Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
type: datablock
alternative label: 8CTO
link to mmcif: 8CTO.cif.gz
link to pdbml: 8CTO.xml.gz
link to pdbml noatom: 8CTO-noatom.xml.gz
link to pdbml extatom: 8CTO-extatom.xml.gz
link to doi: doi:10.2210/pdb8CTO/pdb
datablock name: 8CTO-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 chem comp category: chem compCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has database 2 category: database 2Category
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 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 contact author category: pdbx contact authorCategory
has pdbx database related category: pdbx database relatedCategory
has pdbx database status category: pdbx database statusCategory
has pdbx entity src syn category: pdbx entity src synCategory
has pdbx entry details category: pdbx entry detailsCategory
has pdbx nmr ensemble category: pdbx nmr ensembleCategory
has pdbx nmr exptl category: pdbx nmr exptlCategory
has pdbx nmr exptl sample category: pdbx nmr exptl sampleCategory
has pdbx nmr exptl sample conditions category: pdbx nmr exptl sample conditionsCategory
has pdbx nmr refine category: pdbx nmr refineCategory
has pdbx nmr representative category: pdbx nmr representativeCategory
has pdbx nmr sample details category: pdbx nmr sample detailsCategory
has pdbx nmr software category: pdbx nmr softwareCategory
has pdbx nmr spectrometer category: pdbx nmr spectrometerCategory
has pdbx poly seq scheme category: pdbx poly seq schemeCategory
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 pdbx validate rmsd angle category: pdbx validate rmsd angleCategory
has pdbx validate torsion category: pdbx validate torsionCategory
has struct category: structCategory
has struct asym category: struct asymCategory
has struct conn category: struct connCategory
has struct conn type category: struct conn typeCategory
has struct keywords category: struct keywordsCategory
has struct mon prot cis category: struct mon prot cisCategory
has struct ref category: struct refCategory
has struct ref seq category: struct ref seqCategory

8CTO
type: atom sites
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
atom sites.entry id: 8CTO
atom sites.fract transf matrix11: 1
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 1
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 1
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

8CTO
referenced by atom sites: 8CTO
type: entry
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
entry.id: 8CTO
referenced by exptl: 8CTO,SOLUTION NMR
referenced by struct: 8CTO
referenced by struct keywords: 8CTO
referenced by pdbx database status: 8CTO
referenced by pdbx nmr ensemble: 8CTO
referenced by pdbx nmr representative: 8CTO
referenced by pdbx nmr refine: 8CTO,1
referenced by pdbx entry details: 8CTO

http://rdf.wwpdb.org/pdb/8CTO/atom_type/C
type: atom type
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
atom type.symbol: C

http://rdf.wwpdb.org/pdb/8CTO/atom_type/H
type: atom type
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
atom type.symbol: H

http://rdf.wwpdb.org/pdb/8CTO/atom_type/N
type: atom type
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
atom type.symbol: N

http://rdf.wwpdb.org/pdb/8CTO/atom_type/O
type: atom type
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
atom type.symbol: O

http://rdf.wwpdb.org/pdb/8CTO/audit_author/1
type: audit author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
audit author.pdbx ordinal: 1
audit author.identifier ORCID: 0000-0002-0335-1573
audit author.name: Ramelot, T.A.

http://rdf.wwpdb.org/pdb/8CTO/audit_author/2
type: audit author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
audit author.pdbx ordinal: 2
audit author.identifier ORCID: 0000-0003-2504-5988
audit author.name: Tejero, R.

http://rdf.wwpdb.org/pdb/8CTO/audit_author/3
type: audit author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
audit author.pdbx ordinal: 3
audit author.identifier ORCID: 0000-0002-9440-3059
audit author.name: Montelione, G.T.

mmcif pdbx.dic,5.361
type: audit conform
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.361
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

DAL
type: chem comp
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
chem comp.id: DAL
chem comp.formula: C3 H7 N O2
chem comp.formula weight: 89.093
chem comp.name: D-ALANINE
chem comp.type: D-peptide linking
link to chem comp: DAL
referenced by entity poly seq: 1,DAL,5
referenced by entity poly seq: 1,DAL,1

DPR
type: chem comp
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
chem comp.id: DPR
chem comp.formula: C5 H9 N O2
chem comp.formula weight: 115.13
chem comp.name: D-PROLINE
chem comp.type: D-peptide linking
link to chem comp: DPR
referenced by entity poly seq: 1,DPR,6
referenced by entity poly seq: 1,DPR,2

DVA
type: chem comp
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
chem comp.id: DVA
chem comp.formula: C5 H11 N O2
chem comp.formula weight: 117.146
chem comp.name: D-VALINE
chem comp.type: D-peptide linking
link to chem comp: DVA
referenced by entity poly seq: 1,DVA,8
referenced by entity poly seq: 1,DVA,4

