2DSA

ternary complex of bphk, a bacterial gst

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 149
  • Norm. En. per Res.: -3.0649
• 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	-15.7847	-3.1942	-430.274	-449.253	150	29	6	15953	3	26	26
A-C	0.0	7.7756	-0.2282	7.5475	6	0	0	45	0	4	4
A-D	0.0	0.0	-29.2349	-29.2349	34	0	0	1308	0	4	3
B-C	0.0	0.0	-28.845	-28.845	33	0	0	1259	0	4	2
B-D	0.0	0.0	-29.3794	-29.3794	20	0	0	979	0	2	3
C-D	-20.1002	-4.2121	-432.365	-456.6773	149	21	6	15852	4	26	26

Interface residues

• A-B: ALA116A, ALA116B, ALA124A, ALA124B, ALA49A, ALA49B, ALA68A, ALA68B, ALA74A, ALA74B, ALA83B, ALA85A, ALA85B, ARG132A, ARG132B, ARG138A, ARG138B, ARG61A, ARG61B, ARG91A, ARG91B, ASN114A, ASN114B, ASN123A, ASN123B, ASN47A, ASN47B, ASN86A, ASN86B, ASN99A, ASN99B, ASP119A, ASP119B, ASP59A, ASP59B, ASP75A, ASP75B, CYS10B, CYS54A, CYS54B, GLN135A, GLN135B, GLN139A, GLN139B, GLN56A, GLN56B, GLN71A, GLN71B, GLN76A, GLN76B, GLN95A, GLN95B, GLN96A, GLN96B, GLU104A, GLU104B, GLU120A, GLU120B, GLU65A, GLU65B, GLU90A, GLU90B, GLY50A, GLY50B, GLY60B, GLY66A, GLY66B, GLY87A, GLY87B, HIS106A, HIS106B, HIS93A, HIS93B, ILE101A, ILE101B, ILE69A, ILE69B, LEU105A, LEU105B, LEU44A, LEU44B, LEU55A, LEU55B, LEU57A, LEU57B, LEU63A, LEU63B, LEU94A, LEU94B, LEU98A, LEU98B, LYS107A, LYS107B, LYS122A, LYS122B, LYS35A, LYS35B, MET1A, PHE100A, PHE100B, PHE89A, PHE89B, PRO111A, PRO111B, PRO48A, PRO48B, PRO53A, PRO53B, PRO67A, PRO67B, SER102A, SER102B, SER103A, SER103B, SER108A, SER108B, SER110B, SER117A, SER117B, SER118A, SER118B, SER128A, SER128B, SER88A, SER88B, THR131A, THR131B, THR62A, THR62B, THR64A, THR64B, TRP121A, TRP121B, TRP97A, TRP97B, TYR157A, TYR157B, TYR51A, TYR51B, TYR72A, TYR72B, TYR92A, TYR92B, VAL125A, VAL125B, VAL46B, VAL70A, VAL70B, VAL73A, VAL73B
• A-C: ARG61A, ARG61C, ASP58C, ASP59A, ASP59C, TYR72C
• A-D: ALA83A, ALA83D, ALA85A, ALA85D, ARG91A, ASN86A, ASN86D, ASP149D, ASP75A, ASP75D, GLN150D, GLN76A, GLN76D, GLN81A, GLN81D, GLU90A, GLU90D, GLY79A, GLY79D, GLY87A, LEU82A, LEU82D, LYS80A, LYS80D, PHE89A, PRO78A, PRO78D, PRO84A, PRO84D, SER88A, SER88D, TYR92A, VAL77A, VAL77D
• B-C: ALA83B, ALA83C, ALA85B, ALA85C, ARG91C, ASN86B, ASN86C, ASP149B, ASP75B, ASP75C, GLN150B, GLN76B, GLN76C, GLN81B, GLN81C, GLU90B, GLU90C, GLY79B, GLY79C, GLY87C, LEU82B, LYS80B, LYS80C, PHE89C, PRO78B, PRO78C, PRO84B, PRO84C, SER88B, SER88C, TYR92C, VAL77B, VAL77C
• B-D: ALA85B, ALA85D, ARG91B, ARG91D, ASN86B, ASN86D, GLU90B, GLU90D, GLY87B, GLY87D, PHE89B, PHE89D, PRO78B, PRO78D, PRO84B, PRO84D, SER88B, SER88D, TYR92B, TYR92D
• C-D: ALA116C, ALA116D, ALA124C, ALA124D, ALA49C, ALA49D, ALA68C, ALA68D, ALA74C, ALA74D, ALA83D, ALA85C, ALA85D, ARG132C, ARG132D, ARG138C, ARG138D, ARG61C, ARG61D, ARG91C, ARG91D, ASN114C, ASN114D, ASN123C, ASN123D, ASN47C, ASN47D, ASN86C, ASN86D, ASN99C, ASN99D, ASP119C, ASP119D, ASP59C, ASP59D, ASP75C, ASP75D, CYS54C, CYS54D, GLN135C, GLN135D, GLN139C, GLN139D, GLN56C, GLN56D, GLN71C, GLN71D, GLN76C, GLN76D, GLN95C, GLN95D, GLN96C, GLN96D, GLU104C, GLU104D, GLU120C, GLU120D, GLU65C, GLU65D, GLU90C, GLU90D, GLY50C, GLY50D, GLY60D, GLY66C, GLY66D, GLY87C, GLY87D, HIS106C, HIS106D, HIS93C, HIS93D, ILE101C, ILE101D, ILE69C, ILE69D, LEU105C, LEU105D, LEU44C, LEU44D, LEU55C, LEU55D, LEU57C, LEU57D, LEU63C, LEU63D, LEU94C, LEU94D, LEU98C, LEU98D, LYS107C, LYS107D, LYS122C, LYS122D, LYS35C, LYS35D, MET1C, PHE100C, PHE100D, PHE89C, PHE89D, PRO111C, PRO111D, PRO48C, PRO48D, PRO53C, PRO53D, PRO67C, PRO67D, SER102C, SER102D, SER103C, SER103D, SER108C, SER108D, SER110C, SER117C, SER117D, SER118C, SER118D, SER128C, SER128D, SER88C, SER88D, THR131C, THR131D, THR62C, THR62D, THR64C, THR64D, TRP121C, TRP121D, TRP97C, TRP97D, TYR157C, TYR157D, TYR51C, TYR51D, TYR72C, TYR72D, TYR92C, TYR92D, VAL125C, VAL125D, VAL46D, VAL70C, VAL70D, VAL73C, VAL73D