3DFE

crystal structure of a putative pii-like signaling protein (yp_323533.1) from anabaena variabilis atcc 29413 at 2.35 a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 10
  • Norm. En. per Res.: -5.4066
• Hub Node: A(5)

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	-85.9096	-16.7812	-181.057	-283.7477	68	17	13	7722	6	15	13
A-C	-84.6751	-15.141	-188.584	-288.4002	68	13	15	7584	5	15	15
A-D	0.0	-13.2208	-28.4022	-41.623	22	0	0	1247	0	24	23
A-E	0.0	0.0	-0.156	-0.156	8	0	0	30	0	9	13
A-F	0.0	0.0	-0.1754	-0.1754	8	0	0	65	0	10	9
B-C	-95.9423	-15.8316	-180.486	-292.2599	66	13	15	7422	5	16	15
B-D	-20.6547	-17.1533	-16.2582	-54.0662	10	2	0	748	2	4	7
B-F	0.0	18.3047	-4.2519	14.0528	10	3	0	393	0	10	11
C-F	0.0	0.0	-0.078	-0.078	3	0	0	17	0	6	9
D-E	-94.87	-49.8028	-196.658	-341.3308	68	15	16	7747	4	14	15
D-F	-71.4438	-14.3911	-186.549	-272.384	67	8	14	7570	6	14	14
E-F	-88.217	-19.5471	-188.233	-295.9971	67	14	15	7632	5	14	13