MLU
type: chem comp
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
chem comp.id: MLU
chem comp.formula: C7 H15 N O2
chem comp.formula weight: 145.199
chem comp.name: N-methyl-D-leucine
chem comp.type: D-peptide linking
link to chem comp: MLU
referenced by entity poly seq: 1,MLU,7
referenced by entity poly seq: 1,MLU,3

primary
type: citation
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
citation.id: primary
citation.journal abbrev: Cell
citation.journal id ISSN: 1097-4172
citation.journal volume: 185
citation.page first: 3520
citation.page last: 3532.e26
citation.pdbx database id DOI: 10.1016/j.cell.2022.07.019
citation.pdbx database id pub med: 36041435
citation.title: Accurate de novo design of membrane-traversing macrocycles.
citation.year: 2022
link to doi: doi:10.1016/j.cell.2022.07.019
link to pubmed: pubmed:36041435
references: pubmed:36041435
referenced by citation author: primary,Baker, D.,26
referenced by citation author: primary,Bhardwaj, G.,1
referenced by citation author: primary,O&#39;Connor, J.,2
referenced by citation author: primary,Rettie, S.,3
referenced by citation author: primary,Huang, Y.H.,4
referenced by citation author: primary,Ramelot, T.A.,5
referenced by citation author: primary,Mulligan, V.K.,6
referenced by citation author: primary,Alpkilic, G.G.,7
referenced by citation author: primary,Palmer, J.,8
referenced by citation author: primary,Bera, A.K.,9
referenced by citation author: primary,Bick, M.J.,10
referenced by citation author: primary,Di Piazza, M.,11
referenced by citation author: primary,Li, X.,12
referenced by citation author: primary,Hosseinzadeh, P.,13
referenced by citation author: primary,Craven, T.W.,14
referenced by citation author: primary,Tejero, R.,15
referenced by citation author: primary,Lauko, A.,16
referenced by citation author: primary,Choi, R.,17
referenced by citation author: primary,Glynn, C.,18
referenced by citation author: primary,Dong, L.,19
referenced by citation author: primary,Griffin, R.,20
referenced by citation author: primary,van Voorhis, W.C.,21
referenced by citation author: primary,Rodriguez, J.,22
referenced by citation author: primary,Stewart, L.,23
referenced by citation author: primary,Montelione, G.T.,24
referenced by citation author: primary,Craik, D.,25

primary,Bhardwaj, G.,1
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Bhardwaj, G.
citation author.ordinal: 1

primary,O&#39;Connor, J.,2
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: O'Connor, J.
citation author.ordinal: 2

primary,Rettie, S.,3
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Rettie, S.
citation author.ordinal: 3

primary,Huang, Y.H.,4
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Huang, Y.H.
citation author.ordinal: 4

primary,Ramelot, T.A.,5
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Ramelot, T.A.
citation author.ordinal: 5

primary,Mulligan, V.K.,6
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Mulligan, V.K.
citation author.ordinal: 6

primary,Alpkilic, G.G.,7
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Alpkilic, G.G.
citation author.ordinal: 7

primary,Palmer, J.,8
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Palmer, J.
citation author.ordinal: 8

primary,Bera, A.K.,9
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Bera, A.K.
citation author.ordinal: 9

primary,Bick, M.J.,10
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Bick, M.J.
citation author.ordinal: 10

primary,Di Piazza, M.,11
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Di Piazza, M.
citation author.ordinal: 11

primary,Li, X.,12
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Li, X.
citation author.ordinal: 12

primary,Hosseinzadeh, P.,13
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Hosseinzadeh, P.
citation author.ordinal: 13

primary,Craven, T.W.,14
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Craven, T.W.
citation author.ordinal: 14

primary,Tejero, R.,15
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Tejero, R.
citation author.ordinal: 15

primary,Lauko, A.,16
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Lauko, A.
citation author.ordinal: 16

primary,Choi, R.,17
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Choi, R.
citation author.ordinal: 17

primary,Glynn, C.,18
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Glynn, C.
citation author.ordinal: 18

primary,Dong, L.,19
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Dong, L.
citation author.ordinal: 19

primary,Griffin, R.,20
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Griffin, R.
citation author.ordinal: 20

primary,van Voorhis, W.C.,21
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: van Voorhis, W.C.
citation author.ordinal: 21

primary,Rodriguez, J.,22
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Rodriguez, J.
citation author.ordinal: 22

primary,Stewart, L.,23
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Stewart, L.
citation author.ordinal: 23

primary,Montelione, G.T.,24
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Montelione, G.T.
citation author.ordinal: 24

primary,Craik, D.,25
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Craik, D.
citation author.ordinal: 25

primary,Baker, D.,26
type: citation author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to citation: primary
citation author.citation id: primary
citation author.name: Baker, D.
citation author.ordinal: 26

8CTO,PDB
type: database 2
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
database 2.database code: 8CTO
database 2.database id: PDB
database 2.pdbx DOI: 10.2210/pdb8cto/pdb
database 2.pdbx database accession: pdb_00008cto

D 1000265359,WWPDB
type: database 2
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
database 2.database code: D_1000265359
database 2.database id: WWPDB

