3I69

apo glutathione transferase a1-1 gimf-helix mutant

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 140
  • Norm. En. per Res.: -3.0165
• Hub Node: A(5)

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	-28.5804	-17.9228	-375.803	-422.3063	140	14	10	15542	1	37	43
A-C	-2.7032	-4.0198	-32.907	-39.6301	31	1	0	1587	0	13	8
A-D	-6.9883	-2.516	-53.7773	-63.2816	40	0	0	2144	0	22	18
A-E	0.0	0.0	-0.0469	-0.0469	6	0	0	21	0	1	4
A-F	0.0	-11.6124	-31.0301	-42.6425	40	2	0	1928	0	27	27
B-C	-3.7093	8.2595	-29.75	-25.1998	28	0	0	1417	0	10	15
B-F	0.0	0.0	-0.0391	-0.0391	7	0	0	34	0	7	9
C-D	-22.4038	-14.4634	-390.194	-427.0612	142	14	10	15556	2	38	42
E-F	-5.3983	-20.5865	-372.355	-398.3398	139	12	12	15265	1	39	41
E-H	0.0	15.0136	-18.201	-3.1874	23	1	2	950	0	14	11
F-H	0.0	0.0	-0.4753	-0.4753	12	0	0	144	0	6	5
G-H	-8.0113	-13.5165	-395.043	-416.5708	141	10	11	15522	2	38	41

