2HUR

escherichia coli nucleoside diphosphate kinase

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -4.0966
• 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	-89.689	-4.9939	-360.035	-454.7179	111	11	6	13519	4	19	21
A-C	0.0	12.939	-122.979	-110.04	59	6	6	4998	0	12	12
A-D	0.0	0.0	-0.1897	-0.1897	2	0	0	28	0	0	0
B-C	0.0	0.0	-0.2028	-0.2028	3	0	0	29	0	0	0
B-D	-5.2991	16.7137	-115.524	-104.1094	60	7	6	4947	0	11	13
C-D	-74.6301	-3.3677	-360.45	-438.4478	114	18	6	13627	1	19	21
C-E	0.0	-3.471	-25.8096	-29.2806	23	0	0	770	0	6	10
C-F	-12.2698	-10.5558	-128.532	-151.3576	52	4	1	4562	1	18	17
D-E	-14.8301	-17.2742	-136.439	-168.5433	52	2	1	4768	2	20	17
D-F	0.0	2.1366	-36.6753	-34.5387	19	5	0	997	0	8	6
E-F	-90.1218	-2.396	-348.297	-440.8149	113	17	6	13611	4	19	20

Interface residues

• A-B: ALA14A, ALA14B, ALA16A, ALA16B, ALA25A, ALA25B, ALA29A, ALA29B, ARG141A, ARG141B, ARG143A, ARG143B, ARG26A, ARG26B, ASN13A, ASN13B, ASN18A, ASN18B, ASN22A, ASN22B, ASP109A, ASP109B, CYS139A, CYS139B, GLU113A, GLU113B, GLU137A, GLU137B, GLU28A, GLU28B, GLU65A, GLU65B, GLY136A, GLY136B, GLY21A, GLY21B, GLY31A, GLY31B, GLY36A, GLY36B, GLY70A, GLY70B, HIS41A, HIS41B, ILE10A, ILE10B, ILE20A, ILE20B, ILE23A, ILE23B, ILE34A, ILE34B, ILE72A, ILE72B, LEU40A, LEU40B, LEU42A, LEU42B, LYS11A, LYS11B, LYS17A, LYS17B, LYS33A, LYS33B, LYS38A, LYS38B, MET39A, MET39B, MET67A, MET67B, PHE133A, PHE133B, PHE24A, PHE24B, PHE27A, PHE27B, PHE32A, PHE32B, PHE66A, PHE66B, PRO12A, PRO12B, PRO140A, PRO140B, PRO71A, PRO71B, SER69A, SER69B, SER75A, SER75B, THR112B, THR142A, THR142B, THR37A, THR37B, THR68A, THR68B, VAL138A, VAL138B, VAL15A, VAL15B, VAL19A, VAL19B, VAL35A, VAL35B, VAL73A, VAL73B, VAL74A, VAL74B, VAL76A, VAL76B
• A-C: ALA100A, ALA100C, ALA105A, ALA105C, ALA25A, ALA25C, ALA29A, ALA29C, ALA30A, ALA30C, ALA82A, ALA82C, ALA96C, ALA98A, ALA98C, ARG26A, ARG26C, ARG85A, ARG85C, ARG87A, ARG87C, ASN22A, ASN22C, ASN81A, ASN81C, ASP106A, ASP106C, ASP88A, ASP88C, GLN84A, GLN84C, GLU28A, GLU28C, GLU80A, GLY101A, GLY101C, GLY31A, GLY31C, GLY91A, GLY91C, HIS86A, HIS86C, LEU103A, LEU103C, LEU89A, LEU89C, LEU90A, LEU90C, LEU99A, LEU99C, PHE27A, PHE27C, PHE32A, PHE32C, PRO95C, THR102A, THR102C, TYR107A, TYR107C
• A-D: ASN22A, ASN22D
• B-C: ASN22B, ASN22C, TYR107C
• B-D: ALA100B, ALA100D, ALA105B, ALA105D, ALA25B, ALA25D, ALA29B, ALA29D, ALA30B, ALA30D, ALA82B, ALA82D, ALA96B, ALA98B, ALA98D, ARG26B, ARG26D, ARG85B, ARG85D, ARG87B, ARG87D, ASN22B, ASN22D, ASN81B, ASN81D, ASP106B, ASP106D, ASP88B, ASP88D, GLN84B, GLN84D, GLU28B, GLU28D, GLU80B, GLU80D, GLY101B, GLY101D, GLY31B, GLY31D, GLY91B, GLY91D, HIS86B, HIS86D, LEU103B, LEU103D, LEU89B, LEU89D, LEU90B, LEU90D, LEU99B, LEU99D, PHE27B, PHE27D, PHE32B, PHE32D, PRO95B, THR102B, THR102D, TYR107B, TYR107D