31021,BMRB
type: database 2
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
database 2.database code: 31021
database 2.database id: BMRB

http://rdf.wwpdb.org/pdb/8CTO/entity/1
type: entity
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
entity.id: 1
entity.formula weight: 807.03
entity.pdbx description: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/8CTO/struct_ref/1
referenced by pdbx entity src syn: 1,1

http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
type: entity poly
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity: http://rdf.wwpdb.org/pdb/8CTO/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: yes
entity poly.pdbx seq one letter code can: APXVAPXV
entity poly.pdbx strand id: A
entity poly.type: polypeptide(D)
referenced by entity poly seq: 1,DVA,8
referenced by entity poly seq: 1,DAL,1
referenced by entity poly seq: 1,DPR,2
referenced by entity poly seq: 1,MLU,3
referenced by entity poly seq: 1,DVA,4
referenced by entity poly seq: 1,DAL,5
referenced by entity poly seq: 1,DPR,6
referenced by entity poly seq: 1,MLU,7

1,DAL,1
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: DAL
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DAL
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DAL,1

1,DPR,2
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: DPR
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DPR
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DPR,2

1,MLU,3
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: MLU
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MLU
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MLU,3

1,DVA,4
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: DVA
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DVA
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DVA,4

1,DAL,5
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: DAL
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DAL
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DAL,5

1,DPR,6
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: DPR
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DPR
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DPR,6

1,MLU,7
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: MLU
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MLU
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MLU,7

1,DVA,8
type: entity poly seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to chem comp: DVA
reference to entity poly: http://rdf.wwpdb.org/pdb/8CTO/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DVA
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DVA,8

8CTO,SOLUTION NMR
type: exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
exptl.entry id: 8CTO
exptl.method: SOLUTION NMR

Structure model,1,2
type: pdbx audit revision category
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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 group: Structure model,1,2
type: pdbx audit revision history
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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: 2022-09-28
referenced by pdbx audit revision item: Structure model,3,2
referenced by pdbx audit revision item: Structure model,1,2
referenced by pdbx audit revision item: Structure model,2,2

Structure model,1,1
type: pdbx audit revision details
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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: 2022-09-14

Structure model,1,2
type: pdbx audit revision group
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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,1,2
type: pdbx audit revision item
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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.journal_volume

Structure model,2,2
type: pdbx audit revision item
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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.page_first

Structure model,3,2
type: pdbx audit revision item
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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.page_last

http://rdf.wwpdb.org/pdb/8CTO/pdbx_audit_support/1
type: pdbx audit support
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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: R35-GM141818

http://rdf.wwpdb.org/pdb/8CTO/pdbx_contact_author/2
type: pdbx contact author
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx contact author.id: 2
pdbx contact author.identifier ORCID: 0000-0002-9440-3059
pdbx contact author.name first: Gaetano
pdbx contact author.name last: Montelione
pdbx contact author.name mi: T
pdbx contact author.role: principal investigator/group leader

unspecified,30998,BMRB
type: pdbx database related
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx database related.content type: unspecified
pdbx database related.db id: 30998
pdbx database related.db name: BMRB
pdbx database related.details: A-CC shifts
link to bmrb: bmr30998

unspecified,7UBD,PDB
type: pdbx database related
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx database related.content type: unspecified
pdbx database related.db id: 7UBD
pdbx database related.db name: PDB
pdbx database related.details: A-CC conformation

unspecified,31021,BMRB
type: pdbx database related
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx database related.content type: unspecified
pdbx database related.db id: 31021
pdbx database related.db name: BMRB
pdbx database related.details: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
link to bmrb: bmr31021

8CTO
type: pdbx database status
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
pdbx database status.entry id: 8CTO
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: 2022-05-16
pdbx database status.status code: REL
pdbx database status.status code cs: REL
pdbx database status.status code mr: REL

1,1
type: pdbx entity src syn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity: http://rdf.wwpdb.org/pdb/8CTO/entity/1
pdbx entity src syn.entity id: 1
pdbx entity src syn.pdbx src id: 1
pdbx entity src syn.ncbi taxonomy id: 32630
pdbx entity src syn.organism scientific: synthetic construct
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: 8

8CTO
type: pdbx entry details
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
pdbx entry details.entry id: 8CTO
pdbx entry details.has ligand of interest: N

8CTO
type: pdbx nmr ensemble
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
pdbx nmr ensemble.entry id: 8CTO
pdbx nmr ensemble.conformer selection criteria: target function
pdbx nmr ensemble.conformers calculated total number: 100
pdbx nmr ensemble.conformers submitted total number: 20

1,1,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 1
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 1D 1H

1,2,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 2
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D NOESY

1,3,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 3
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D ROESY

1,4,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 4
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D TOCSY

1,5,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 5
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D DQF-COSY

1,6,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 6
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-13C HSQC-ed

1,7,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 7
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-15N HSQC

1,8,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 8
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-13C HMBC

