1TW9

glutathione transferase-2, apo form, from the nematode heligmosomoides polygyrus

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 23
  • Norm. En. per Res.: -4.319
• 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	-10.7302	-12.2918	-326.245	-349.267	122	3	14	12365	2	15	17
A-C	0.0	-13.1551	-36.6149	-49.77	36	0	0	1744	0	8	5
A-D	-28.0532	0.0	-56.9971	-85.0503	20	5	1	1701	0	4	7
B-C	-30.3269	0.0	-55.0181	-85.345	20	4	1	1609	0	4	7
B-D	0.0	-13.9203	-38.7466	-52.6669	37	0	0	1810	0	8	6
C-D	0.0	-25.1692	-328.469	-353.6382	127	3	14	12544	2	20	18
C-G	0.0	9.6893	-0.5161	9.1732	9	0	0	96	0	5	6
C-H	0.0	0.0	-12.8919	-12.8919	28	1	0	953	0	9	11
D-G	0.0	0.0	-0.9601	-0.9601	10	0	0	155	0	4	3
E-F	-12.6348	-17.8281	-326.212	-356.6748	124	5	15	12486	2	20	18
E-G	0.0	-15.0296	-46.2886	-61.3182	38	0	0	2041	0	8	5
E-H	-32.3457	0.0	-66.9908	-99.3365	23	4	1	1810	0	4	7
F-G	-32.579	0.0	-63.1114	-95.6904	23	2	1	1717	0	4	7
F-H	0.0	-11.5568	-37.975	-49.5318	34	0	0	1784	0	8	6
G-H	-9.862	-40.3133	-340.638	-390.8133	125	5	15	12746	2	19	21

Interface residues

• A-B: ALA100A, ALA100B, ALA44A, ALA44B, ALA62A, ALA62B, ALA66A, ALA66B, ALA86A, ALA86B, ALA92A, ALA92B, ALA94A, ALA94B, ARG69A, ARG69B, ASP57A, ASP57B, ASP89A, ASP89B, ASP93A, ASP93B, ASP97A, ASP97B, CYS68A, CYS68B, GLN50A, GLN50B, GLN59A, GLN59B, GLN60A, GLN60B, GLN63A, GLN63B, GLN65A, GLN65B, GLU101A, GLU101B, GLU55A, GLU55B, GLU84A, GLU84B, GLY134A, GLY134B, GLY49A, GLY49B, GLY58A, GLY58B, ILE136A, ILE136B, ILE67A, ILE67B, ILE88A, ILE88B, LEU148A, LEU148B, LEU54A, LEU54B, LEU61A, LEU61B, LEU71A, LEU71B, LEU87A, LEU87B, LEU91A, LEU91B, LYS131A, LYS131B, LYS138A, LYS138B, LYS142A, LYS142B, LYS43A, LYS43B, LYS73A, LYS73B, PHE132A, PHE132B, PHE135A, PHE135B, PHE139A, PHE139B, PHE46A, PHE46B, PHE48A, PHE48B, PHE83A, PHE83B, PRO47A, PRO47B, PRO82A, PRO82B, SER64A, SER64B, SER85A, SER85B, SER90A, SER90B, THR45A, THR45B, THR74A, THR74B, THR81A, THR81B, THR96A, THR96B, TRP155A, TRP155B, TYR4A, TYR4B, TYR70A, TYR70B, TYR95A, TYR95B, TYR98A, TYR98B, VAL156A, VAL156B, VAL53A, VAL53B, VAL56A, VAL56B
• A-C: ALA25A, ALA72A, ALA72C, ALA78A, ALA78C, ALA80A, ALA80C, ASP151A, ASP151C, GLU84A, GLU84C, GLY150A, GLY150C, GLY76A, GLY76C, GLY79A, GLY79C, ILE153C, LEU71A, LEU71C, LYS152A, LYS152C, LYS73A, LYS73C, PHE75A, PHE75C, PHE77A, PHE77C, PHE83A, PHE83C, PRO82A, PRO82C, THR74A, THR74C, THR81A, THR81C
• A-D: ASP57A, ASP57D, GLN27A, GLN27D, GLN59A, GLN59D, GLY58A, GLY58D, HIS3A, HIS3D, MET1A, MET1D, PRO82A, PRO82D, TYR4A, TYR4D, VAL2A, VAL2D, VAL56A, VAL56D