Interface residues

• A-B: ALA21B, ALA5B, ALA72A, ALA76A, ALA80A, ALA88A, ALA96B, ARG4B, ARG69A, ASN59A, ASN6A, ASP36A, ASP36B, ASP77A, CYS94A, CYS94B, GLN78A, GLU25B, GLU63A, GLU63B, GLU73A, GLU95A, GLU95B, GLU97B, GLY101B, GLY31B, GLY38A, GLY39A, GLY89A, ILE10A, ILE75A, ILE81A, ILE90A, ILE91A, ILE93A, LEU17B, LEU65B, LEU8A, LEU99B, LYS3B, LYS61A, LYS61B, LYS74A, LYS7A, LYS7B, PHE62B, PHE84A, SER2B, SER58A, THR12A, THR30B, THR33B, THR37A, THR37B, TYR100B, TYR32B, TYR92A, VAL11A, VAL34B, VAL35A, VAL35B, VAL60A, VAL60B, VAL64B, VAL79A, VAL98B, VAL9A, VAL9B
• A-C: ALA21A, ALA5A, ALA72C, ALA76C, ALA80C, ALA88C, ALA96A, ARG4A, ARG69C, ASN59C, ASN6C, ASP36A, ASP36C, ASP77C, CYS94A, CYS94C, GLN78C, GLU25A, GLU63A, GLU63C, GLU73C, GLU95A, GLU95C, GLU97A, GLY101A, GLY31A, GLY38C, GLY39C, GLY89C, ILE10C, ILE24A, ILE75C, ILE81C, ILE90C, ILE91C, ILE93C, LEU17A, LEU65A, LEU8C, LEU99A, LYS3A, LYS61A, LYS61C, LYS74C, LYS7A, LYS7C, PHE62A, PHE84C, SER2A, THR30A, THR33A, THR37A, THR37C, TYR100A, TYR32A, TYR92A, TYR92C, VAL11C, VAL34A, VAL35A, VAL35C, VAL60A, VAL60C, VAL64A, VAL79C, VAL98A, VAL9A, VAL9C
• A-D: ALA5D, ALA72A, ALA96D, ARG4D, ARG69A, ARG69D, ASN68A, ASN68D, ASN6A, ASN6D, ASP77A, GLU70A, GLU70D, GLU73A, GLU73D, GLU95A, GLU95D, GLU97D, ILE93A, ILE93D, LYS3D, SER2D
• A-E: ARG4A, ARG69E, ASN68A, GLU70A, GLU95E, GLU97E, LYS3A, SER2A
• A-F: ARG4A, ARG4F, ARG69F, GLU95A, GLU95F, GLU97A, GLU97F, SER2A
• B-C: ALA21C, ALA5C, ALA72B, ALA76B, ALA80B, ALA88B, ALA96C, ARG4C, ARG69B, ASN59B, ASN6B, ASP36B, ASP36C, ASP77B, CYS94B, CYS94C, GLN78B, GLU25C, GLU63B, GLU63C, GLU73B, GLU95B, GLU95C, GLU97C, GLY101C, GLY31C, GLY38B, GLY39B, GLY89B, ILE10B, ILE75B, ILE81B, ILE90B, ILE91B, ILE93B, LEU17C, LEU65C, LEU8B, LEU99C, LYS3C, LYS61B, LYS61C, LYS74B, LYS7B, LYS7C, PHE62C, PHE84B, THR12B, THR30C, THR33C, THR37B, THR37C, TYR100C, TYR32C, TYR92B, VAL11B, VAL34C, VAL35B, VAL35C, VAL60B, VAL60C, VAL64C, VAL79B, VAL98C, VAL9B, VAL9C
• B-D: ARG4B, ARG4D, GLU97B, GLU97D, LEU99B, LEU99D, LYS3B, LYS3D, SER2B, SER2D
• B-F: ARG4B, ARG69F, ASN6F, GLU73F, GLU95B, GLU95F, GLU97B, ILE93F, LYS3B, SER2B
• C-F: ARG4F, ARG69C, GLU95C
• D-E: ALA21E, ALA5E, ALA72D, ALA76D, ALA80D, ALA88D, ALA96E, ARG4E, ARG69D, ASN59D, ASN6D, ASP36D, ASP36E, ASP77D, CYS94D, CYS94E, GLN78D, GLU25E, GLU63D, GLU63E, GLU73D, GLU95D, GLU95E, GLU97E, GLY101E, GLY31E, GLY38D, GLY39D, GLY89D, ILE10D, ILE24E, ILE75D, ILE81D, ILE90D, ILE91D, ILE93D, LEU17E, LEU65E, LEU8D, LEU99E, LYS3E, LYS61D, LYS61E, LYS74D, LYS7D, LYS7E, PHE62E, PHE84D, SER2E, THR30E, THR33E, THR37D, THR37E, TYR100E, TYR32E, TYR92D, TYR92E, VAL11D, VAL34E, VAL35D, VAL35E, VAL60D, VAL60E, VAL64E, VAL79D, VAL98E, VAL9D, VAL9E
• D-F: ALA21D, ALA5D, ALA72F, ALA76F, ALA80F, ALA88F, ALA96D, ARG4D, ARG69F, ASN59F, ASN6F, ASP36D, ASP36F, ASP77F, CYS94D, CYS94F, GLN78F, GLU25D, GLU63D, GLU63F, GLU73F, GLU95D, GLU95F, GLU97D, GLY101D, GLY31D, GLY38F, GLY39F, GLY89F, ILE10F, ILE75F, ILE81F, ILE90F, ILE91F, ILE93F, LEU17D, LEU65D, LEU8F, LEU99D, LYS3D, LYS61D, LYS61F, LYS74F, LYS7D, LYS7F, PHE62D, PHE84F, SER2D, THR30D, THR33D, THR37D, THR37F, TYR100D, TYR32D, TYR92D, TYR92F, VAL11F, VAL34D, VAL35D, VAL35F, VAL60D, VAL60F, VAL64D, VAL79F, VAL98D, VAL9D, VAL9F
• E-F: ALA21F, ALA5F, ALA72E, ALA76E, ALA80E, ALA88E, ALA96F, ARG4F, ARG69E, ASN59E, ASN6E, ASP36E, ASP36F, ASP77E, CYS94E, CYS94F, GLN78E, GLU63E, GLU63F, GLU73E, GLU95E, GLU95F, GLU97F, GLY101F, GLY31F, GLY38E, GLY39E, GLY89E, ILE10E, ILE75E, ILE81E, ILE90E, ILE91E, ILE93E, LEU17F, LEU65F, LEU8E, LEU99F, LYS3F, LYS61E, LYS61F, LYS74E, LYS7E, LYS7F, PHE62F, PHE84E, THR12E, THR30F, THR33F, THR37E, THR37F, TYR100F, TYR32F, TYR87E, TYR92E, TYR92F, VAL11E, VAL34F, VAL35E, VAL35F, VAL60E, VAL60F, VAL64F, VAL79E, VAL98F, VAL9E, VAL9F