1,9,1
type: pdbx nmr exptl
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 9
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-13C HSQC-TOCSY

peptide,1
type: pdbx nmr exptl sample
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl sample.component: peptide
pdbx nmr exptl sample.solution id: 1
pdbx nmr exptl sample.concentration: 6
pdbx nmr exptl sample.concentration units: mg/mL
pdbx nmr exptl sample.isotopic labeling: natural abundance

TMS,1
type: pdbx nmr exptl sample
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl sample.component: TMS
pdbx nmr exptl sample.solution id: 1
pdbx nmr exptl sample.concentration: 0.03
pdbx nmr exptl sample.concentration units: %
pdbx nmr exptl sample.isotopic labeling: natural abundance

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_exptl_sample_conditions/1
type: pdbx nmr exptl sample conditions
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr exptl sample conditions.conditions id: 1
pdbx nmr exptl sample conditions.ionic strength: NA
pdbx nmr exptl sample conditions.ionic strength units: Not defined
pdbx nmr exptl sample conditions.label: conditions_1
pdbx nmr exptl sample conditions.p h: 0
pdbx nmr exptl sample conditions.p h units: Not defined
pdbx nmr exptl sample conditions.pressure: 1
pdbx nmr exptl sample conditions.pressure units: atm
pdbx nmr exptl sample conditions.temperature: 293
pdbx nmr exptl sample conditions.temperature err: 1
pdbx nmr exptl sample conditions.temperature units: K

8CTO,1
type: pdbx nmr refine
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
pdbx nmr refine.entry id: 8CTO
pdbx nmr refine.software ordinal: 1
pdbx nmr refine.details: This is conformation B (CT) of the 8-residue cyclic peptide present in the same NMR sample in d6-DMSO. A-CC conformation (50%) has cis MLU-3 and cis MLU-7 (pdb 7UBD) and B-CT (50%) conformation has cis MLU-3 and trans MLU-7
pdbx nmr refine.method: na

8CTO
type: pdbx nmr representative
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
pdbx nmr representative.entry id: 8CTO
pdbx nmr representative.conformer id: 1
pdbx nmr representative.selection criteria: medoid

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_sample_details/1
type: pdbx nmr sample details
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr sample details.solution id: 1
pdbx nmr sample details.contents: 6 mg/mL peptide, 0.03 % TMS, DMSO
pdbx nmr sample details.details: D8.31-DMSO
pdbx nmr sample details.label: peptide
pdbx nmr sample details.solvent system: DMSO
pdbx nmr sample details.type: solution

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_software/1
type: pdbx nmr software
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr software.ordinal: 1
pdbx nmr software.authors: Guntert , Mumenthaler, and Wuthrich
pdbx nmr software.classification: refinement
pdbx nmr software.name: CYANA
pdbx nmr software.version: 3.98.13

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_software/2
type: pdbx nmr software
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr software.ordinal: 2
pdbx nmr software.authors: Lee, Tonelli, Markley
pdbx nmr software.classification: peak picking
pdbx nmr software.name: NMRFAM-SPARKY
pdbx nmr software.version: 1.370

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_software/3
type: pdbx nmr software
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr software.ordinal: 3
pdbx nmr software.authors: Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
pdbx nmr software.classification: processing
pdbx nmr software.name: NMRPipe
pdbx nmr software.version: 10.9

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_software/4
type: pdbx nmr software
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr software.ordinal: 4
pdbx nmr software.authors: Bruker Biospin
pdbx nmr software.classification: data analysis
pdbx nmr software.name: TopSpin
pdbx nmr software.version: 4.0.9

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_software/5
type: pdbx nmr software
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr software.ordinal: 5
pdbx nmr software.authors: Tejero, Snyder, Mao, Aramini, Montelione
pdbx nmr software.classification: data analysis
pdbx nmr software.name: PdbStat
pdbx nmr software.version: 5.21.6

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_software/6
type: pdbx nmr software
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr software.ordinal: 6
pdbx nmr software.authors: Guntert , Mumenthaler, and Wuthrich
pdbx nmr software.classification: structure calculation
pdbx nmr software.name: CYANA
pdbx nmr software.version: 3.98.13

http://rdf.wwpdb.org/pdb/8CTO/pdbx_nmr_spectrometer/1
type: pdbx nmr spectrometer
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx nmr spectrometer.spectrometer id: 1
pdbx nmr spectrometer.details: CP-TCI - Pharaoh - RPI
pdbx nmr spectrometer.field strength: 600
pdbx nmr spectrometer.manufacturer: Bruker
pdbx nmr spectrometer.model: AVANCE III

