Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions

Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.

TNSGDRINTVRGPITISEAGFTLMHEHICGSSAGFLRAWPEFFGSRDALAEKAVRGLRRARAAGVRTIVDVSTFDLGRDV
ELLAEVSEAADVHIVAATGLWFDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQERVLRAAARA
SLATGVPVTTHTDASQRDGEQQADIFESEGLDPSRVCIGHSDDTDDLDYLTALAARGYLIGLDGIPHSAIGLEDNASAAA
LLGLRSWQTRALLIKALIDQGYADQILVSNDWLFGFSSYVTNIMDVLDRVNPDGMAFIPLRVIPFLREKGVPDETLETIM
VDNPARFLSPTLRAS

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKAVRGLRRARAAGVRTIVDVSTFDIGRDVSLL
AEVSRAADVHIVAATGLWFDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQELVLKAAARASLA
TGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASALLG
IRSWQTRALLIKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQETLAGITVTN
PARFLSPTLRAS

binding site for Di-peptide FMT B 401 and LYS B 169