2ON7

structure of nagst-1

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 128
  • Norm. En. per Res.: -4.0119
• Hub Node: A(2)

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	-4.6692	21.0441	-16.3705	0.0044	27	0	0	680	1	13	10
A-D	-35.4411	-90.8556	-387.231	-513.5277	128	10	14	13942	7	36	33
B-C	-24.7183	-86.42	-376.013	-487.1514	126	10	13	13908	7	32	28
B-D	0.0	0.0	-6.5927	-6.5927	13	1	0	335	0	6	4
C-D	-10.7481	-7.7887	-24.8784	-43.4152	30	1	0	1215	0	13	13

Interface residues

• A-B: ALA23B, ALA25B, ARG113A, ASP116A, ASP151B, ASP26B, GLN119A, GLN27B, GLU114A, GLU123A, GLY115A, GLY76B, ILE191B, LEU120A, LEU153B, LEU24B, LYS193B, LYS80B, PHE147B, PHE75B, PHE77B, PRO192B, SER145B, SER152B, THR108A, VAL117A, VAL124A
• A-D: ALA62A, ALA62D, ALA66A, ALA66D, ALA78A, ALA78D, ALA86A, ALA86D, ALA92A, ALA92D, ARG69A, ARG69D, ARG73A, ARG73D, ASP45A, ASP45D, ASP57A, ASP57D, ASP84A, ASP84D, ASP89A, ASP89D, ASP93A, ASP93D, ASP97A, ASP97D, CYS68D, GLN50A, GLN50D, GLN60A, GLN60D, GLN63A, GLN63D, GLN74A, GLN74D, GLN94A, GLN94D, GLU101A, GLU101D, GLU55A, GLU55D, GLU85A, GLU85D, GLY134A, GLY134D, GLY49A, GLY49D, GLY58A, GLY58D, GLY79A, GLY79D, ILE136A, ILE136D, ILE67A, ILE67D, LEU148A, LEU148D, LEU46A, LEU46D, LEU54A, LEU54D, LEU61A, LEU61D, LEU65A, LEU65D, LEU71A, LEU71D, LEU91A, LEU91D, LYS103A, LYS103D, LYS131A, LYS131D, LYS138A, LYS138D, LYS142A, LYS142D, LYS43A, LYS43D, LYS59A, LYS59D, PHE132A, PHE132D, PHE135A, PHE135D, PHE139A, PHE139D, PHE48A, PHE48D, PHE83A, PHE83D, PRO44A, PRO44D, PRO47A, PRO47D, SER64A, SER64D, SER81A, SER81D, SER90A, SER90D, SER96A, SER96D, THR82A, THR82D, TRP155A, TRP155D, TYR4A, TYR4D, TYR70A, TYR70D, TYR95A, TYR95D, TYR98A, TYR98D, VAL100A, VAL100D, VAL149D, VAL156A, VAL156D, VAL53A, VAL53D, VAL56A, VAL56D, VAL87A, VAL87D, VAL88A, VAL88D
• B-C: ALA62B, ALA62C, ALA66B, ALA66C, ALA78B, ALA78C, ALA86B, ALA86C, ALA92B, ALA92C, ARG69B, ARG69C, ARG73B, ARG73C, ASP45B, ASP45C, ASP57B, ASP57C, ASP84B, ASP84C, ASP89B, ASP89C, ASP93B, ASP93C, ASP97B, ASP97C, GLN50B, GLN50C, GLN60B, GLN60C, GLN63B, GLN63C, GLN74B, GLN74C, GLN94B, GLN94C, GLU101C, GLU55B, GLU55C, GLU85B, GLU85C, GLY134B, GLY134C, GLY49B, GLY49C, GLY58B, GLY58C, GLY79B, ILE136B, ILE136C, ILE67B, ILE67C, LEU148B, LEU148C, LEU46B, LEU46C, LEU54B, LEU54C, LEU61B, LEU61C, LEU65B, LEU65C, LEU71B, LEU71C, LEU91B, LEU91C, LYS103B, LYS103C, LYS131B, LYS131C, LYS138B, LYS138C, LYS142B, LYS142C, LYS43B, LYS43C, LYS59B, LYS59C, PHE132B, PHE132C, PHE135B, PHE135C, PHE139B, PHE139C, PHE48B, PHE48C, PHE83B, PHE83C, PRO44B, PRO44C, PRO47B, PRO47C, SER64B, SER64C, SER81B, SER81C, SER90B, SER90C, SER96B, SER96C, THR82B, THR82C, TRP155B, TRP155C, TYR4B, TYR4C, TYR70B, TYR70C, TYR95B, TYR95C, TYR98B, TYR98C, VAL100B, VAL100C, VAL149B, VAL149C, VAL156B, VAL156C, VAL2B, VAL53C, VAL56B, VAL56C, VAL87B, VAL87C, VAL88B, VAL88C
• B-D: ARG113D, ARG73B, ASP116D, ASP84B, GLN119D, GLN74B, GLU114D, GLU123D, GLY115D, LYS80B, PHE83B, SER81B, THR82B
• C-D: ALA72C, ALA78C, ARG113D, ARG73C, ASP116D, ASP84C, GLN119D, GLN74C, GLU114D, GLU118D, GLU123D, GLU85C, GLY115D, GLY76C, GLY79C, LYS122D, LYS59C, LYS80C, PHE75C, PHE77C, PHE83C, SER152C, SER81C, THR108D, THR82C, TYR4C, TYR70C, VAL117D, VAL2C, VAL56C