• B-C: ASP57B, ASP57C, GLN27B, GLN27C, GLN59B, GLN59C, GLY58B, GLY58C, HIS3B, HIS3C, MET1B, MET1C, PRO82B, PRO82C, TYR4B, TYR4C, VAL2B, VAL2C, VAL56B, VAL56C
• B-D: ALA25B, ALA25D, ALA72B, ALA72D, ALA78B, ALA78D, ALA80B, ALA80D, ASP151B, ASP151D, GLU84B, GLU84D, GLY150B, GLY150D, GLY76B, GLY76D, GLY79B, GLY79D, ILE153B, LEU71B, LEU71D, LYS152B, LYS152D, LYS73B, LYS73D, PHE75B, PHE75D, PHE77B, PHE77D, PHE83B, PHE83D, PRO82B, PRO82D, THR74B, THR74D, THR81B, THR81D
• C-D: ALA100C, ALA100D, ALA44C, ALA44D, ALA62C, ALA62D, ALA66C, ALA66D, ALA78C, ALA86C, ALA86D, ALA92C, ALA92D, ALA94C, ALA94D, ARG69C, ARG69D, ASP57C, ASP57D, ASP89C, ASP89D, ASP93C, ASP93D, ASP97C, ASP97D, CYS68C, CYS68D, GLN50C, GLN50D, GLN59C, GLN59D, GLN60C, GLN60D, GLN63C, GLN63D, GLN65C, GLN65D, GLU101C, GLU101D, GLU55C, GLU55D, GLU84C, GLU84D, GLY134C, GLY134D, GLY49C, GLY49D, GLY58C, GLY58D, ILE136C, ILE136D, ILE67C, ILE67D, ILE88C, ILE88D, LEU148C, LEU148D, LEU54C, LEU54D, LEU61C, LEU61D, LEU71C, LEU71D, LEU87C, LEU87D, LEU91C, LEU91D, LYS103C, LYS103D, LYS131C, LYS131D, LYS138C, LYS138D, LYS142C, LYS142D, LYS43C, LYS43D, LYS73C, LYS73D, PHE132C, PHE132D, PHE135C, PHE135D, PHE139C, PHE139D, PHE46C, PHE46D, PHE48C, PHE48D, PHE83C, PHE83D, PRO47C, PRO47D, PRO82C, PRO82D, SER64C, SER64D, SER85C, SER85D, SER90C, SER90D, THR137D, THR45C, THR45D, THR74C, THR74D, THR81C, THR81D, THR96C, THR96D, TRP155C, TRP155D, TYR4C, TYR4D, TYR70C, TYR70D, TYR95C, TYR95D, TYR98C, TYR98D, VAL149D, VAL156C, VAL156D, VAL53C, VAL53D, VAL56C, VAL56D
• C-G: ASP123C, ASP123G, ASP97G, GLU101C, GLU101G, LYS119C, LYS131C, LYS131G, PHE135G
• C-H: ASP118H, ASP123C, ASP123H, GLN36C, GLN36H, GLN50H, GLU37C, GLY49H, LYS119C, LYS119H, LYS121C, LYS121H, LYS43H, PHE206C, PHE39C, PHE39H, PHE48H, PHE9C, PHE9H, PRO120H, PRO205C, THR122C, THR122H, THR35C, TYR106C, VAL40C, VAL40H, VAL51H
• D-G: ASP123D, ASP123G, GLN36D, GLN36G, LYS119D, LYS121G, LYS43D, THR122D, THR122G, VAL40D
• E-F: ALA100E, ALA100F, ALA44E, ALA44F, ALA62E, ALA62F, ALA66E, ALA66F, ALA86E, ALA86F, ALA92E, ALA92F, ALA94E, ALA94F, ARG69E, ARG69F, ASP57E, ASP57F, ASP89E, ASP89F, ASP93E, ASP93F, ASP97E, ASP97F, CYS68E, CYS68F, GLN50E, GLN50F, GLN59E, GLN59F, GLN60E, GLN60F, GLN63E, GLN63F, GLN65E, GLN65F, GLU101E, GLU55E, GLU55F, GLU84E, GLU84F, GLY134E, GLY134F, GLY49E, GLY49F, GLY58E, GLY58F, ILE136E, ILE136F, ILE67E, ILE67F, ILE88E, ILE88F, LEU148E, LEU148F, LEU54E, LEU54F, LEU61E, LEU61F, LEU71E, LEU71F, LEU87E, LEU87F, LEU91E, LEU91F, LYS103F, LYS131E, LYS131F, LYS138E, LYS138F, LYS142E, LYS142F, LYS43E, LYS43F, LYS73E, LYS73F, PHE132E, PHE132F, PHE135E, PHE135F, PHE139E, PHE139F, PHE46E, PHE46F, PHE48E, PHE48F, PHE83E, PHE83F, PRO47E, PRO47F, PRO82E, PRO82F, SER64E, SER64F, SER85E, SER85F, SER90E, SER90F, THR137F, THR45E, THR45F, THR74E, THR74F, THR81E, THR81F, THR96E, THR96F, TRP155E, TRP155F, TYR4E, TYR4F, TYR70E, TYR70F, TYR95E, TYR95F, TYR98E, TYR98F, VAL149E, VAL156E, VAL156F, VAL53E, VAL53F, VAL56E, VAL56F
• E-G: ALA25E, ALA25G, ALA72E, ALA72G, ALA78E, ALA78G, ALA80E, ALA80G, ASP151E, ASP151G, GLU84E, GLU84G, GLY150E, GLY150G, GLY76E, GLY76G, GLY79E, GLY79G, ILE153E, ILE153G, LEU71E, LEU71G, LYS152E, LYS152G, LYS73E, LYS73G, PHE75E, PHE75G, PHE77E, PHE77G, PHE83E, PHE83G, PRO82E, PRO82G, THR74E, THR74G, THR81E, THR81G
• E-H: ASP57E, ASP57H, GLN27E, GLN27H, GLN59E, GLN59H, GLU55H, GLY58E, GLY58H, HIS3E, HIS3H, MET1E, MET1H, PRO82E, PRO82H, THR74H, TYR4E, TYR4H, TYR70E, VAL2E, VAL2H, VAL56E, VAL56H
• F-G: ASP57F, ASP57G, GLN27F, GLN27G, GLN59F, GLN59G, GLU55F, GLY58F, GLY58G, HIS3F, HIS3G, MET1F, MET1G, PRO82F, PRO82G, THR74F, TYR4F, TYR4G, TYR70G, VAL2F, VAL2G, VAL56F, VAL56G
• F-H: ALA25F, ALA25H, ALA72F, ALA72H, ALA78F, ALA78H, ALA80F, ALA80H, ASP151F, ASP151H, GLU84F, GLU84H, GLY76F, GLY76H, GLY79F, GLY79H, LEU71F, LEU71H, LYS152F, LYS152H, LYS73F, LYS73H, PHE75F, PHE75H, PHE77F, PHE77H, PHE83F, PHE83H, PRO82F, PRO82H, THR74F, THR74H, THR81F, THR81H
• G-H: ALA100G, ALA100H, ALA44G, ALA44H, ALA62G, ALA62H, ALA66G, ALA66H, ALA78H, ALA86G, ALA86H, ALA92G, ALA92H, ALA94G, ALA94H, ARG69G, ARG69H, ASP57G, ASP57H, ASP89G, ASP89H, ASP93G, ASP93H, ASP97G, ASP97H, CYS68G, CYS68H, GLN50G, GLN50H, GLN59G, GLN59H, GLN60G, GLN60H, GLN63G, GLN63H, GLN65G, GLN65H, GLU101G, GLU101H, GLU55G, GLU55H, GLU84G, GLU84H, GLY134G, GLY134H, GLY49G, GLY49H, GLY58G, GLY58H, ILE136G, ILE136H, ILE67G, ILE67H, ILE88G, ILE88H, LEU148G, LEU148H, LEU54G, LEU54H, LEU61G, LEU61H, LEU71G, LEU71H, LEU87G, LEU87H, LEU91G, LEU91H, LYS103G, LYS131G, LYS131H, LYS138G, LYS138H, LYS142G, LYS142H, LYS43G, LYS43H, LYS73G, LYS73H, PHE132G, PHE132H, PHE135G, PHE135H, PHE139G, PHE139H, PHE46G, PHE46H, PHE48G, PHE48H, PHE83G, PHE83H, PRO47G, PRO47H, PRO82G, PRO82H, SER64G, SER64H, SER85G, SER85H, SER90G, SER90H, THR45G, THR45H, THR74G, THR74H, THR81G, THR81H, THR96G, THR96H, TRP155G, TRP155H, TYR4G, TYR4H, TYR70G, TYR70H, TYR95G, TYR95H, TYR98G, TYR98H, VAL149H, VAL156G, VAL156H, VAL53G, VAL53H, VAL56G, VAL56H