2CVL

crystal structure of ttha0137 from thermus thermophilus hb8

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 92
  • Norm. En. per Res.: -3.5945
• Hub Node: A(4)

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	-9.1766	1.3447	-199.489	-207.3209	84	5	18	8384	0	6	4
A-C	-62.9458	-3.5843	-264.162	-330.692	92	9	20	9987	0	10	5
A-D	0.0	0.0	-0.0826	-0.0826	2	0	0	23	0	1	1
A-E	0.0	47.1614	-13.7252	33.4362	30	1	0	835	0	16	20
B-C	-57.745	-3.4245	-254.925	-316.0945	92	8	19	9865	0	9	5
B-E	0.0	-15.2585	-6.709	-21.9675	7	0	0	251	0	4	0
B-F	0.0	4.8865	-9.6121	-4.7256	18	0	0	430	0	5	14
C-E	0.0	-2.5356	-0.1869	-2.7225	2	0	0	48	0	1	0
D-E	-24.0471	-0.4431	-233.457	-257.9472	90	8	20	9413	0	8	5
D-F	-63.881	-6.5948	-265.519	-335.9948	95	13	19	10321	0	10	5
E-F	-60.8005	-3.6965	-260.086	-324.583	94	12	19	10133	0	11	6

Interface residues

• A-B: ALA100B, ALA102B, ALA105A, ALA105B, ALA108A, ALA118A, ALA121A, ALA121B, ALA123B, ALA12A, ALA17A, ALA19A, ALA22A, ALA3A, ALA78B, ALA91B, ARG101B, ARG69B, ARG92B, ASN87B, CYS119A, CYS75A, CYS75B, GLN18A, GLN31A, GLN72A, GLN72B, GLU116A, GLU2A, GLU88B, GLY14A, GLY23A, GLY23B, GLY24A, GLY24B, GLY30A, ILE13A, ILE32A, LEU109A, LEU122B, LEU77A, LYS107A, LYS107B, LYS21A, PHE25A, PHE25B, PHE27A, PHE27B, PHE76A, PHE76B, PHE83B, PHE86B, PHE94B, PRO110A, PRO15A, PRO84B, PRO96B, PRO97B, PRO99B, SER29A, THR103B, THR73B, THR74A, THR74B, THR95B, TYR16A, TYR90B, TYR93B, TYR98B, VAL104A, VAL104B, VAL106A, VAL106B, VAL117A, VAL120A, VAL120B, VAL20A, VAL26A, VAL28A, VAL4A, VAL59A, VAL70B, VAL71B, VAL89B
• A-C: ALA100A, ALA102A, ALA105A, ALA105C, ALA108A, ALA108C, ALA118C, ALA121A, ALA121C, ALA123A, ALA12C, ALA17C, ALA19C, ALA22C, ALA3C, ALA78A, ALA78C, ALA91A, ARG101A, ARG111C, ARG69A, ARG92A, ASN87A, ASP79A, ASP82A, CYS119C, CYS75A, CYS75C, GLN18C, GLN31C, GLN72A, GLN72C, GLU116C, GLU2C, GLU81A, GLU88A, GLY14C, GLY23A, GLY23C, GLY24A, GLY24C, GLY30C, ILE13C, ILE32C, LEU109A, LEU109C, LEU122A, LEU77A, LEU77C, LYS107A, LYS107C, LYS21C, PHE25A, PHE25C, PHE27A, PHE27C, PHE76A, PHE76C, PHE83A, PHE86A, PHE94A, PRO110C, PRO15C, PRO96A, PRO97A, PRO99A, SER29C, THR103A, THR73A, THR73C, THR74A, THR74C, THR95A, TYR16C, TYR90A, TYR93A, TYR98A, VAL104A, VAL104C, VAL106A, VAL106C, VAL117C, VAL120A, VAL120C, VAL20C, VAL26C, VAL28C, VAL4C, VAL59C, VAL70A, VAL71A, VAL89A
• A-D: ARG111A, LYS107D
• A-E: ALA108A, ALA78A, ALA78E, ARG111A, ARG111E, ARG114A, ARG114E, ASP44E, ASP79A, ASP79E, ASP82E, GLN48A, GLN48E, GLU42A, GLU42E, GLU81E, GLY112A, GLY112E, GLY38E, GLY43A, GLY43E, LEU109A, LEU40A, LEU40E, LYS107A, LYS107E, PRO110A, SER39E, VAL106A, VAL113A
