2HZV

nikr-operator dna complex

• Total interactions analyzed: 66
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 171
  • Norm. En. per Res.: -4.4793
• 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	-88.0009	-139.3692	-538.585	-765.9551	171	34	47	27303	9	64	55
A-C	-41.2488	18.8922	-280.794	-303.1506	89	17	7	9703	0	57	66
A-D	0.0	0.0	-10.3516	-10.3516	24	0	5	657	0	2	4
B-C	0.0	0.0	-10.8025	-10.8025	24	0	5	665	0	2	3
B-D	-64.8215	41.301	-237.837	-261.3575	84	24	8	9602	0	52	59
C-D	-93.1436	-68.6981	-522.07	-683.9117	170	34	46	27052	7	65	55
E-F	-98.5946	-107.4679	-527.551	-733.6136	170	31	45	27177	8	64	56
E-G	-34.2983	19.6249	-260.126	-274.7994	89	19	7	9722	0	57	66
E-H	0.0	0.0	-10.6619	-10.6619	24	0	6	659	0	2	4
F-G	0.0	0.0	-9.8795	-9.8795	22	0	4	638	0	2	3
F-H	-65.9753	40.5022	-242.684	-268.1571	85	21	8	9528	0	52	59
G-H	-100.7362	-128.7276	-534.006	-763.4698	173	43	47	27571	10	65	57

Interface residues

• A-B: ALA112B, ALA117B, ALA31A, ALA31B, ALA39A, ALA39B, ALA41A, ALA41B, ALA44A, ALA44B, ALA54A, ALA54B, ALA84A, ALA84B, ALA99A, ALA99B, ARG119B, ARG122A, ARG122B, ARG22A, ARG22B, ARG23A, ARG23B, ARG28A, ARG28B, ARG33A, ARG33B, ARG37A, ARG37B, ARG3A, ARG3B, ARG65B, ASN26A, ASN27A, ASN27B, ASN91A, ASN91B, ASP10A, ASP10B, ASP113B, ASP114B, ASP11A, ASP11B, ASP17A, ASP17B, ASP34A, ASP34B, ASP94B, ASP9A, ASP9B, CYS128A, CYS128B, CYS95A, CYS95B, GLN109B, GLN118B, GLN127A, GLN127B, GLN21A, GLN2A, GLN2B, GLN42A, GLN42B, GLN46A, GLN46B, GLN47A, GLN51B, GLU14A, GLU14B, GLU30A, GLU30B, GLU43A, GLU43B, GLU97A, GLU97B, GLY120B, GLY124A, GLY124B, GLY24A, GLY52B, HIS110B, HIS123A, HIS123B, HIS125A, HIS125B, HIS87A, HIS87B, HIS89A, HIS89B, ILE116B, ILE32A, ILE32B, ILE35A, ILE35B, ILE6A, ILE6B, ILE90A, ILE90B, ILE98A, ILE98B, LEU101A, LEU101B, LEU126A, LEU126B, LEU129A, LEU129B, LEU12A, LEU12B, LEU13A, LEU13B, LEU16A, LEU16B, LEU19A, LEU19B, LEU36A, LEU36B, LEU40A, LEU40B, LEU56A, LEU56B, LEU86A, LEU86B, LEU8A, LEU8B, LEU96A, LEU96B, LYS102A, LYS102B, LYS131A, LYS131B, PHE53A, PHE53B, PRO130A, PRO130B, SER18A, SER18B, SER20A, SER20B, SER29A, SER29B, SER38A, SER38B, SER57A, SER57B, THR15A, THR15B, THR45B, THR5A, THR5B, THR7A, THR7B, THR85A, THR85B, TYR25A, TYR58A, TYR58B, TYR60A, VAL100A, VAL100B, VAL115B, VAL121B, VAL4A, VAL4B, 