1OCV

the f116w mutant structure of ketosteroid isomerase from comamonas testosteroni

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -5.1841
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-50.9255	-111.259	-351.046	-513.2305	99	13	12	13202	13	30	35
B-C	-33.2926	9.045	-174.14	-198.3876	60	14	6	6629	0	9	14
C-D	-36.9776	-112.6318	-335.1	-484.7094	95	12	12	12639	13	30	34

Interface residues

• A-B: ALA114A, ALA273B, ALA275B, ALA278B, ALA279B, ALA281B, ALA296B, ALA314B, ALA73A, ALA75A, ALA78A, ALA79A, ALA81A, ALA96A, ALA9A, ARG102A, ARG113A, ARG272B, ARG302B, ARG313B, ARG72A, ASN120A, ASN276B, ASN320B, ASN76A, ASP238B, ASP299B, ASP38A, ASP99A, GLN12A, GLN269B, GLN69A, GLU118A, GLU205B, GLU237B, GLU270B, GLU277B, GLU318B, GLU37A, GLU5A, GLU70A, GLU77A, GLY117A, GLY241B, GLY317B, GLY41A, HIS100A, HIS122A, HIS300B, HIS322B, ILE121A, ILE283B, ILE298B, ILE321B, ILE83A, ILE98A, LEU115A, LEU267B, LEU315B, LEU67A, LYS119A, LYS319B, MET207B, MET7A, PHE101A, PHE103A, PHE280B, PHE282B, PHE301B, PHE303B, PHE80A, PHE82A, PRO204B, PRO239B, PRO297B, PRO39A, PRO4A, PRO97A, SER242B, SER42A, THR203B, THR208B, THR268B, THR3A, THR68A, THR8A, TRP116A, TRP316B, VAL11A, VAL240B, VAL271B, VAL274B, VAL294B, VAL295B, VAL40A, VAL71A, VAL74A, VAL94A, VAL95A
• B-C: ALA216B, ALA217B, ALA220B, ALA249B, ALA250B, ALA256B, ALA264B, ALA417C, ALA420C, ALA449C, ALA450C, ALA456C, ARG252B, ARG452C, ASN219B, ASN257B, ASN419C, ASN457C, ASP222B, ASP224B, ASP422C, ASP424C, GLN489C, GLU253B, GLU287B, GLU453C, GLU487C, GLY221B, GLY225B, GLY421C, GLY425C, ILE226B, ILE251B, ILE426C, ILE451C, LEU218B, LEU223B, LEU259B, LEU261B, LEU263B, LEU418C, LEU423C, LEU459C, LEU461C, LEU463C, LYS260B, LYS460C, PHE254B, PHE454C, PRO262B, PRO462C, SER258B, SER458C, THR248B, THR448C, TYR255B, TYR455C, TYR488C, VAL227B, VAL427C
• C-D: ALA473C, ALA475C, ALA478C, ALA479C, ALA481C, ALA496C, ALA514C, ALA673D, ALA675D, ALA678D, ALA679D, ALA681D, ALA696D, ALA714D, ARG472C, ARG502C, ARG513C, ARG672D, ARG702D, ARG713D, ASN476C, ASN520C, ASN676D, ASN720D, ASP438C, ASP499C, ASP638D, ASP699D, GLN469C, GLN669D, GLU405C, GLU437C, GLU470C, GLU477C, GLU518C, GLU605D, GLU637D, GLU670D, GLU677D, GLU718D, GLY441C, GLY517C, GLY641D, GLY717D, HIS500C, HIS522C, HIS700D, HIS722D, ILE483C, ILE498C, ILE521C, ILE683D, ILE698D, ILE721D, LEU467C, LEU515C, LEU667D, LEU715D, LYS519C, LYS719D, MET407C, MET607D, PHE480C, PHE482C, PHE501C, PHE503C, PHE680D, PHE682D, PHE701D, PHE703D, PRO404C, PRO439C, PRO497C, PRO604D, PRO639D, PRO697D, SER442C, SER642D, THR408C, THR468C, THR603D, THR608D, THR668D, TRP516C, TRP716D, VAL440C, VAL471C, VAL474C, VAL494C, VAL495C, VAL640D, VAL671D, VAL674D, VAL694D, VAL695D