Interface residues

• A-B: ALA100A, ALA100B, ALA135A, ALA135B, ALA156B, ALA2A, ALA70A, ALA70B, ALA76A, ALA76B, ALA90A, ALA90B, ARG131A, ARG131B, ARG155A, ARG155B, ARG15A, ARG15B, ARG45A, ARG45B, ARG69A, ARG69B, ARG89A, ARG89B, ASN130A, ASN130B, ASN73A, ASN73B, ASN80A, ASN80B, ASP101A, ASP101B, ASP47A, ASP47B, ASP61A, ASP61B, ASP85A, ASP85B, ASP93A, ASP93B, GLN53A, GLN53B, GLN54A, GLN54B, GLN67A, GLN67B, GLU104B, GLU137A, GLU137B, GLU88A, GLU88B, GLU97A, GLU97B, GLY48A, GLY48B, GLY62A, GLY62B, GLY98A, GLY98B, ILE60A, ILE60B, ILE71A, ILE71B, ILE75A, ILE75B, ILE86A, ILE86B, ILE92A, ILE92B, ILE96A, ILE96B, ILE99A, ILE99B, LEU102A, LEU102B, LEU140A, LEU140B, LEU148A, LEU148B, LEU160A, LEU160B, LEU41A, LEU41B, LEU50A, LEU50B, LEU65A, LEU65B, LEU72A, LEU72B, LEU91A, LEU91B, LYS127A, LYS127B, LYS138A, LYS138B, LYS64A, LYS64B, LYS78A, LYS78B, LYS87A, LYS87B, MET51A, MET51B, MET57A, MET57B, MET63A, MET63B, MET94A, MET94B, PHE133A, PHE133B, PHE136A, PHE136B, PHE220B, PHE52A, PHE52B, PRO134A, PRO134B, SER77A, SER77B, THR68A, THR68B, TYR132A, TYR132B, TYR49A, TYR49B, TYR74A, TYR74B, TYR79A, TYR79B, TYR82A, TYR82B, TYR95A, TYR95B, VAL139A, VAL139B, VAL55A, VAL55B, VAL66A, VAL66B
• A-C: ALA135C, ALA38A, ARG214A, ARG45A, ASN218A, ASN46A, ASP40A, ASP42A, ASP47A, GLN53A, GLU137C, GLU39A, GLY144C, HIS143C, LEU140C, LEU180C, LEU41A, LEU44A, LEU91C, LYS138C, LYS141C, LYS43A, LYS87C, MET51A, MET94C, PHE220A, PHE52A, PRO134C, SER142C, TYR217A, VAL139C
• A-D: ALA2D, ALA38A, ARG214A, ARG45D, ASN218A, ASN46A, ASN46D, ASP40A, ASP42A, ASP47A, ASP47D, ASP61D, GLN53D, GLU39A, GLU3D, GLU59D, GLY48D, GLY62D, ILE211A, ILE219A, ILE35A, ILE60D, LEU41A, LEU44A, LEU44D, LEU50D, LEU65D, LYS33A, LYS36A, LYS43A, LYS43D, LYS64D, MET51D, MET57D, MET63D, PHE34A, SER37A, THR215A, TYR49D, VAL66D
• A-E: GLY27A, LYS138E, LYS141E, LYS196A, PRO192A, SER142E
• A-F: ALA26A, ALA2A, ALA38F, ASN46F, ASN80A, ASP40F, ASP42F, ASP47F, ASP61A, ASP61F, ASP85A, GLU29A, GLU31F, GLU39F, GLU3A, GLU59F, GLY27A, GLY48F, GLY62A, GLY62F, HIS8F, ILE60A, LEU44F, LEU81A, LYS152A, LYS33F, LYS43F, LYS4A, LYS4F, LYS64F, LYS6F, LYS78A, LYS84A, MET57F, PRO5A, SER77A, TYR49F, TYR74A, TYR79A, VAL28A
• B-C: ALA119B, ALA122B, ALA135B, ALA183C, ARG131B, ARG187C, ASN130B, ASN151C, ASP146C, GLN145C, GLU126B, GLU137C, GLY144C, HIS143C, LEU123B, LEU140C, LEU180C, LYS127B, LYS129B, LYS138B, LYS141C, PHE178B, PRO134B, PRO179C, SER142C, SER177B, TYR132B, TYR147C
• B-F: ASP40F, GLU39F, ILE86B, LYS33F, LYS43F, LYS6F, LYS87B
• C-D: ALA100C, ALA100D, ALA135C, ALA135D, ALA156D, ALA2C, ALA70C, ALA70D, ALA76C, ALA76D, ALA90C, ALA90D, ARG131C, ARG131D, ARG155C, ARG155D, ARG15D, ARG45C, ARG45D, ARG69C, ARG69D, ARG89C, ARG89D, ASN130C, ASN130D, ASN46C, ASN73C, ASN73D, ASN80C, ASN80D, ASP101C, ASP101D, ASP47C, ASP47D, ASP61C, ASP61D, ASP85C, ASP85D, ASP93C, ASP93D, GLN53C, GLN53D, GLN54C, GLN54D, GLN67C, GLN67D, GLU104D, GLU126D, GLU137C, GLU137D, GLU88C, GLU88D, GLU97C, GLU97D, GLY48C, GLY48D, GLY62C, GLY62D, GLY98C, GLY98D, ILE60C, ILE60D, ILE71C, ILE71D, ILE75C, ILE75D, ILE86C, ILE86D, ILE92C, ILE92D, ILE96C, ILE96D, ILE99C, ILE99D, LEU102C, LEU102D, LEU140C, LEU140D, LEU148C, LEU148D, LEU