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, LEU67A, LEU67C, LEU81A, LEU81C, LEU86A, LEU86C, LEU96A, LEU96C, LYS64A, LYS64C, PHE111A, PHE111C, SER69A, SER69C, SER73A, SER73C, SER82A, SER82C, THR74A, THR74C, THR85A, THR85C, TYR58A, TYR58C, TYR60A, TYR60C, VAL100A, VAL100C, VAL115A, 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, ASP80C, HIS79B, HIS79C, HIS87B, HIS87C, ILE98C, LEU86B, LEU86C, LYS102B, LYS102C, PHE53B, PHE53C, SER82B, SER82C, THR85B, THR85C, VAL100B, VAL100C, VAL83B, VAL83C, VAL88B, VAL88C
• B-D: ALA68B, ALA68D, ALA84B, ALA84D, ALA99B, ALA99D, ARG70B, ARG70D, ASN91B, ASN91D, ASP66B, ASP66D, 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, PHE111B, PHE111D, SER69B, SER69D, SER73B, SER73D, SER82B, SER82D, THR74B, THR74D, THR85B, THR85D, TYR58B, TYR58D, TYR60B, TYR60D, VAL100B, VAL100D, VAL72B, VAL72D, VAL83B, VAL83D, VAL88B, VAL88D
• C-D: ALA112D, ALA117D, ALA31C, ALA31D, ALA39C, ALA39D, ALA41C, ALA41D, ALA44C, ALA44D, ALA54C, ALA54D, ALA84C, ALA84D, ALA99C, ALA99D, ARG119D, ARG122C, ARG122D, ARG22C, ARG22D, ARG23C, ARG23D, ARG28C, ARG28D, ARG33C, ARG33D, ARG37C, ARG37D, ARG3C, ARG3D, ARG65D, ASN26C, ASN27C, ASN27D, ASN91C, ASN91D, ASP10C, ASP10D, ASP113D, ASP114D, ASP11C, ASP11D, ASP17C, ASP17D, ASP34C, ASP34D, ASP94C, ASP94D, ASP9C, ASP9D, CYS128C, CYS128D, CYS95C, CYS95D, GLN109D, GLN118D, GLN127C, GLN127D, GLN2C, GLN2D, GLN42C, GLN46D, GLN47C, GLU14C, GLU14D, GLU30C, GLU30D, GLU43C, GLU43D, GLU61D, GLU97C, GLU97D, GLY120D, GLY124C, GLY124D, GLY24C, GLY52C, GLY52D, HIS110D, HIS123C, HIS123D, HIS125C, HIS125D, HIS87C, HIS87D, HIS89C, HIS89D, ILE116D, ILE32C, ILE32D, ILE35C, ILE35D, ILE6C, ILE6D, ILE90C, ILE90D, ILE98C, ILE98D, LEU101C, LEU101D, LEU126C, LEU126D, LEU129C, LEU129D, LEU12C, LEU12D, LEU13C, LEU13D, LEU16C, LEU16D, LEU19C, LEU19D, LEU36C, LEU36D, LEU40C, LEU40D, LEU56C, LEU56D, LEU86C, LEU86D, LEU8C, LEU8D, LEU96C, LEU96D, LYS102C, LYS102D, LYS131C, LYS131D, PHE53C, PHE53D, PRO130C, PRO130D, SER18C, SER18D, SER20C, SER20D, SER29C, SER29D, SER38C, SER38D, SER57C, SER57D, THR15C, THR15D, THR45D, THR5C, THR5D, THR7C, THR7D, THR85C, THR85D, TYR25C, TYR58C, TYR58D, TYR60C, VAL100C, VAL100D, VAL115D, VAL121D, VAL4C, VAL4D, VAL55C, VAL55D, VAL59C, VAL59D, VAL83C, VAL83D, VAL88C, VAL88D
