.868,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 2.868
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.063
refine ls shell.r factor r work: 0.273
refine ls shell.d res low: 3.094
refine ls shell.number reflns r free: 2
refine ls shell.number reflns r work: 23
refine ls shell.percent reflns obs: 100

3.094,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 3.094
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.751
refine ls shell.r factor r work: 0.245
refine ls shell.d res low: 3.383
refine ls shell.number reflns r free: 1
refine ls shell.number reflns r work: 17
refine ls shell.percent reflns obs: 100

3.383,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 3.383
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.13
refine ls shell.r factor r work: 0.141
refine ls shell.d res low: 3.773
refine ls shell.number reflns r free: 4
refine ls shell.number reflns r work: 11
refine ls shell.percent reflns obs: 100

3.773,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 3.773
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.219
refine ls shell.r factor r work: 0.151
refine ls shell.d res low: 4.337
refine ls shell.number reflns r free: 2
refine ls shell.number reflns r work: 17
refine ls shell.percent reflns obs: 95

4.337,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 4.337
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.185
refine ls shell.r factor r work: 0.117
refine ls shell.d res low: 5.265
refine ls shell.number reflns r free: 2
refine ls shell.number reflns r work: 15
refine ls shell.percent reflns obs: 100

5.265,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 5.265
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r work: 0.395
refine ls shell.d res low: 7.26
refine ls shell.number reflns r free: 0
refine ls shell.number reflns r work: 4
refine ls shell.percent reflns obs: 100

7.26,X-RAY DIFFRACTION
type: refine ls shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
refine ls shell.d res high: 7.26
refine ls shell.pdbx refine id: X-RAY DIFFRACTION
refine ls shell.r factor r free: 0.069
refine ls shell.r factor r work: 0.281
refine ls shell.d res low: 23.086
refine ls shell.number reflns r free: 1
refine ls shell.number reflns r work: 6
refine ls shell.percent reflns obs: 87.5

http://rdf.wwpdb.org/pdb/7K3X/reflns/1
type: reflns
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
reflns.pdbx ordinal: 1
reflns.d resolution high: 1.7
reflns.d resolution low: 100
reflns.entry id: 7K3X
reflns.number obs: 472
reflns.pdbx rmerge i obs: 0.192
reflns.pdbx rpim i all: 0.102
reflns.pdbx rrim i all: 0.219
reflns.pdbx chi squared: 2.04
reflns.pdbx diffrn id: 1
reflns.pdbx net i over sigma i: 4.3
reflns.pdbx number measured all: 2087
reflns.pdbx redundancy: 4.4
reflns.percent possible obs: 93.5

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/1
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 1
reflns shell.rmerge i obs: 0.947
reflns shell.d res high: 1.7
reflns shell.d res low: 1.76
reflns shell.number unique obs: 40
reflns shell.pdbx CC half: 0.026
reflns shell.pdbx rpim i all: 0.636
reflns shell.pdbx rrim i all: 1.149
reflns shell.pdbx chi squared: 1.84
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 2.6
reflns shell.percent possible all: 71.4

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/2
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 2
reflns shell.rmerge i obs: 0.829
reflns shell.d res high: 1.76
reflns shell.d res low: 1.83
reflns shell.number unique obs: 32
reflns shell.pdbx CC half: 0.567
reflns shell.pdbx rpim i all: 0.433
reflns shell.pdbx rrim i all: 0.937
reflns shell.pdbx chi squared: 1.492
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.8
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/3
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 3
reflns shell.rmerge i obs: 0.633
reflns shell.d res high: 1.83
reflns shell.d res low: 1.91
reflns shell.number unique obs: 51
reflns shell.pdbx CC half: 0.408
reflns shell.pdbx rpim i all: 0.371
reflns shell.pdbx rrim i all: 0.739
reflns shell.pdbx chi squared: 1.629
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.8
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/4
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 4
reflns shell.rmerge i obs: 0.338
reflns shell.d res high: 1.91
reflns shell.d res low: 2.02
reflns shell.number unique obs: 46
reflns shell.pdbx CC half: 0.783
reflns shell.pdbx rpim i all: 0.199
reflns shell.pdbx rrim i all: 0.395
reflns shell.pdbx chi squared: 1.465
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 3.7
reflns shell.percent possible all: 88.5

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/5
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 5
reflns shell.rmerge i obs: 0.325
reflns shell.d res high: 2.02
reflns shell.d res low: 2.14
reflns shell.number unique obs: 55
reflns shell.pdbx CC half: 0.973
reflns shell.pdbx rpim i all: 0.161
reflns shell.pdbx rrim i all: 0.364
reflns shell.pdbx chi squared: 2.009
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 4.5
reflns shell.percent possible all: 93.2

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/6
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 6
reflns shell.rmerge i obs: 0.297
reflns shell.d res high: 2.14
reflns shell.d res low: 2.31
reflns shell.number unique obs: 51
reflns shell.pdbx CC half: 0.972
reflns shell.pdbx rpim i all: 0.136
reflns shell.pdbx rrim i all: 0.328
reflns shell.pdbx chi squared: 1.639
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 6
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/7
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 7
reflns shell.rmerge i obs: 0.241
reflns shell.d res high: 2.31
reflns shell.d res low: 2.54
reflns shell.number unique obs: 54
reflns shell.pdbx CC half: 0.989
reflns shell.pdbx rpim i all: 0.121
reflns shell.pdbx rrim i all: 0.271
reflns shell.pdbx chi squared: 1.565
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 4.8
reflns shell.percent possible all: 98.2