A,1,DAL,1
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,DAL,1
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DAL
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: DAL
pdbx poly seq scheme.auth seq num: 1
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: DAL
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
referenced by pdbx poly seq scheme: A,1,DAL,1
referenced by pdbx poly seq scheme: A,1,DPR,2
referenced by pdbx poly seq scheme: A,1,MLU,3
referenced by pdbx poly seq scheme: A,1,DVA,4
referenced by pdbx poly seq scheme: A,1,DAL,5
referenced by pdbx poly seq scheme: A,1,DPR,6
referenced by pdbx poly seq scheme: A,1,MLU,7
referenced by pdbx poly seq scheme: A,1,DVA,8
type: struct asym
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity: http://rdf.wwpdb.org/pdb/8CTO/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,DPR,2
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,DPR,2
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DPR
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: DPR
pdbx poly seq scheme.auth seq num: 2
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: DPR
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,MLU,3
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,MLU,3
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MLU
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: MLU
pdbx poly seq scheme.auth seq num: 3
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: MLU
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,DVA,4
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,DVA,4
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DVA
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: DVA
pdbx poly seq scheme.auth seq num: 4
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: DVA
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,DAL,5
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,DAL,5
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DAL
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: DAL
pdbx poly seq scheme.auth seq num: 5
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: DAL
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,DPR,6
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,DPR,6
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DPR
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: DPR
pdbx poly seq scheme.auth seq num: 6
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: DPR
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,MLU,7
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,MLU,7
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MLU
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: MLU
pdbx poly seq scheme.auth seq num: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: MLU
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,DVA,8
type: pdbx poly seq scheme
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity poly seq: 1,DVA,8
reference to struct asym: http://rdf.wwpdb.org/pdb/8CTO/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DVA
pdbx poly seq scheme.seq id: 8
pdbx poly seq scheme.auth mon id: DVA
pdbx poly seq scheme.auth seq num: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb mon id: DVA
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/8CTO/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_defined_assembly
pdbx struct assembly.oligomeric count: 1
pdbx struct assembly.oligomeric details: monomeric
referenced by pdbx struct assembly gen: 1,A,1
referenced by pdbx struct assembly auth evidence: 1,1

1,1
type: pdbx struct assembly auth evidence
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/8CTO/pdbx_struct_assembly/1
pdbx struct assembly auth evidence.assembly id: 1
pdbx struct assembly auth evidence.id: 1
pdbx struct assembly auth evidence.details: cyclic peptide with two conformations observed in noesy data. A-CC (50%) and B-CT (50%). This one is B-CT conformation.
pdbx struct assembly auth evidence.experimental support: none

1,A,1
type: pdbx struct assembly gen
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/8CTO/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A
pdbx struct assembly gen.oper expression: 1

http://rdf.wwpdb.org/pdb/8CTO/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
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.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/8CTO/pdbx_validate_rmsd_angle/1
type: pdbx validate rmsd angle
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate rmsd angle.id: 1
pdbx validate rmsd angle.pdb model num: 1
pdbx validate rmsd angle.angle deviation: 15.08
pdbx validate rmsd angle.angle standard deviation: 2.1
pdbx validate rmsd angle.angle target value: 111.7
pdbx validate rmsd angle.angle value: 126.78
pdbx validate rmsd angle.auth asym id 1: A
pdbx validate rmsd angle.auth asym id 2: A
pdbx validate rmsd angle.auth asym id 3: A
pdbx validate rmsd angle.auth atom id 1: CB
pdbx validate rmsd angle.auth atom id 2: CA
pdbx validate rmsd angle.auth atom id 3: C
pdbx validate rmsd angle.auth comp id 1: DPR
pdbx validate rmsd angle.auth comp id 2: DPR
pdbx validate rmsd angle.auth comp id 3: DPR
pdbx validate rmsd angle.auth seq id 1: 6
pdbx validate rmsd angle.auth seq id 2: 6
pdbx validate rmsd angle.auth seq id 3: 6
pdbx validate rmsd angle.linker flag: N

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_rmsd_angle/2
type: pdbx validate rmsd angle
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate rmsd angle.id: 2
pdbx validate rmsd angle.pdb model num: 4
pdbx validate rmsd angle.angle deviation: 12.83
pdbx validate rmsd angle.angle standard deviation: 2.1
pdbx validate rmsd angle.angle target value: 111.7
pdbx validate rmsd angle.angle value: 124.53
pdbx validate rmsd angle.auth asym id 1: A
pdbx validate rmsd angle.auth asym id 2: A
pdbx validate rmsd angle.auth asym id 3: A
pdbx validate rmsd angle.auth atom id 1: CB
pdbx validate rmsd angle.auth atom id 2: CA
pdbx validate rmsd angle.auth atom id 3: C
pdbx validate rmsd angle.auth comp id 1: DPR
pdbx validate rmsd angle.auth comp id 2: DPR
pdbx validate rmsd angle.auth comp id 3: DPR
pdbx validate rmsd angle.auth seq id 1: 6
pdbx validate rmsd angle.auth seq id 2: 6
pdbx validate rmsd angle.auth seq id 3: 6
pdbx validate rmsd angle.linker flag: N

