3IT8

crystal structure of tnf alpha complexed with a poxvirus mhc-related tnf binding protein

• Total interactions analyzed: 66
• Total true interactions: 18
• Strongest Interaction:
  • Chains: I-L
  • Int. Res.: 75
  • Norm. En. per Res.: -3.2414
• 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	-30.5351	-14.246	-302.502	-347.2831	118	15	10	13337	1	19	18
A-C	-39.4607	-14.7198	-310.338	-364.5184	117	14	11	13620	1	19	18
A-D	-28.3425	-69.4016	-136.203	-233.9471	76	7	1	5893	9	22	17
A-F	0.0	0.0	-67.7126	-67.7126	39	1	2	2801	0	5	6
B-C	-41.029	-16.4792	-311.689	-369.1971	117	17	11	13732	1	19	18
B-D	0.0	0.0	-78.4098	-78.4098	41	2	3	3047	0	6	6
B-E	-29.2766	-56.9057	-131.218	-217.4004	73	8	1	5784	7	23	17
C-E	0.0	0.0	-84.2309	-84.2309	41	5	3	3184	0	6	6
C-F	-36.3425	-59.3203	-146.644	-242.3068	76	12	1	6106	8	22	17
G-H	-43.544	-13.4646	-311.984	-368.9926	117	16	10	13630	1	19	18
G-I	-38.211	-17.324	-308.352	-363.8871	116	21	10	13662	1	19	19
G-J	-23.9712	-39.2843	-129.085	-192.3405	77	13	1	5950	6	23	18
G-K	0.0	0.0	-85.0411	-85.0411	41	4	3	3216	0	7	7
H-I	-30.4229	-13.7814	-290.414	-334.6183	116	13	11	13301	1	20	18
H-K	-20.6412	-55.3339	-120.732	-196.7071	71	6	1	5441	5	22	16
H-L	0.0	0.0	-76.2872	-76.2872	40	4	2	2987	0	6	6
I-J	0.0	0.0	-67.3328	-67.3328	39	3	2	2940	0	5	7
I-L	-35.1727	-58.9676	-148.965	-243.1053	75	11	1	6088	8	22	18