• B-C: ALA100C, ALA102C, ALA105B, ALA105C, ALA108B, ALA108C, ALA118B, ALA121B, ALA121C, ALA123C, ALA12B, ALA17B, ALA19B, ALA22B, ALA3B, ALA78B, ALA78C, ALA91C, ARG101C, ARG111B, ARG69C, ARG92C, ASN87C, ASP79C, CYS119B, CYS75B, CYS75C, GLN18B, GLN31B, GLN72B, GLN72C, GLU116B, GLU2B, GLU81C, GLU88C, GLY112B, GLY14B, GLY23B, GLY23C, GLY24B, GLY24C, GLY30B, ILE13B, ILE32B, LEU109B, LEU122C, LEU77B, LEU77C, LYS107B, LYS107C, LYS21B, PHE25B, PHE25C, PHE27B, PHE27C, PHE76B, PHE76C, PHE83C, PHE86C, PHE94C, PRO110B, PRO15B, PRO84C, PRO96C, PRO97C, PRO99C, SER29B, THR103C, THR73B, THR73C, THR74B, THR74C, THR95C, TYR16B, TYR90C, TYR93C, TYR98C, VAL104B, VAL104C, VAL106B, VAL106C, VAL117B, VAL120B, VAL120C, VAL20B, VAL26B, VAL28B, VAL4B, VAL59B, VAL70C, VAL71C, VAL89C
• B-E: ARG111E, ASP79B, GLU81B, GLY112E, ILE13E, LEU109E, PRO110E
• B-F: ARG46B, ARG46F, ASN87B, ASN87F, ASP44B, ASP79F, ASP82B, ASP82F, GLU81B, GLU81F, GLU88B, GLY85B, GLY85F, ILE45B, PHE83B, PHE83F, PRO84B, PRO84F
• C-E: GLU42E, LYS107C
• D-E: ALA100E, ALA102E, ALA105D, ALA105E, ALA108D, ALA108E, ALA118D, ALA121D, ALA121E, ALA123E, ALA12D, ALA17D, ALA19D, ALA22D, ALA3D, ALA78D, ALA78E, ALA91E, ARG101E, ARG111D, ARG69E, ARG92E, ASN87E, ASP79E, CYS119D, CYS75D, CYS75E, GLN18D, GLN31D, GLN72D, GLN72E, GLU116D, GLU2D, GLU81E, GLU88E, GLY14D, GLY23D, GLY23E, GLY24D, GLY24E, GLY30D, ILE13D, ILE32D, LEU109D, LEU122E, LEU77D, LEU77E, LYS107D, LYS107E, LYS21D, PHE25D, PHE25E, PHE27D, PHE27E, PHE76D, PHE76E, PHE83E, PHE86E, PHE94E, PRO110D, PRO15D, PRO96E, PRO97E, PRO99E, SER29D, THR103E, THR73D, THR73E, THR74D, THR74E, THR95E, TYR16D, TYR90E, TYR93E, TYR98E, VAL104D, VAL104E, VAL106D, VAL106E, VAL117D, VAL120D, VAL120E, VAL20D, VAL26D, VAL28D, VAL4D, VAL59D, VAL70E, VAL71E, VAL89E
• D-F: ALA100D, ALA102D, ALA105D, ALA105F, ALA108D, ALA108F, ALA118F, ALA121D, ALA121F, ALA123D, ALA12F, ALA17F, ALA19F, ALA22F, ALA3F, ALA78D, ALA78F, ALA91D, ARG101D, ARG111F, ARG69D, ARG92D, ASN87D, ASP79D, ASP82D, CYS119F, CYS75D, CYS75F, GLN18F, GLN31F, GLN72D, GLN72F, GLU116F, GLU2F, GLU81D, GLU88D, GLY112F, GLY14F, GLY23D, GLY23F, GLY24D, GLY24F, GLY30F, ILE13F, ILE32F, LEU109F, LEU122D, LEU77D, LEU77F, LYS107D, LYS107F, LYS21F, LYS5F, PHE25D, PHE25F, PHE27D, PHE27F, PHE76D, PHE76F, PHE83D, PHE86D, PHE94D, PRO110F, PRO15F, PRO84D, PRO96D, PRO97D, PRO99D, SER29F, THR103D, THR73D, THR73F, THR74D, THR74F, THR95D, TYR16F, TYR90D, TYR93D, TYR98D, VAL104D, VAL104F, VAL106D, VAL106F, VAL113F, VAL117F, VAL120D, VAL120F, VAL20F, VAL26F, VAL28F, VAL4F, VAL59F, VAL70D, VAL71D, VAL89D
• E-F: ALA100F, ALA102F, ALA105E, ALA105F, ALA108E, ALA108F, ALA118E, ALA121E, ALA121F, ALA123F, ALA12E, ALA17E, ALA19E, ALA22E, ALA3E, ALA78E, ALA78F, ALA91F, ARG101F, ARG111E, ARG69F, ARG92F, ASN87F, ASP79F, CYS119E, CYS75E, CYS75F, GLN18E, GLN31E, GLN72E, GLN72F, GLU116E, GLU2E, GLU81F, GLU88F, GLY112E, GLY14E, GLY23E, GLY23F, GLY24E, GLY24F, GLY30E, ILE13E, ILE32E, LEU109E, LEU109F, LEU122F, LEU77E, LEU77F, LYS107E, LYS107F, LYS21E, LYS5E, PHE25E, PHE25F, PHE27E, PHE27F, PHE76E, PHE76F, PHE83F, PHE86F, PHE94F, PRO110E, PRO15E, PRO84F, PRO96F, PRO97F, PRO99F, SER29E, THR103F, THR73F, THR74E, THR74F, THR95F, TYR16E, TYR90F, TYR93F, TYR98F, VAL104E, VAL104F, VAL106E, VAL106F, VAL113E, VAL117E, VAL120E, VAL120F, VAL20E, VAL26E, VAL28E, VAL4E, VAL59E, VAL70F, VAL71F, VAL89F