5TSW

high resolution crystal structure of a human tnf-alpha mutant

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 107
  • Norm. En. per Res.: -2.9021
• Hub Node: B(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	-32.2672	-2.3354	-263.232	-297.8346	113	8	10	12355	0	17	17
A-C	-32.3222	-2.6094	-259.816	-294.7477	113	16	10	11870	0	17	16
B-C	-38.8842	-3.4522	-268.192	-310.5283	107	17	11	12220	0	17	17
B-D	-41.4397	-7.3607	-124.498	-173.2984	87	15	0	5784	2	25	20
B-E	0.0	0.0	-1.0144	-1.0144	10	0	0	148	0	3	3
C-D	-5.9364	-11.4787	-9.6196	-27.0347	21	10	0	1010	1	7	5
C-E	0.0	0.0	-0.1416	-0.1416	7	0	0	53	0	4	6
D-E	-43.7562	-2.3681	-253.297	-299.4213	106	10	10	11776	0	17	15
D-F	-19.2628	-3.2129	-272.66	-295.1357	109	13	11	12186	0	17	19
E-F	-32.1849	-0.4629	-243.514	-276.1618	112	13	10	11799	0	15	16

Interface residues

• A-B: ALA109B, ALA145B, ALA14B, ALA156A, ALA156B, ALA33B, ALA35B, ALA38B, ALA84A, ALA96A, ARG103A, ARG103B, ARG32B, ARG82A, ASN34B, ASN39B, ASN92A, ASP10B, ASP130A, ASP143B, CYS101A, CYS101B, CYS69B, GLN102A, GLN102B, GLN125A, GLN149B, GLN61B, GLU104A, GLU110B, GLU116A, GLU116B, GLU146B, GLU53A, GLY108B, GLY121A, GLY121B, GLY122A, GLY148B, GLY153B, GLY54A, GLY66B, GLY68B, HIS15B, HIS73A, HIS78A, ILE118A, ILE118B, ILE154B, ILE155A, ILE155B, ILE58A, ILE80A, ILE97A, LEU120A, LEU120B, LEU126A, LEU157A, LEU157B, LEU36B, LEU37B, LEU55A, LEU57A, LEU57B, LEU63B, LEU75A, LEU76A, LEU93A, LEU94A, LYS112B, LYS11A, LYS11B, LYS65B, LYS90A, LYS98A, LYS98B, PHE124A, PHE152B, PHE56A, PHE64B, PRO100A, PRO100B, PRO106A, PRO113B, PRO117A, PRO117B, PRO12B, SER147B, SER60A, SER60B, SER81A, SER95A, SER99A, SER99B, SER9B, THR105A, THR105B, THR77A, THR79A, TRP114B, TYR115B, TYR119A, TYR119B, TYR151B, TYR59A, TYR59B, VAL123A, VAL13B, VAL150B, VAL17B, VAL62B, VAL74A, VAL91A
• A-C: ALA109A, ALA111A, ALA14A, ALA156A, ALA156C, ALA33A, ALA35A, ALA38A, ALA84C, ALA96C, ARG103A, ARG103C, ARG32A, ARG82C, ASN34A, ASN39A, ASN92C, ASP10A, ASP143A, CYS101A, CYS101C, CYS69A, GLN102A, GLN102C, GLN125C, GLN149A, GLN61A, GLN67A, GLU104A, GLU110A, GLU116A, GLU116C, GLU146A, GLU53C, GLY108A, GLY121A, GLY121C, GLY122C, GLY148A, GLY153A, GLY54C, GLY66A, GLY68A, HIS15A, HIS73C, HIS78C, ILE118A, ILE118C, ILE154A, ILE155A, ILE155C, ILE58A, ILE58C, ILE80C, ILE97C, LEU120A, LEU120C, LEU126C, LEU157A, LEU157C, LEU36A, LEU37A, LEU55C, LEU57A, LEU57C, LEU63A, LEU75C, LEU76C, LEU93C, LEU94C, LYS112A, LYS11A, LYS11C, LYS65A, LYS98A, LYS98C, PHE124C, PHE152A, PHE56C, PHE64A, PRO100A, PRO100C, PRO106A, PRO106C, PRO113A, PRO117A, PRO117C, PRO12A, SER147A, SER60A, SER60C, SER81C, SER95C, SER99C, SER9A, THR105C, THR77C, THR79C, THR89C, TRP114A, TYR115A, TYR119A, TYR119C, TYR151A, TYR59A, TYR59C, VAL123C, VAL13A, VAL150A, VAL17A, VAL62A, VAL74C, VAL91C