160C, LEU160D, LEU41C, LEU41D, LEU50C, LEU50D, LEU65C, LEU65D, LEU72D, LEU91C, LEU91D, LYS127C, LYS127D, LYS138C, LYS138D, LYS64C, LYS64D, LYS78C, LYS78D, LYS87C, LYS87D, MET51C, MET51D, MET57C, MET57D, MET63C, MET63D, MET94C, MET94D, PHE133C, PHE133D, PHE136C, PHE136D, PHE220C, PHE220D, PHE52C, PHE52D, PRO134C, PRO134D, SER77C, SER77D, THR68C, THR68D, TYR132C, TYR132D, TYR49C, TYR49D, TYR74C, TYR74D, TYR79C, TYR79D, TYR82C, TYR82D, TYR95C, TYR95D, VAL139C, VAL139D, VAL149C, VAL55C, VAL55D, VAL66C, VAL66D
• E-F: ALA100E, ALA100F, ALA135E, ALA135F, ALA70E, ALA70F, ALA76E, ALA76F, ALA90E, ALA90F, ARG131E, ARG131F, ARG155E, ARG155F, ARG15E, ARG15F, ARG45E, ARG45F, ARG69E, ARG69F, ARG89E, ARG89F, ASN130E, ASN130F, ASN46E, ASN73E, ASN73F, ASN80E, ASN80F, ASP101E, ASP101F, ASP47E, ASP47F, ASP61E, ASP61F, ASP85E, ASP85F, ASP93E, ASP93F, GLN53E, GLN53F, GLN54E, GLN54F, GLN67E, GLN67F, GLU104E, GLU104F, GLU137E, GLU137F, GLU88E, GLU88F, GLU97E, GLU97F, GLY48E, GLY48F, GLY62E, GLY62F, GLY98E, GLY98F, ILE60E, ILE60F, ILE71E, ILE71F, ILE75E, ILE75F, ILE86E, ILE86F, ILE92E, ILE92F, ILE96E, ILE96F, ILE99E, ILE99F, LEU102E, LEU102F, LEU140E, LEU140F, LEU148E, LEU148F, LEU160E, LEU160F, LEU41E, LEU41F, LEU50E, LEU50F, LEU65E, LEU65F, LEU72E, LEU72F, LEU91E, LEU91F, LYS127E, LYS127F, LYS138E, LYS138F, LYS64E, LYS64F, LYS78E, LYS78F, LYS87E, LYS87F, MET51E, MET51F, MET57E, MET57F, MET63E, MET63F, MET94E, MET94F, PHE133E, PHE133F, PHE136E, PHE136F, PHE220E, PHE52E, PHE52F, PRO134E, PRO134F, SER77E, SER77F, THR68E, THR68F, TYR132E, TYR132F, TYR49E, TYR49F, TYR74E, TYR74F, TYR79E, TYR79F, TYR82E, TYR82F, TYR95E, TYR95F, VAL139E, VAL139F, VAL55E, VAL66E, VAL66F
• E-H: ALA119H, ALA122H, ALA2E, ASN130H, ASP61E, GLU126H, GLU3E, GLU59E, GLY62E, ILE60E, LEU123H, LEU174H, LYS125H, LYS127H, LYS129H, LYS4E, LYS64E, LYS6E, LYS78E, MET63E, SER173H, SER177H, TYR49E
• F-H: ALA122H, ASP171H, GLN145F, GLU126H, HIS143F, LEU174H, LYS125H, LYS87F, SER142F, SER172H, SER173H, SER176H
• G-H: ALA100G, ALA100H, ALA135G, ALA135H, ALA70G, ALA70H, ALA76G, ALA76H, ALA90G, ALA90H, ARG131G, ARG131H, ARG155G, ARG155H, ARG15G, ARG15H, ARG45G, ARG45H, ARG69G, ARG69H, ARG89G, ARG89H, ASN130G, ASN130H, ASN73G, ASN73H, ASN80G, ASN80H, ASP101G, ASP101H, ASP47G, ASP47H, ASP61G, ASP61H, ASP85G, ASP85H, ASP93G, ASP93H, GLN53G, GLN53H, GLN54G, GLN54H, GLN67G, GLN67H, GLU104G, GLU137G, GLU137H, GLU88G, GLU88H, GLU97G, GLU97H, GLY48G, GLY48H, GLY62G, GLY62H, GLY98G, GLY98H, ILE60G, ILE60H, ILE71G, ILE71H, ILE75G, ILE75H, ILE86G, ILE86H, ILE92G, ILE92H, ILE96G, ILE96H, ILE99G, ILE99H, LEU102G, LEU102H, LEU140G, LEU140H, LEU148G, LEU148H, LEU160G, LEU160H, LEU41G, LEU41H, LEU50G, LEU50H, LEU65G, LEU65H, LEU72G, LEU72H, LEU91G, LEU91H, LYS127G, LYS127H, LYS138G, LYS138H, LYS64G, LYS64H, LYS78G, LYS78H, LYS87G, LYS87H, MET105G, MET51G, MET51H, MET57G, MET57H, MET63G, MET63H, MET94G, MET94H, PHE133G, PHE133H, PHE136G, PHE136H, PHE220G, PHE220H, PHE52G, PHE52H, PRO134G, PRO134H, SER77G, SER77H, THR68G, THR68H, TYR132G, TYR132H, TYR49G, TYR49H, TYR74G, TYR74H, TYR79G, TYR79H, TYR82G, TYR82H, TYR95G, TYR95H, VAL139G, VAL139H, VAL149G, VAL55G, VAL55H, VAL66G, VAL66H