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_rmsd_angle/3
type: pdbx validate rmsd angle
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate rmsd angle.id: 3
pdbx validate rmsd angle.pdb model num: 8
pdbx validate rmsd angle.angle deviation: 14.73
pdbx validate rmsd angle.angle standard deviation: 2.1
pdbx validate rmsd angle.angle target value: 111.7
pdbx validate rmsd angle.angle value: 126.43
pdbx validate rmsd angle.auth asym id 1: A
pdbx validate rmsd angle.auth asym id 2: A
pdbx validate rmsd angle.auth asym id 3: A
pdbx validate rmsd angle.auth atom id 1: CB
pdbx validate rmsd angle.auth atom id 2: CA
pdbx validate rmsd angle.auth atom id 3: C
pdbx validate rmsd angle.auth comp id 1: DPR
pdbx validate rmsd angle.auth comp id 2: DPR
pdbx validate rmsd angle.auth comp id 3: DPR
pdbx validate rmsd angle.auth seq id 1: 6
pdbx validate rmsd angle.auth seq id 2: 6
pdbx validate rmsd angle.auth seq id 3: 6
pdbx validate rmsd angle.linker flag: N

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_rmsd_angle/4
type: pdbx validate rmsd angle
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate rmsd angle.id: 4
pdbx validate rmsd angle.pdb model num: 9
pdbx validate rmsd angle.angle deviation: 14.86
pdbx validate rmsd angle.angle standard deviation: 2.1
pdbx validate rmsd angle.angle target value: 111.7
pdbx validate rmsd angle.angle value: 126.56
pdbx validate rmsd angle.auth asym id 1: A
pdbx validate rmsd angle.auth asym id 2: A
pdbx validate rmsd angle.auth asym id 3: A
pdbx validate rmsd angle.auth atom id 1: CB
pdbx validate rmsd angle.auth atom id 2: CA
pdbx validate rmsd angle.auth atom id 3: C
pdbx validate rmsd angle.auth comp id 1: DPR
pdbx validate rmsd angle.auth comp id 2: DPR
pdbx validate rmsd angle.auth comp id 3: DPR
pdbx validate rmsd angle.auth seq id 1: 6
pdbx validate rmsd angle.auth seq id 2: 6
pdbx validate rmsd angle.auth seq id 3: 6
pdbx validate rmsd angle.linker flag: N

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_rmsd_angle/5
type: pdbx validate rmsd angle
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate rmsd angle.id: 5
pdbx validate rmsd angle.pdb model num: 12
pdbx validate rmsd angle.angle deviation: 14.57
pdbx validate rmsd angle.angle standard deviation: 2.1
pdbx validate rmsd angle.angle target value: 111.7
pdbx validate rmsd angle.angle value: 126.27
pdbx validate rmsd angle.auth asym id 1: A
pdbx validate rmsd angle.auth asym id 2: A
pdbx validate rmsd angle.auth asym id 3: A
pdbx validate rmsd angle.auth atom id 1: CB
pdbx validate rmsd angle.auth atom id 2: CA
pdbx validate rmsd angle.auth atom id 3: C
pdbx validate rmsd angle.auth comp id 1: DPR
pdbx validate rmsd angle.auth comp id 2: DPR
pdbx validate rmsd angle.auth comp id 3: DPR
pdbx validate rmsd angle.auth seq id 1: 6
pdbx validate rmsd angle.auth seq id 2: 6
pdbx validate rmsd angle.auth seq id 3: 6
pdbx validate rmsd angle.linker flag: N

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/1
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 1
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 97.17
pdbx validate torsion.psi: -38.8

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/2
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 2
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 47.72
pdbx validate torsion.psi: 83.93

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/3
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 3
pdbx validate torsion.pdb model num: 2
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 51.99
pdbx validate torsion.psi: -174.01

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/4
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 4
pdbx validate torsion.pdb model num: 2
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: -77.4
pdbx validate torsion.psi: 63.88

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/5
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 5
pdbx validate torsion.pdb model num: 3
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 48.04
pdbx validate torsion.psi: -161.25

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/6
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 6
pdbx validate torsion.pdb model num: 3
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 50.35
pdbx validate torsion.psi: -170.47

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/7
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 7
pdbx validate torsion.pdb model num: 3
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: -76.24
pdbx validate torsion.psi: 62.43

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/8
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 8
pdbx validate torsion.pdb model num: 4
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 48.35
pdbx validate torsion.psi: -159.43

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/9
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 9
pdbx validate torsion.pdb model num: 4
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 103.24
pdbx validate torsion.psi: -40.2

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/10
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 10
pdbx validate torsion.pdb model num: 5
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DVA
pdbx validate torsion.auth seq id: 4
pdbx validate torsion.phi: 109.43
pdbx validate torsion.psi: 60.83

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/11
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 11
pdbx validate torsion.pdb model num: 5
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: -74.29
pdbx validate torsion.psi: 63.75

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/12
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 12
pdbx validate torsion.pdb model num: 6
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 13.56
pdbx validate torsion.psi: 75.51

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/13
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 13
pdbx validate torsion.pdb model num: 8
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 49.18
pdbx validate torsion.psi: -159.22

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/14
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 14
pdbx validate torsion.pdb model num: 8
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 109.76
pdbx validate torsion.psi: -50.26

