2C3Q

human glutathione-s-transferase t1-1 w234r mutant, complex with s-hexylglutathione

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 141
  • Norm. En. per Res.: -3.2767
• 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	-41.1338	-26.0009	-394.88	-462.0147	141	10	12	15454	7	49	55
A-C	-10.6492	-2.3385	-12.419	-25.4067	24	1	0	957	1	9	13
A-D	-18.9526	17.2254	-85.1696	-86.8968	44	3	1	3492	0	18	16
B-C	0.0	-8.2494	-8.7742	-17.0236	20	0	0	422	1	10	8
C-D	-34.9485	-11.5216	-390.107	-436.5772	141	7	11	15333	5	48	55

Interface residues

• A-B: ALA100A, ALA100B, ALA237A, ALA237B, ALA56A, ALA56B, ALA69A, ALA69B, ALA91A, ALA91B, ALA93A, ALA93B, ARG107A, ARG107B, ARG108A, ARG108B, ARG112A, ARG112B, ARG234A, ARG234B, ARG240A, ARG240B, ARG76A, ARG76B, ARG92A, ARG92B, ARG94A, ARG94B, ASN49A, ASN49B, ASP149A, ASP149B, ASP59A, ASP59B, ASP61A, ASP61B, ASP88A, ASP88B, ASP96A, ASP96B, GLN102A, GLN102B, GLN153A, GLN153B, GLN87A, GLN87B, GLN90A, GLN90B, GLU139A, GLU139B, GLU66A, GLU66B, GLU97A, GLU97B, GLY60A, GLY60B, HIS103A, HIS103B, ILE239A, ILE239B, ILE70A, ILE70B, LEU106A, LEU106B, LEU111A, LEU111B, LEU140A, LEU146A, LEU146B, LEU147A, LEU147B, LEU236A, LEU236B, LEU51A, LEU51B, LEU57A, LEU57B, LEU64A, LEU64B, LEU71A, LEU71B, LEU72A, LEU72B, LEU74A, LEU74B, LEU89A, LEU89B, LEU99A, LEU99B, LYS150A, LYS150B, LYS53A, LYS53B, LYS77A, LYS77B, LYS79A, LYS79B, MET238A, MET238B, PHE151A, PHE151B, PHE62A, PHE62B, PRO50A, PRO50B, PRO86A, PRO86B, SER109A, SER109B, SER67A, SER67B, THR104A, THR104B, THR105A, THR105B, THR143A, THR143B, THR63A, THR63B, THR65A, THR65B, THR75A, THR75B, TRP101A, TRP101B, TYR73A, TYR73B, TYR78A, TYR78B, TYR85A, TYR85B, TYR98A, TYR98B, VAL142A, VAL142B, VAL48A, VAL48B, VAL68A, VAL68B, VAL95A, VAL95B
• A-C: ALA156A, ALA91A, ARG76C, ARG94A, ASN154A, ASP59C, ASP61C, ASP88A, GLN153A, GLN87A, GLN87C, GLN90A, GLY160A, GLY2C, GLY60C, LEU89A, LYS155A, LYS77C, LYS79C, PHE62C, PRO161A, THR159A, TYR73C, TYR78C
• A-D: ALA156D, ALA200A, ALA201A, ALA91A, ALA91D, ARG92A, ARG92D, ARG94A, ARG94D, ASN24A, ASP82A, ASP82D, ASP88A, ASP88D, GLN87A, GLN87D, GLN90A, GLN90D, GLY160D, HIS162A, HIS162D, ILE163A, LEU89A, LEU89D, LYS155D, LYS23A, LYS79A, LYS79D, PHE157A, PRO161A, PRO161D, PRO81A, PRO81D, PRO86A, PRO86D, SER164A, THR159D, TRP84A, TYR78A, TYR83A, TYR83D, TYR85A, TYR85D, VAL80A
• B-C: ARG76B, ASP25C, ASP59B, ASP59C, ASP61B, ASP61C, GLY2C, GLY60B, GLY60C, ILE26C, LEU3C, LYS77B, LYS77C, LYS79B, LYS79C, PHE62B, PHE62C, PRO27C, TYR73B, TYR78C
• C-D: ALA100C, ALA100D, ALA237C, ALA237D, ALA56C, ALA56D, ALA69C, ALA69D, ALA91C, ALA91D, ALA93C, ALA93D, ARG107C, ARG107D, ARG108C, ARG108D, ARG112C, ARG112D, ARG234C, ARG234D, ARG240C, ARG240D, ARG76C, ARG76D, ARG92C, ARG92D, ARG94C, ARG94D, ASN49C, ASN49D, ASP149C, ASP149D, ASP59C, ASP59D, ASP61C, ASP61D, ASP88C, ASP88D, ASP96C, ASP96D, GLN102C, GLN102D, GLN153C, GLN153D, GLN87C, GLN87D, GLN90C, GLN90D, GLU139C, GLU139D, GLU66C, GLU66D, GLU97C, GLU97D, GLY60C, GLY60D, HIS103C, HIS103D, ILE239C, ILE239D, ILE70C, ILE70D, LEU106C, LEU106D, LEU111C, LEU111D, LEU140C, LEU146C, LEU146D, LEU147C, LEU147D, LEU236C, LEU236D, LEU51C, LEU51D, LEU57C, LEU57D, LEU64C, LEU64D, LEU71C, LEU71D, LEU72C, LEU72D, LEU74C, LEU74D, LEU89C, LEU89D, LEU99C, LEU99D, LYS150C, LYS150D, LYS53C, LYS53D, LYS77C, LYS77D, LYS79C, LYS79D, MET238C, MET238D, PHE151C, PHE151D, PHE62C, PHE62D, PRO50C, PRO50D, PRO86C, PRO86D, SER109C, SER109D, SER67C, SER67D, THR104C, THR104D, THR105C, THR105D, THR143C, THR143D, THR63C, THR63D, THR65C, THR65D, THR75C, THR75D, TRP101C, TRP101D, TYR73C, TYR73D, TYR78C, TYR78D, TYR85C, TYR85D, TYR98C, TYR98D, VAL142C, VAL142D, VAL48C, VAL48D, VAL68C, VAL68D, VAL95C, VAL95D