• E-F: ALA112F, ALA117F, ALA31E, ALA31F, ALA39E, ALA39F, ALA41E, ALA41F, ALA44E, ALA44F, ALA54E, ALA54F, ALA84E, ALA84F, ALA99E, ALA99F, ARG119F, ARG122E, ARG122F, ARG22E, ARG22F, ARG23E, ARG23F, ARG28E, ARG28F, ARG33E, ARG33F, ARG37E, ARG37F, ARG3E, ARG3F, ARG65F, ASN26E, ASN27E, ASN27F, ASN91E, ASN91F, ASP10E, ASP10F, ASP113F, ASP114F, ASP11E, ASP11F, ASP17E, ASP17F, ASP34E, ASP34F, ASP94E, ASP9E, ASP9F, CYS128E, CYS128F, CYS95E, CYS95F, GLN109F, GLN118F, GLN127E, GLN127F, GLN2E, GLN2F, GLN42E, GLN42F, GLN46E, GLN46F, GLN47E, GLU14E, GLU14F, GLU30E, GLU30F, GLU43E, GLU43F, GLU97E, GLU97F, GLY120F, GLY124E, GLY124F, GLY24E, GLY52E, GLY52F, HIS110F, HIS123E, HIS123F, HIS125E, HIS125F, HIS87E, HIS87F, HIS89E, HIS89F, ILE116F, ILE32E, ILE32F, ILE35E, ILE35F, ILE6E, ILE6F, ILE90E, ILE90F, ILE98E, ILE98F, LEU101E, LEU101F, LEU126E, LEU126F, LEU129E, LEU129F, LEU12E, LEU12F, LEU13E, LEU13F, LEU16E, LEU16F, LEU19E, LEU19F, LEU36E, LEU36F, LEU40E, LEU40F, LEU56E, LEU56F, LEU86E, LEU86F, LEU8E, LEU8F, LEU96E, LEU96F, LYS102E, LYS102F, LYS131E, LYS131F, PHE53E, PHE53F, PRO130E, PRO130F, SER18E, SER18F, SER20E, SER20F, SER29E, SER29F, SER38E, SER38F, SER57E, SER57F, THR15E, THR15F, THR45F, THR5E, THR5F, THR7E, THR7F, THR85E, THR85F, TYR25E, TYR58E, TYR58F, TYR60E, VAL100E, VAL100F, VAL115F, VAL121F, VAL4E, VAL4F, VAL55E, VAL55F, VAL59E, VAL59F, VAL83E, VAL83F, VAL88E, VAL88F
• E-G: ALA68E, ALA68G, ALA84E, ALA84G, ALA99E, ALA99G, ARG65E, ARG65G, ARG70E, ARG70G, ASN91E, ASN91G, ASP66E, ASP66G, ASP80E, ASP80G, ASP93E, ASP93G, ASP94E, ASP94G, CYS95E, CYS95G, GLN75E, GLN75G, GLU61E, GLU61G, GLU63E, GLU63G, GLU97E, GLU97G, HIS62E, HIS62G, HIS76E, HIS76G, HIS77E, HIS77G, HIS78E, HIS78G, HIS79E, HIS79G, HIS87E, HIS87G, HIS89E, HIS89G, HIS92E, HIS92G, ILE71E, ILE71G, ILE90E, ILE90G, ILE98E, ILE98G, LEU101E, LEU101G, LEU67E, LEU67G, LEU81E, LEU81G, LEU86E, LEU86G, LEU96E, LEU96G, LYS64E, LYS64G, PHE111E, PHE111G, SER69E, SER69G, SER73E, SER73G, SER82E, SER82G, THR74E, THR74G, THR85E, THR85G, TYR58E, TYR58G, TYR60E, TYR60G, VAL100E, VAL100G, VAL115E, VAL72E, VAL72G, VAL83E, VAL83G, VAL88E, VAL88G
• E-H: ALA84E, ALA84H, ASP80H, HIS79E, HIS79H, HIS87E, HIS87H, ILE98E, LEU86E, LEU86H, LYS102E, LYS102H, PHE53E, PHE53H, SER82E, SER82H, THR85E, THR85H, VAL100E, VAL100H, VAL83E, VAL83H, VAL88E, VAL88H
