1TNF

the structure of tumor necrosis factor-alpha at 2.6 angstroms resolution. implications for receptor binding

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 115
  • Norm. En. per Res.: -3.1912
• Hub Node: A(2)

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	-34.3945	-19.0786	-289.16	-342.6331	122	24	10	13120	2	16	13
A-C	-23.3413	0.8372	-267.415	-289.9191	117	18	9	11985	0	18	15
B-C	-67.9073	-6.0246	-293.059	-366.9908	115	19	10	13057	0	14	13

Interface residues

• A-B: ALA109B, ALA111B, ALA145B, ALA14B, ALA156A, ALA156B, ALA33B, ALA35B, ALA38B, ALA84A, ALA96A, ARG103A, ARG103B, ARG32B, ARG82A, ASN34B, ASN39B, ASN92A, ASP10B, CYS101A, CYS101B, CYS69B, GLN102A, GLN102B, GLN125A, GLN149B, GLN61B, GLN67B, GLU104A, GLU104B, GLU107B, 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, LEU132A, LEU143B, LEU157A, LEU157B, LEU36B, LEU37B, LEU55A, LEU57A, LEU57B, LEU63B, LEU75A, LEU76A, LEU93A, LEU94A, LYS112B, LYS11A, LYS11B, LYS65B, LYS98A, LYS98B, PHE124A, PHE152B, PHE64B, PRO100A, PRO100B, PRO106B, PRO113B, PRO117A, PRO117B, PRO12B, PRO70B, PRO8B, SER147B, SER52A, SER60A, SER60B, SER71A, SER81A, SER95A, SER99A, SER9B, THR105A, THR105B, THR72A, THR77A, THR79A, THR7B, TRP114B, TYR115B, TYR119A, TYR119B, TYR151B, TYR56A, TYR59A, TYR59B, TYR87A, VAL123A, VAL13B, VAL150B, VAL17B, VAL62B, VAL74A, VAL91A
• A-C: ALA109A, ALA111A, ALA145A, ALA14A, ALA156A, ALA156C, ALA33A, ALA35A, ALA38A, ALA96C, ARG103A, ARG103C, ARG6A, ARG82C, ASN34A, ASN39A, ASN92C, CYS101A, CYS101C, CYS69A, CYS69C, GLN102A, GLN102C, GLN125C, GLN149A, GLN61A, GLN67A, GLU104A, GLU104C, GLU110A, GLU116A, GLU116C, GLU127C, GLU146A, GLU53C, GLY108A, GLY121A, GLY121C, GLY122C, GLY148A, GLY153A, GLY54C, GLY66A, GLY68A, HIS15A, HIS73C, HIS78C, ILE118A, ILE118C, ILE154A, ILE155A, ILE155C, ILE58C, ILE80C, ILE97C, LEU120A, LEU120C, LEU126C, LEU143A, LEU157A, LEU157C, LEU36A, LEU55C, LEU57A, LEU57C, LEU63A, LEU75C, LEU76C, LEU93C, LEU94C, LYS112A, LYS11A, LYS11C, LYS65A, LYS98A, LYS98C, PHE124C, PHE64A, PRO100A, PRO100C, PRO106A, PRO113A, PRO117A, PRO117C, PRO12A, PRO70C, PRO8A, SER147A, SER52C, SER60A, SER60C, SER71C, SER95C, SER99C, SER9A, THR105A, THR105C, THR72C, THR77C, THR79C, THR7A, TRP114A, TYR115A, TYR119A, TYR119C, TYR151A, TYR56A, TYR56C, TYR59A, TYR59C, TYR87C, VAL123C, VAL13A, VAL17A, VAL62A, VAL74C, VAL91C
• B-C: ALA109C, ALA145C, ALA14C, ALA156B, ALA156C, ALA33C, ALA35C, ALA38C, ALA96B, ARG103B, ARG32C, ARG6C, ARG82B, ASN34C, ASN39C, ASN92B, ASP10C, CYS101B, CYS101C, CYS69C, GLN102B, GLN102C, GLN125B, GLN149C, GLN61C, GLN67C, GLU104B, GLU104C, GLU116B, GLU116C, GLU127B, GLU146C, GLU53B, GLY108C, GLY121B, GLY121C, GLY122B, GLY148C, GLY153C, GLY54B, GLY66C, GLY68C, HIS15C, HIS73B, HIS78B, ILE118B, ILE118C, ILE154C, ILE155B, ILE155C, ILE58B, ILE80B, ILE97B, LEU120B, LEU120C, LEU126B, LEU143C, LEU157B, LEU157C, LEU36C, LEU55B, LEU57B, LEU57C, LEU63C, LEU75B, LEU76B, LEU93B, LEU94B, LYS112C, LYS11B, LYS11C, LYS65C, LYS98B, LYS98C, PHE124B, PHE152C, PHE64C, PRO100B, PRO100C, PRO106C, PRO113C, PRO117B, PRO117C, PRO12C, PRO8C, SER147C, SER52B, SER60B, SER60C, SER71B, SER81B, SER95B, SER99B, SER99C, SER9C, THR105B, THR72B, THR77B, THR79B, THR7C, TRP114C, TYR115C, TYR119B, TYR119C, TYR151C, TYR56B, TYR59B, TYR59C, VAL123B, VAL13C, VAL150C, VAL16C, VAL17C, VAL62C, VAL91B