• C-D: ALA14C, ALA14D, ALA16C, ALA16D, ALA25C, ALA25D, ALA29C, ALA29D, ARG141C, ARG141D, ARG143C, ARG143D, ARG26C, ARG26D, ARG5D, ASN13C, ASN13D, ASN18C, ASN18D, ASN22C, ASN22D, ASP109C, ASP109D, CYS139C, CYS139D, GLN46D, GLU113C, GLU113D, GLU135C, GLU137C, GLU137D, GLU28C, GLU28D, GLU65C, GLU65D, GLY115C, GLY136C, GLY136D, GLY21C, GLY21D, GLY31C, GLY31D, GLY36C, GLY36D, GLY70C, GLY70D, HIS41C, HIS41D, ILE10C, ILE10D, ILE20C, ILE20D, ILE23C, ILE23D, ILE34C, ILE34D, ILE72C, ILE72D, LEU40C, LEU40D, LEU42C, LEU77C, LYS11C, LYS11D, LYS17C, LYS17D, LYS33C, LYS33D, LYS38C, LYS38D, MET39C, MET39D, MET67C, MET67D, PHE133C, PHE133D, PHE24C, PHE24D, PHE27C, PHE27D, PHE32C, PHE32D, PHE66C, PHE66D, PRO12C, PRO12D, PRO140C, PRO140D, PRO71C, PRO71D, SER69C, SER69D, SER75C, SER75D, THR142C, THR142D, THR37C, THR37D, THR68C, THR68D, VAL138C, VAL138D, VAL15C, VAL15D, VAL19C, VAL19D, VAL35C, VAL35D, VAL73C, VAL73D, VAL74C, VAL74D, VAL76C, VAL76D
• C-E: ALA126C, ALA130C, ALA130E, ARG127C, ARG127E, GLU128C, GLU128E, GLU135C, GLU135E, GLY134C, GLY134E, GLY136C, GLY136E, GLY49E, ILE129C, ILE129E, PHE132C, PHE132E, PHE133C, PHE133E, PHE50E, TYR131C, TYR131E
• C-F: ALA130F, ALA47C, ALA47F, ALA52C, ALA52F, ARG127F, ARG48C, ARG48F, ASP55C, ASP55F, ASP61C, GLN46C, GLN46F, GLU128F, GLU135F, GLU137F, GLU45C, GLU45F, GLU53C, GLY134F, GLY49C, GLY49F, GLY56C, HIS41C, HIS41F, HIS54C, ILE129F, ILE72F, LEU40C, LEU40F, LEU42C, LEU42F, LYS38F, MET39C, PHE132F, PHE133F, PHE50C, PHE50F, PHE60C, PHE60F, PRO71C, THR43C, THR43F, THR68C, TYR131C, TYR131F, TYR51C, TYR51F, VAL44C, VAL44F, VAL64C, VAL74F
• D-E: ALA130D, ALA47D, ALA47E, ALA52D, ALA52E, ARG127D, ARG48D, ARG48E, ASP55D, ASP55E, ASP61E, GLN46D, GLN46E, GLU128D, GLU135D, GLU137D, GLU45D, GLU45E, GLU53E, GLY134D, GLY49D, GLY49E, GLY56E, HIS41D, HIS41E, HIS54E, ILE129D, ILE72D, LEU40D, LEU40E, LEU42D, LEU42E, LYS38D, MET39E, PHE132D, PHE133D, PHE50D, PHE50E, PHE60D, PHE60E, PRO71E, THR43D, THR43E, THR68E, TYR131D, TYR131E, TYR51D, TYR51E, VAL44D, VAL44E, VAL64E, VAL74D
• D-F: ARG141F, ARG5F, CYS139D, CYS139F, GLU135D, GLU135F, GLU137D, GLU137F, GLY134D, GLY134F, GLY136D, GLY136F, PRO140D, PRO140F, THR142D, THR142F, VAL138D, VAL138F, VAL35D
• E-F: ALA14E, ALA14F, ALA16E, ALA16F, ALA25E, ALA25F, ALA29E, ALA29F, ARG141E, ARG141F, ARG143E, ARG143F, ARG26E, ARG26F, ASN13E, ASN13F, ASN18E, ASN18F, ASN22E, ASN22F, ASP109E, ASP109F, CYS139E, CYS139F, GLU113E, GLU113F, GLU137E, GLU137F, GLU28E, GLU28F, GLU65E, GLU65F, GLY136E, GLY136F, GLY21E, GLY21F, GLY31E, GLY31F, GLY36E, GLY36F, GLY70E, GLY70F, HIS41E, HIS41F, ILE10E, ILE10F, ILE20E, ILE20F, ILE23E, ILE23F, ILE34E, ILE34F, ILE72E, ILE72F, LEU40E, LEU40F, LEU42E, LEU42F, LYS11E, LYS11F, LYS17E, LYS17F, LYS33E, LYS33F, LYS38E, LYS38F, MET39E, MET39F, MET67E, MET67F, PHE133E, PHE133F, PHE24E, PHE24F, PHE27E, PHE27F, PHE32E, PHE32F, PHE66E, PHE66F, PRO12E, PRO12F, PRO140E, PRO140F, PRO71E, PRO71F, SER110E, SER69E, SER69F, SER75E, SER75F, THR112E, THR112F, THR142E, THR142F, THR37E, THR37F, THR68E, THR68F, VAL138E, VAL138F, VAL15E, VAL15F, VAL19E, VAL19F, VAL35E, VAL35F, VAL73E, VAL73F, VAL74E, VAL74F, VAL76E, VAL76F