• B-C: ALA109C, ALA111C, ALA14C, ALA156B, ALA156C, ALA33C, ALA35C, ALA38C, ALA96B, ARG103B, ARG103C, ARG32C, ARG82B, ASN34C, ASN39C, ASN92B, ASP10C, ASP143C, CYS101B, CYS101C, CYS69C, GLN102B, GLN102C, GLN125B, GLN149C, GLN61C, GLN67C, GLU104B, GLU110C, GLU116B, GLU116C, GLU146C, GLU53B, GLY121B, GLY121C, GLY122B, GLY148C, GLY153C, GLY54B, GLY66C, GLY68C, HIS15C, HIS73B, HIS78B, ILE118B, ILE118C, ILE154C, ILE155B, ILE155C, ILE58B, ILE80B, ILE97B, LEU120B, LEU120C, LEU126B, LEU157B, LEU157C, LEU36C, LEU37C, LEU55B, LEU57B, LEU57C, LEU63C, LEU75B, LEU76B, LEU93B, LEU94B, LYS112C, LYS11B, LYS11C, LYS65C, LYS90B, LYS98B, LYS98C, PHE124B, PHE152C, PHE56B, PHE64C, PRO100B, PRO100C, PRO113C, PRO117B, PRO117C, PRO12C, SER147C, SER60B, SER60C, SER81B, SER95B, SER99B, SER9C, THR77B, THR79B, TRP114C, TYR115C, TYR119B, TYR119C, TYR151C, TYR59B, TYR59C, VAL123B, VAL13C, VAL150C, VAL17C, VAL62C, VAL74B, VAL91B
• B-D: ALA109D, ALA111D, ALA134B, ALA22B, ALA22D, ALA84B, ALA96B, ARG131B, ARG138B, ARG138D, ARG44B, ARG82B, ASN137B, ASN137D, ASN46B, ASN46D, ASN92B, ASP140B, ASP140D, ASP45B, ASP45D, CYS69D, GLN21B, GLN21D, GLN25B, GLN25D, GLN27B, GLN27D, GLN47B, GLN47D, GLN67D, GLN88B, GLU104D, GLU110D, GLU135B, GLU135D, GLU23B, GLU23D, GLY24B, GLY24D, GLY66D, GLY68D, HIS73D, HIS78B, ILE136B, ILE136D, ILE80B, ILE83B, ILE97B, ILE97D, LEU26B, LEU26D, LEU43B, LEU75B, LEU75D, LEU76D, LEU93B, LEU94B, LYS112D, LYS65D, LYS90B, LYS90D, PHE144D, PRO113D, PRO139B, PRO139D, PRO70D, SER133B, SER71D, SER81B, SER86B, SER95B, THR72B, THR72D, THR77B, THR77D, THR79B, THR79D, THR89B, TRP114D, TRP28B, TYR141B, TYR141D, TYR87B, VAL74B, VAL74D, VAL91B
• B-E: ALA145E, GLU146E, HIS73B, LEU75B, LYS65E, PRO113E, PRO70B, SER71B, THR72B, TYR115E
• C-D: ALA145C, ALA33C, ARG103D, ARG32C, CYS101D, CYS69D, GLN149C, GLN21C, GLU104D, GLU107D, GLU146C, GLY148C, HIS73D, LEU63C, PRO106D, PRO20C, PRO70D, SER147C, SER71D, THR105D, THR72D
• C-E: ALA109E, ALA145C, GLN67C, GLU110E, GLY108E, LYS65C, TYR115C
