1Q5Y

nickel-bound c-terminal regulatory domain of nikr

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 87
  • Norm. En. per Res.: -3.53
• 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	-26.8562	-48.7301	-165.492	-241.0783	76	8	18	8498	5	15	23
A-C	-61.7394	27.8731	-261.103	-294.9693	91	16	5	9505	0	50	59
A-D	0.0	0.0	-11.852	-11.852	24	0	6	743	0	2	4
B-C	0.0	0.0	-13.8251	-13.8251	24	0	6	787	0	2	3
B-D	-77.6724	33.6985	-263.137	-307.1108	87	23	8	9716	0	50	53
C-D	-21.3806	-46.9965	-163.654	-232.0311	75	7	21	8733	5	12	22

Interface residues

• A-B: ALA54A, ALA54B, ALA84A, ALA84B, ALA99A, ALA99B, ARG122A, ARG122B, ASN91A, ASN91B, ASP133A, ASP93B, ASP94A, ASP94B, CYS128A, CYS128B, CYS95A, CYS95B, GLN127A, GLN127B, GLU132A, GLU132B, GLU97A, GLU97B, GLY124A, GLY124B, GLY52A, GLY52B, HIS123A, HIS123B, HIS125A, HIS125B, HIS87A, HIS87B, HIS89A, HIS89B, ILE90A, ILE90B, ILE98A, ILE98B, LEU101A, LEU101B, LEU126A, LEU126B, LEU129A, LEU129B, LEU56A, LEU56B, LEU86A, LEU86B, LEU96A, LEU96B, LYS102A, LYS102B, LYS131A, LYS131B, PHE53A, PHE53B, PRO130A, PRO130B, SER57A, SER57B, THR85A, THR85B, TYR58A, TYR58B, VAL100A, VAL100B, VAL55A, VAL55B, VAL59A, VAL59B, VAL83A, VAL83B, VAL88A, VAL88B
• A-C: ALA68A, ALA68C, ALA84A, ALA84C, ALA99A, ALA99C, ARG65A, ARG65C, ARG70A, ARG70C, ASN91A, ASN91C, ASP66A, ASP66C, ASP80A, ASP80C, ASP93A, ASP93C, ASP94A, ASP94C, CYS95A, CYS95C, GLN75A, GLN75C, GLU61A, GLU61C, GLU63A, GLU63C, GLU97A, GLU97C, HIS62A, HIS62C, HIS76A, HIS76C, HIS77A, HIS77C, HIS78A, HIS78C, HIS79A, HIS79C, HIS87A, HIS87C, HIS89A, HIS89C, HIS92A, HIS92C, ILE71A, ILE71C, ILE90A, ILE90C, ILE98A, ILE98C, LEU101A, LEU101C, LEU56C, LEU67A, LEU67C, LEU81A, LEU81C, LEU86A, LEU86C, LEU96A, LEU96C, LYS64C, PHE111A, PHE111C, SER69A, SER69C, SER73A, SER73C, SER82A, SER82C, THR74A, THR74C, THR85A, THR85C, TYR58A, TYR58C, TYR60A, TYR60C, VAL100A, VAL100C, VAL115C, VAL59A, VAL59C, VAL72A, VAL72C, VAL83A, VAL83C, VAL88A, VAL88C
• A-D: ALA84A, ALA84D, ASP80A, ASP80D, HIS79A, HIS79D, HIS87A, HIS87D, LEU86A, LEU86D, LYS102A, LYS102D, PHE53A, PHE53D, SER82A, SER82D, THR85A, THR85D, VAL100A, VAL100D, VAL83A, VAL83D, VAL88A, VAL88D
• B-C: ALA84B, ALA84C, ASP80B, ASP80C, HIS79B, HIS79C, HIS87B, HIS87C, LEU86B, LEU86C, LYS102B, LYS102C, PHE53B, PHE53C, SER82B, SER82C, THR85B, THR85C, VAL100B, VAL100C, VAL83B, VAL83C, VAL88B, VAL88C
• B-D: ALA68B, ALA68D, ALA84B, ALA84D, ALA99B, ALA99D, ARG65B, ARG70B, ARG70D, ASN91B, ASN91D, ASP66B, ASP80B, ASP80D, ASP93B, ASP93D, ASP94B, ASP94D, CYS95B, CYS95D, GLN75B, GLN75D, GLU61B, GLU61D, GLU63B, GLU63D, GLU97B, GLU97D, HIS62B, HIS62D, HIS76B, HIS76D, HIS77B, HIS77D, HIS78B, HIS78D, HIS79B, HIS79D, HIS87B, HIS87D, HIS89B, HIS89D, HIS92B, HIS92D, ILE71B, ILE71D, ILE90B, ILE90D, ILE98B, ILE98D, LEU101B, LEU101D, LEU67B, LEU67D, LEU81B, LEU81D, LEU86B, LEU86D, LEU96B, LEU96D, LYS64B, PHE111B, PHE111D, SER69B, SER69D, SER73B, SER73D, SER82B, SER82D, THR74B, THR74D, THR85B, THR85D, TYR58B, TYR58D, TYR60B, TYR60D, VAL100B, VAL100D, VAL59B, VAL59D, VAL72B, VAL72D, VAL83B, VAL83D, VAL88B, VAL88D
• C-D: ALA54C, ALA54D, ALA84C, ALA84D, ALA99C, ALA99D, ARG122C, ARG122D, ASN91C, ASN91D, ASP94C, ASP94D, CYS128C, CYS128D, CYS95C, CYS95D, GLN127C, GLN127D, GLU132C, GLU132D, GLU61D, GLU97C, GLU97D, GLY124C, GLY124D, GLY52C, GLY52D, HIS123C, HIS123D, HIS125C, HIS125D, HIS87C, HIS87D, HIS89C, HIS89D, ILE90C, ILE90D, ILE98C, ILE98D, LEU101C, LEU101D, LEU126C, LEU126D, LEU129C, LEU129D, LEU56C, LEU56D, LEU86C, LEU86D, LEU96C, LEU96D, LYS102C, LYS102D, LYS131C, LYS131D, PHE53C, PHE53D, PRO130C, PRO130D, SER57C, SER57D, THR85C, THR85D, TYR58C, TYR58D, VAL100C, VAL100D, VAL55C, VAL55D, VAL59C, VAL59D, VAL83C, VAL83D, VAL88C, VAL88D