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/15
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 15
pdbx validate torsion.pdb model num: 8
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 35.4
pdbx validate torsion.psi: 81.41

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/16
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 16
pdbx validate torsion.pdb model num: 9
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 103.76
pdbx validate torsion.psi: -46.51

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/17
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 17
pdbx validate torsion.pdb model num: 9
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 35.51
pdbx validate torsion.psi: 81.75

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/18
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 18
pdbx validate torsion.pdb model num: 10
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 17.57
pdbx validate torsion.psi: 73.01

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/19
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 19
pdbx validate torsion.pdb model num: 11
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 47.43
pdbx validate torsion.psi: -161.81

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/20
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 20
pdbx validate torsion.pdb model num: 11
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 104.48
pdbx validate torsion.psi: -79.37

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/21
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 21
pdbx validate torsion.pdb model num: 12
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 49.51
pdbx validate torsion.psi: -160.9

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/22
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 22
pdbx validate torsion.pdb model num: 12
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 105.29
pdbx validate torsion.psi: -48.53

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/23
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 23
pdbx validate torsion.pdb model num: 12
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 35.37
pdbx validate torsion.psi: 81.1

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/24
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 24
pdbx validate torsion.pdb model num: 13
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 108.23
pdbx validate torsion.psi: -40.91

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/25
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 25
pdbx validate torsion.pdb model num: 13
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 7.85
pdbx validate torsion.psi: 77.85

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/26
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 26
pdbx validate torsion.pdb model num: 14
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 106.97
pdbx validate torsion.psi: -57.27

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/27
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 27
pdbx validate torsion.pdb model num: 14
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 29.9
pdbx validate torsion.psi: -95.5

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/28
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 28
pdbx validate torsion.pdb model num: 14
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: -166.83
pdbx validate torsion.psi: 77.37

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/29
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 29
pdbx validate torsion.pdb model num: 15
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 108.18
pdbx validate torsion.psi: -58.44

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/30
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 30
pdbx validate torsion.pdb model num: 15
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DVA
pdbx validate torsion.auth seq id: 4
pdbx validate torsion.phi: 137.2
pdbx validate torsion.psi: 38.99

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/31
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 31
pdbx validate torsion.pdb model num: 15
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 7.77
pdbx validate torsion.psi: 76.41

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/32
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 32
pdbx validate torsion.pdb model num: 16
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 48.48
pdbx validate torsion.psi: -160.29

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/33
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 33
pdbx validate torsion.pdb model num: 16
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 106.17
pdbx validate torsion.psi: -52.64

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/34
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 34
pdbx validate torsion.pdb model num: 16
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 165.68
pdbx validate torsion.psi: -71.22

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/35
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 35
pdbx validate torsion.pdb model num: 17
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 107.04
pdbx validate torsion.psi: -57.11

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/36
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 36
pdbx validate torsion.pdb model num: 17
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 29.9
pdbx validate torsion.psi: -95.51

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/37
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 37
pdbx validate torsion.pdb model num: 17
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: -166.88
pdbx validate torsion.psi: 77.46

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/38
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 38
pdbx validate torsion.pdb model num: 18
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 109.97
pdbx validate torsion.psi: -43.53

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/39
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 39
pdbx validate torsion.pdb model num: 18
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 27.02
pdbx validate torsion.psi: 59.37

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/40
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 40
pdbx validate torsion.pdb model num: 18
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 12.24
pdbx validate torsion.psi: 75.74

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/41
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 41
pdbx validate torsion.pdb model num: 19
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: 26.99
pdbx validate torsion.psi: 59.13

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/42
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 42
pdbx validate torsion.pdb model num: 19
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 12.21
pdbx validate torsion.psi: 75.68

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/43
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 43
pdbx validate torsion.pdb model num: 20
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: DPR
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 47.4
pdbx validate torsion.psi: -162

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/44
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 44
pdbx validate torsion.pdb model num: 20
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 3
pdbx validate torsion.phi: 108.93
pdbx validate torsion.psi: -60.39

http://rdf.wwpdb.org/pdb/8CTO/pdbx_validate_torsion/45
type: pdbx validate torsion
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
pdbx validate torsion.id: 45
pdbx validate torsion.pdb model num: 20
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: MLU
pdbx validate torsion.auth seq id: 7
pdbx validate torsion.phi: 166.01
pdbx validate torsion.psi: -72.03