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/8
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 8
reflns shell.rmerge i obs: 0.166
reflns shell.d res high: 2.54
reflns shell.d res low: 2.91
reflns shell.number unique obs: 32
reflns shell.pdbx CC half: 0.974
reflns shell.pdbx rpim i all: 0.124
reflns shell.pdbx rrim i all: 0.21
reflns shell.pdbx chi squared: 1.535
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 4.2
reflns shell.percent possible all: 91.4

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/9
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 9
reflns shell.rmerge i obs: 0.185
reflns shell.d res high: 2.91
reflns shell.d res low: 3.66
reflns shell.number unique obs: 55
reflns shell.pdbx CC half: 0.98
reflns shell.pdbx rpim i all: 0.094
reflns shell.pdbx rrim i all: 0.208
reflns shell.pdbx chi squared: 2.722
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 5
reflns shell.percent possible all: 100

http://rdf.wwpdb.org/pdb/7K3X/reflns_shell/10
type: reflns shell
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reflns shell.pdbx ordinal: 10
reflns shell.rmerge i obs: 0.123
reflns shell.d res high: 3.66
reflns shell.d res low: 100
reflns shell.number unique obs: 56
reflns shell.pdbx CC half: 0.976
reflns shell.pdbx rpim i all: 0.062
reflns shell.pdbx rrim i all: 0.139
reflns shell.pdbx chi squared: 3.441
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 4.8
reflns shell.percent possible all: 94.9

http://rdf.wwpdb.org/pdb/7K3X/software/1
type: software
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
software.pdbx ordinal: 1
software.classification: data reduction
software.contact author: Zbyszek Otwinowski
software.location: http://www.hkl-xray.com/
software.name: DENZO
software.type: program

http://rdf.wwpdb.org/pdb/7K3X/software/2
type: software
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
software.pdbx ordinal: 2
software.classification: data scaling
software.contact author: Zbyszek Otwinowski
software.location: http://www.hkl-xray.com/
software.name: SCALEPACK
software.type: program

http://rdf.wwpdb.org/pdb/7K3X/software/3
type: software
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
software.pdbx ordinal: 3
software.classification: phasing
software.contact author: Randy J. Read
software.date: Thu Apr 26 13:39:35 2018 (svn 8338) (git 7364, 1318674... )
software.location: http://www-structmed.cimr.cam.ac.uk/phaser/
software.name: PHASER
software.type: program
software.version: 2.8.2

http://rdf.wwpdb.org/pdb/7K3X/software/4
type: software
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
software.pdbx ordinal: 4
software.classification: refinement
software.contact author: Garib N. Murshudov
software.language: Fortran_77
software.location: http://www.ccp4.ac.uk/dist/html/refmac5.html
software.name: REFMAC
software.type: program
software.version: 5.8.0266

http://rdf.wwpdb.org/pdb/7K3X/software/5
type: software
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
software.pdbx ordinal: 5
software.classification: data extraction
software.contact author: PDB
software.date: Apr. 1, 2019
software.language: C++
software.location: http://sw-tools.pdb.org/apps/PDB_EXTRACT/
software.name: PDB_EXTRACT
software.type: package
software.version: 3.25

7K3X
type: struct
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
struct.entry id: 7K3X
struct.pdbx CASP flag: N
struct.title: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation

http://rdf.wwpdb.org/pdb/7K3X/struct_asym/B
type: struct asym
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/2
struct asym.id: B
struct asym.entity id: 2
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/7K3X/struct_asym/C
type: struct asym
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/3
struct asym.id: C
struct asym.entity id: 3
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

7K3X
type: struct keywords
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
struct keywords.entry id: 7K3X
struct keywords.pdbx keywords: PROTEIN FIBRIL
struct keywords.text: amyloid filament, low complexity sequence, cryptogenic liver disease, PROTEIN FIBRIL

http://rdf.wwpdb.org/pdb/7K3X/struct_ref/1
type: struct ref
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entity: http://rdf.wwpdb.org/pdb/7K3X/entity/1
struct ref.id: 1
struct ref.db code: 7K3X
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx align begin: 1
struct ref.pdbx db accession: 7K3X
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/7K3X/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/7K3X/struct_ref_seq/1
type: struct ref seq
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to struct ref: http://rdf.wwpdb.org/pdb/7K3X/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 58
struct ref seq.db align end: 64
struct ref seq.pdbx PDB id code: 7K3X
struct ref seq.pdbx auth seq align beg: 58
struct ref seq.pdbx auth seq align end: 64
struct ref seq.pdbx db accession: 7K3X
struct ref seq.pdbx strand id: A
struct ref seq.ref id: 1
struct ref seq.seq align beg: 1
struct ref seq.seq align end: 7

7K3X
type: symmetry
of datablock: SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
reference to entry: 7K3X
symmetry.entry id: 7K3X
symmetry.int tables number: 4
symmetry.space group name H-M: P 1 21 1