3NGM

crystal structure of lipase from gibberella zeae

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 88
  • Norm. En. per Res.: -4.5956
• Hub Node: A(3)

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	-38.8316	-97.0228	-268.561	-404.4153	88	27	5	9725	4	30	24
A-C	0.0	1.0026	-5.8515	-4.8488	6	1	0	273	0	1	2
A-D	-18.1483	-5.8102	-91.9583	-115.9168	82	10	7	4616	3	6	11
B-C	-4.893	10.8767	-106.391	-100.4073	84	11	8	4941	0	6	11
B-D	0.0	0.8742	-1.9941	-1.1199	6	0	0	208	0	1	2

Interface residues

• A-B: ALA315A, ALA315B, ARG211A, ARG211B, ARG317A, ARG317B, ASN176A, ASN176B, ASN91A, ASN91B, ASP307A, ASP307B, ASP93A, ASP93B, ASP95A, ASP95B, ASP97A, ASP97B, ASP98A, ASP98B, CYS105A, CYS105B, CYS99A, CYS99B, GLN178A, GLN178B, GLN96A, GLN96B, GLU305A, GLU305B, GLU309A, GLU309B, GLY104A, GLY104B, GLY106A, GLY106B, GLY209A, GLY209B, HIS108A, HIS108B, HIS314A, HIS314B, ILE207A, ILE207B, ILE311A, ILE311B, LEU179A, LEU179B, LEU206A, LEU206B, LEU92A, LEU92B, LYS299A, LYS299B, LYS308A, LYS308B, LYS312A, LYS312B, MET306A, MET306B, PHE208A, PHE208B, PHE94A, PHE94B, PRO204A, PRO204B, PRO205A, PRO205B, SER103A, SER109A, SER109B, SER302A, SER302B, SER316A, SER316B, SER318A, SER318B, THR177B, THR313A, THR313B, TYR210A, TYR210B, TYR303A, TYR303B, TYR310A, TYR310B, VAL107A, VAL107B
• A-C: ALA315A, ARG317A, LYS59C, SER316A, SER318A, SER58C
• A-D: ALA120A, ALA120D, ALA121A, ALA121D, ALA122A, ALA122D, ALA124A, ALA124D, ALA125A, ALA125D, ALA127A, ALA127D, ALA155A, ARG130A, ARG130D, ARG158A, ARG158D, ASN113A, ASN113D, ASN116A, ASN116D, ASN156A, ASN156D, ASP97A, ASP97D, ASP98A, ASP98D, CYS105A, CYS105D, CYS99A, CYS99D, GLN112A, GLN112D, GLN96A, GLN96D, GLU117A, GLU117D, GLY160A, GLY160D, GLY161A, GLY161D, GLY57A, GLY57D, ILE118A, ILE118D, ILE159A, ILE159D, ILE62D, LEU101A, LEU101D, LEU157A, LEU157D, LYS128A, LYS128D, LYS59A, LYS59D, PHE182A, PHE182D, PHE55A, PHE55D, SER100A, SER100D, SER103D, SER109A, SER109D, SER119A, SER119D, SER58A, SER58D, THR102A, THR102D, THR123A, THR123D, THR162A, THR162D, THR56A, THR56D, THR60D, TRP115A, TRP115D, VAL107A, VAL126A
• B-C: ALA120B, ALA120C, ALA121B, ALA121C, ALA122B, ALA122C, ALA124B, ALA124C, ALA125B, ALA125C, ALA127B, ALA127C, ALA155B, ALA155C, ARG130B, ARG130C, ARG158B, ARG158C, ASN113B, ASN113C, ASN116B, ASN116C, ASN156B, ASN156C, ASP97B, ASP97C, ASP98B, ASP98C, CYS105B, CYS105C, CYS99B, CYS99C, GLN112B, GLN112C, GLN96B, GLN96C, GLU117B, GLU117C, GLY160B, GLY160C, GLY161B, GLY161C, GLY57B, GLY57C, ILE118B, ILE118C, ILE159B, ILE159C, LEU101B, LEU101C, LEU157B, LEU157C, LYS128B, LYS128C, LYS131B, LYS131C, LYS59B, LYS59C, PHE182B, PHE182C, PHE55B, PHE55C, PRO163B, SER100B, SER100C, SER109B, SER109C, SER119B, SER119C, SER58B, SER58C, THR102B, THR102C, THR123B, THR123C, THR162B, THR162C, THR56B, THR56C, THR60C, TRP115B, TRP115C, VAL126B, VAL126C
• B-D: ALA315B, ARG317B, LYS59D, SER316B, SER318B, SER58D