8CTO
type: struct
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
struct.entry id: 8CTO
struct.pdbx CASP flag: N
struct.title: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)

covale1
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale1
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DAL
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DAL
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DPR
struct conn.ptnr2 auth seq id: 2
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DPR
struct conn.ptnr2 label seq id: 2
struct conn.ptnr2 symmetry: 1_555

covale
referenced by struct conn: covale1
referenced by struct conn: covale2
referenced by struct conn: covale3
referenced by struct conn: covale4
referenced by struct conn: covale5
referenced by struct conn: covale6
referenced by struct conn: covale7
referenced by struct conn: covale8
type: struct conn type
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct conn type.id: covale

covale2
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale2
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.382
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DAL
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: N
struct conn.ptnr1 label comp id: DAL
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DVA
struct conn.ptnr2 auth seq id: 8
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: C
struct conn.ptnr2 label comp id: DVA
struct conn.ptnr2 label seq id: 8
struct conn.ptnr2 symmetry: 1_555

covale3
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale3
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DPR
struct conn.ptnr1 auth seq id: 2
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DPR
struct conn.ptnr1 label seq id: 2
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: MLU
struct conn.ptnr2 auth seq id: 3
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: MLU
struct conn.ptnr2 label seq id: 3
struct conn.ptnr2 symmetry: 1_555

covale4
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale4
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MLU
struct conn.ptnr1 auth seq id: 3
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: MLU
struct conn.ptnr1 label seq id: 3
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DVA
struct conn.ptnr2 auth seq id: 4
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DVA
struct conn.ptnr2 label seq id: 4
struct conn.ptnr2 symmetry: 1_555

covale5
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale5
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.328
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DVA
struct conn.ptnr1 auth seq id: 4
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DVA
struct conn.ptnr1 label seq id: 4
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DAL
struct conn.ptnr2 auth seq id: 5
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DAL
struct conn.ptnr2 label seq id: 5
struct conn.ptnr2 symmetry: 1_555

covale6
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale6
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DAL
struct conn.ptnr1 auth seq id: 5
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DAL
struct conn.ptnr1 label seq id: 5
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DPR
struct conn.ptnr2 auth seq id: 6
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DPR
struct conn.ptnr2 label seq id: 6
struct conn.ptnr2 symmetry: 1_555

covale7
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale7
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: one
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DPR
struct conn.ptnr1 auth seq id: 6
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DPR
struct conn.ptnr1 label seq id: 6
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: MLU
struct conn.ptnr2 auth seq id: 7
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: MLU
struct conn.ptnr2 label seq id: 7
struct conn.ptnr2 symmetry: 1_555

covale8
type: struct conn
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct conn type: covale
struct conn.id: covale8
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MLU
struct conn.ptnr1 auth seq id: 7
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: MLU
struct conn.ptnr1 label seq id: 7
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DVA
struct conn.ptnr2 auth seq id: 8
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DVA
struct conn.ptnr2 label seq id: 8
struct conn.ptnr2 symmetry: 1_555

8CTO
type: struct keywords
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entry: 8CTO
struct keywords.entry id: 8CTO
struct keywords.pdbx keywords: DE NOVO PROTEIN
struct keywords.text: cyclic peptide, non natural amino acids, cis/trans, switch peptides, de novo design, membrane permeability, DE NOVO PROTEIN

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/1
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 1
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 1
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.01

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/2
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 2
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 2
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.02

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/3
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 3
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 3
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.03

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/4
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 4
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 4
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.00

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/5
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 5
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 5
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.00

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/6
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 6
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 6
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.07

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/7
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 7
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 7
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.02

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/8
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 8
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 8
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.05

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/9
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 9
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 9
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.01

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/10
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 10
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 10
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.09

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/11
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 11
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 11
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.00

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/12
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 12
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 12
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.01

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/13
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 13
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 13
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.13

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/14
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 14
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 14
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.08

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/15
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 15
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 15
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.06

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/16
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 16
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 16
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.03

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/17
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 17
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 17
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.03

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/18
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 18
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 18
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: -0.01

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/19
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 19
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 19
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.03

http://rdf.wwpdb.org/pdb/8CTO/struct_mon_prot_cis/20
type: struct mon prot cis
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
struct mon prot cis.pdbx id: 20
struct mon prot cis.auth asym id: A
struct mon prot cis.auth comp id: DPR
struct mon prot cis.auth seq id: 2
struct mon prot cis.label asym id: A
struct mon prot cis.label comp id: DPR
struct mon prot cis.label seq id: 2
struct mon prot cis.pdbx PDB model num: 20
struct mon prot cis.pdbx auth asym id 2: A
struct mon prot cis.pdbx auth comp id 2: MLU
struct mon prot cis.pdbx auth seq id 2: 3
struct mon prot cis.pdbx label asym id 2: A
struct mon prot cis.pdbx label comp id 2: MLU
struct mon prot cis.pdbx label seq id 2: 3
struct mon prot cis.pdbx omega angle: 0.06

http://rdf.wwpdb.org/pdb/8CTO/struct_ref/1
type: struct ref
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to entity: http://rdf.wwpdb.org/pdb/8CTO/entity/1
struct ref.id: 1
struct ref.db code: 8CTO
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx align begin: 1
struct ref.pdbx db accession: 8CTO
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/8CTO/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/8CTO/struct_ref_seq/1
type: struct ref seq
of datablock: Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
reference to struct ref: http://rdf.wwpdb.org/pdb/8CTO/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 1
struct ref seq.db align end: 8
struct ref seq.pdbx PDB id code: 8CTO
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 8
struct ref seq.pdbx db accession: 8CTO
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: 8