• D-E: ALA109E, ALA111E, ALA145E, ALA14E, ALA156D, ALA156E, ALA33E, ALA35E, ALA38E, ALA84D, ALA96D, ARG103D, ARG103E, ARG82D, ASN34E, ASN39E, ASN92D, ASP10E, ASP143E, CYS101D, CYS101E, CYS69E, GLN102D, GLN102E, GLN125D, GLN149E, GLN61E, GLN67E, GLU110E, GLU116D, GLU116E, GLU146E, GLY121D, GLY121E, GLY122D, GLY148E, GLY153E, GLY54D, GLY66E, GLY68E, HIS15E, HIS73D, HIS78D, ILE118D, ILE118E, ILE154E, ILE155D, ILE155E, ILE58D, ILE58E, ILE80D, ILE97D, LEU120D, LEU120E, LEU126D, LEU157D, LEU157E, LEU36E, LEU37E, LEU55D, LEU57D, LEU57E, LEU63E, LEU75D, LEU76D, LEU93D, LEU94D, LYS112E, LYS11D, LYS11E, LYS65E, LYS98D, LYS98E, PHE124D, PHE152E, PHE56D, PHE64E, PRO100D, PRO100E, PRO113E, PRO117D, PRO117E, PRO12E, SER147E, SER60D, SER60E, SER81D, SER95D, SER99D, SER9E, THR77D, THR79D, TRP114E, TYR115E, TYR119D, TYR119E, TYR151E, TYR59D, TYR59E, VAL123D, VAL13E, VAL150E, VAL17E, VAL62E, VAL74D, VAL91D
• D-F: ALA111D, ALA14D, ALA156D, ALA156F, ALA33D, ALA35D, ALA38D, ALA84F, ALA96F, ARG103D, ARG103F, ARG32D, ARG82F, ASN34D, ASN39D, ASN92F, ASP10D, ASP143D, CYS101D, CYS101F, CYS69D, GLN102D, GLN102F, GLN125F, GLN149D, GLN61D, GLN67D, GLU104F, GLU116D, GLU116F, GLU146D, GLU53F, GLY108D, GLY121D, GLY121F, GLY122F, GLY148D, GLY153D, GLY54F, GLY66D, GLY68D, HIS15D, HIS73F, HIS78F, ILE118D, ILE118F, ILE154D, ILE155D, ILE155F, ILE58F, ILE80F, ILE97F, LEU120D, LEU120F, LEU126F, LEU157D, LEU157F, LEU36D, LEU37D, LEU55F, LEU57D, LEU57F, LEU63D, LEU75F, LEU76F, LEU93F, LEU94F, LYS112D, LYS11D, LYS11F, LYS65D, LYS90F, LYS98D, LYS98F, PHE124F, PHE152D, PHE56F, PHE64D, PRO100D, PRO100F, PRO113D, PRO117D, PRO117F, PRO12D, SER147D, SER60D, SER60F, SER81F, SER95F, SER99F, SER9D, THR105D, THR105F, THR77F, THR79F, TRP114D, TYR115D, TYR119D, TYR119F, TYR151D, TYR59D, TYR59F, VAL123F, VAL13D, VAL150D, VAL17D, VAL62D, VAL74F, VAL91F
• E-F: ALA109F, ALA111F, ALA145F, ALA14F, ALA156E, ALA156F, ALA33F, ALA35F, ALA38F, ALA84E, ALA96E, ARG103E, ARG103F, ARG32F, ARG82E, ASN34F, ASN39F, ASN92E, ASP10F, ASP143F, CYS101E, CYS101F, CYS69F, GLN102E, GLN102F, GLN125E, GLN149F, GLN61F, GLU104E, GLU110F, GLU116E, GLU116F, GLU146F, GLU53E, GLY108F, GLY121E, GLY121F, GLY122E, GLY148F, GLY153F, GLY54E, GLY66F, GLY68F, HIS15F, HIS73E, HIS78E, ILE118E, ILE118F, ILE154F, ILE155E, ILE155F, ILE58E, ILE80E, ILE97E, LEU120E, LEU120F, LEU126E, LEU157E, LEU157F, LEU36F, LEU37F, LEU55E, LEU57E, LEU57F, LEU63F, LEU75E, LEU76E, LEU93E, LEU94E, LYS112F, LYS11E, LYS11F, LYS65F, LYS98E, LYS98F, PHE124E, PHE152F, PHE56E, PHE64F, PRO100E, PRO100F, PRO113F, PRO117E, PRO117F, PRO12F, SER147F, SER60E, SER60F, SER81E, SER95E, SER99E, SER9F, THR105E, THR105F, THR72E, THR77E, THR79E, TRP114F, TYR115F, TYR119E, TYR119F, TYR151F, TYR59E, TYR59F, VAL123E, VAL123F, VAL13F, VAL150F, VAL17F, VAL62F, VAL74E, VAL91E