• F-G: ALA84F, ALA84G, HIS79F, HIS79G, HIS87F, HIS87G, ILE98G, LEU86F, LEU86G, LYS102G, PHE53F, PHE53G, SER82F, SER82G, THR85F, THR85G, VAL100F, VAL100G, VAL83F, VAL83G, VAL88F, VAL88G
• F-H: ALA68F, ALA68H, ALA84F, ALA84H, ALA99F, ALA99H, ARG65F, ARG70F, ARG70H, ASN91F, ASN91H, ASP66F, ASP66H, ASP80F, ASP80H, ASP93F, ASP93H, ASP94F, ASP94H, CYS95F, CYS95H, GLN75F, GLN75H, GLU61F, GLU61H, GLU63F, GLU63H, GLU97F, GLU97H, HIS62F, HIS62H, HIS76F, HIS76H, HIS77F, HIS77H, HIS78F, HIS78H, HIS79F, HIS79H, HIS87F, HIS87H, HIS89F, HIS89H, HIS92F, HIS92H, ILE71F, ILE71H, ILE90F, ILE90H, ILE98F, ILE98H, LEU101F, LEU101H, LEU67F, LEU67H, LEU81F, LEU81H, LEU86F, LEU86H, LEU96F, LEU96H, PHE111F, PHE111H, SER69F, SER69H, SER73F, SER73H, SER82F, SER82H, THR74F, THR74H, THR85F, THR85H, TYR58F, TYR58H, TYR60F, TYR60H, VAL100F, VAL100H, VAL72F, VAL72H, VAL83F, VAL83H, VAL88F, VAL88H
• G-H: ALA112H, ALA117H, ALA31G, ALA31H, ALA39G, ALA39H, ALA41G, ALA41H, ALA44G, ALA44H, ALA54G, ALA54H, ALA84G, ALA84H, ALA99G, ALA99H, ARG119H, ARG122G, ARG122H, ARG22G, ARG22H, ARG23G, ARG23H, ARG28G, ARG28H, ARG33G, ARG33H, ARG37G, ARG37H, ARG3G, ARG3H, ARG65H, ASN26G, ASN27G, ASN27H, ASN91G, ASN91H, ASP10G, ASP10H, ASP113H, ASP114H, ASP11G, ASP11H, ASP17G, ASP17H, ASP34G, ASP34H, ASP94G, ASP94H, ASP9G, ASP9H, CYS128G, CYS128H, CYS95G, CYS95H, GLN109H, GLN118H, GLN127G, GLN127H, GLN21G, GLN2G, GLN2H, GLN42G, GLN42H, GLN46H, GLN47G, GLU14G, GLU14H, GLU30G, GLU30H, GLU43G, GLU43H, GLU97G, GLU97H, GLY120H, GLY124G, GLY124H, GLY24G, GLY52G, GLY52H, HIS110H, HIS123G, HIS123H, HIS125G, HIS125H, HIS87G, HIS87H, HIS89G, HIS89H, ILE116H, ILE32G, ILE32H, ILE35G, ILE35H, ILE6G, ILE6H, ILE90G, ILE90H, ILE98G, ILE98H, LEU101G, LEU101H, LEU126G, LEU126H, LEU129G, LEU129H, LEU12G, LEU12H, LEU13G, LEU13H, LEU16G, LEU16H, LEU19G, LEU19H, LEU36G, LEU36H, LEU40G, LEU40H, LEU56G, LEU56H, LEU86G, LEU86H, LEU8G, LEU8H, LEU96G, LEU96H, LYS102G, LYS102H, LYS131G, LYS131H, PHE53G, PHE53H, PRO130G, PRO130H, SER18G, SER18H, SER20G, SER20H, SER29G, SER29H, SER38G, SER38H, SER57G, SER57H, THR15G, THR15H, THR45H, THR5G, THR5H, THR7G, THR7H, THR85G, THR85H, TYR25G, TYR58G, TYR58H, TYR60G, TYR60H, VAL100G, VAL100H, VAL108H, VAL115H, VAL121H, VAL4G, VAL4H, VAL55G, VAL55H, VAL59G, VAL59H, VAL83G, VAL83H, VAL88G, VAL88H