Interface residues

• A-B: ALA109A, ALA111A, ALA145A, ALA14A, ALA156A, ALA156B, ALA33A, ALA35A, ALA38A, ALA84B, ALA96B, ARG103B, ARG6A, ARG6A5, ARG82B, ASN34A, ASN39A, ASN92B, ASP10A, CB5.65457-16.94740, CB8.64478-4.45306, CYS101A, CYS101B, CYS69A, GLN102A, GLN102B, GLN125B, GLN149A, GLN61A, GLU104A, GLU104B, GLU110A, GLU116A, GLU116B, GLU127B, GLU146A, GLU53B, GLY121A, GLY121B, GLY122B, GLY148A, GLY153A, GLY54B, GLY66A, GLY68A, HIS15A, HIS73B, HIS78B, ILE118A, ILE118B, ILE154A, ILE155A, ILE155B, ILE58B, ILE80B, ILE97B, LEU120A, LEU120B, LEU126B, LEU143A, LEU157A, LEU157B, LEU36A, LEU37A, LEU55B, LEU57A, LEU57B, LEU63A, LEU75B, LEU76B, LEU93B, LEU94B, LYS112A, LYS11A, LYS11B, LYS65A, LYS98A, LYS98B, PHE124B, PHE152A, PHE64A, PRO100A, PRO100B, PRO113A, PRO117A, PRO117B, PRO12A, PRO8A, SER147A, SER60A, SER71B, SER81B, SER95B, SER99A, SER99B, SER9A, THR105A, THR105B, THR72B, THR77B, THR79B, THR7A, TRP114A, TYR115A, TYR119A, TYR119B, TYR151A, TYR56B, TYR59A, TYR59B, TYR87B, VAL123B, VAL13A, VAL150A, VAL17A, VAL62A, VAL74B, VAL91B
• A-C: ALA109C, ALA111C, ALA145C, ALA14C, ALA156A, ALA156C, ALA33C, ALA35C, ALA38C, ALA84A, ALA96A, ARG103A, ARG6C, ARG82A, ASN34C, ASN39C, ASN92A, ASP10C, CYS101A, CYS101C, CYS69C, GLN102A, GLN102C, GLN125A, GLN149C, GLN61C, GLU104A, GLU104C, GLU110C, GLU116A, GLU116C, GLU127A, GLU146C, GLU53A, GLY121A, GLY121C, GLY122A, GLY148C, GLY153C, GLY54A, GLY66C, GLY68C, HIS15C, HIS73A, HIS78A, ILE118A, ILE118C, ILE154C, ILE155A, ILE155C, ILE58A, ILE58C, ILE80A, ILE97A, LEU120A, LEU120C, LEU126A, LEU143C, LEU157A, LEU157C, LEU36C, LEU37C, LEU55A, LEU57A, LEU57C, LEU63C, LEU75A, LEU76A, LEU93A, LEU94A, LYS112C, LYS11A, LYS11C, LYS65C, LYS90A, LYS98A, LYS98C, PHE124A, PHE152C, PHE64C, PRO100A, PRO100C, PRO113C, PRO117A, PRO117C, PRO12C, PRO8C, SER147C, SER60A, SER60C, SER71A, SER81A, SER95A, SER99A, SER99C, SER9C, THR105A, THR72A, THR77A, THR79A, THR7C, TRP114C, TYR115C, TYR119A, TYR119C, TYR151C, TYR56A, TYR59A, TYR59C, TYR87A, VAL123A, VAL13C, VAL150C, VAL17C, VAL62C, VAL74A, VAL91A
• A-D: ALA145A, ALA14A, ALA174D, ALA290D, ALA33A, ALA35A, ALA38A, ARG131A, ARG232D, ARG31A, ARG32A, ARG44A, ARG6A, ASN19A, ASN230D, ASN30A, ASN34A, ASN39A, ASN46A, ASP286D, ASP45A, GLN171D, GLN21A, GLN27A, GLU146A, GLU225D, GLU23A, GLU289D, GLU42A, GLU99D, GLY101D, GLY105D, GLY123D, GLY129A, GLY176D, GLY231D, GLY40A, HIS285D, ILE167D, ILE1D, LEU102D, LEU103D, LEU165D, LEU168D, LEU29A, LEU36A, LEU37A, LEU43A, LEU48A, LYS172D, LYS175D, LYS227D, MET161D, PHE104D, PHE144A, PHE222D, PHE284D, PRO20A, PRO51A, SER147A, SER164D, THR100D, THR122D, TRP28A, TYR160D, TYR226D, TYR228D, TYR233D, TYR234D, TYR25D, TYR98D, VAL16A, VAL17A, VAL229D, VAL41A, VAL49A
• A-F: ALA153F, ALA166F, ALA84A, ARG82A, ASN92A, ASP130A, CYS163F, GLN125A, GLN88A, GLU127A, GLU159F, GLU53A, GLY123F, GLY156F, GLY157F, GLY162F, HIS58F, ILE83A, LEU126A, LEU165F, LEU93A, LYS125F, LYS128A, LYS152F, LYS90A, MET161F, PHE158F, PRO57F, PRO60F, SER86A, THR122F, THR59F, THR89A, TYR120F, TYR154F, TYR160F, TYR87A, VAL85A, VAL91A
• B-C: ALA109B, ALA111B, ALA145B, ALA14B, ALA156B, ALA156C, ALA33B, ALA35B, ALA38B, ALA84C, ALA96C, ARG103C, ARG6B, ARG82C, ASN34B, ASN39B, ASN92C, ASP10B, CYS101B, CYS101C, CYS69B, GLN102B, GLN102C, GLN125C, GLN149B, GLN61B, GLU104B, GLU104C, GLU110B, GLU116B, GLU116C, GLU127C, GLU146B, GLU53C, GLY121B, GLY121C, GLY122C, GLY148B, GLY153B, GLY54C, GLY66B, GLY68B, HIS15B, HIS73C, HIS78C, ILE118B, ILE118C, ILE154B, ILE155B, ILE155C, ILE58C, ILE80C, ILE97C, LEU120B, LEU120C, LEU126C, LEU143B, LEU157B, LEU157C, LEU36B, LEU37B, LEU55C, LEU57B, LEU57C, LEU63B, LEU75C, LEU76C, LEU93C, LEU94C, LYS112B, LYS11B, LYS11C, LYS65B, LYS90C, LYS98B, LYS98C, PHE124C, PHE152B, PHE64B, PRO100B, PRO100C, PRO113B, PRO117B, PRO117C, PRO12B, PRO8B, SER147B, SER60B, SER60C, SER71C, SER81C, SER95C, SER99B, SER99C, SER9B, THR105B, THR105C, THR72C, THR77C, THR79C, THR7B, TRP114B, TYR115B, TYR119B, TYR119C, TYR151B, TYR56C, TYR59B, TYR59C, TYR87C, VAL123C, VAL13B, VAL150B, VAL17B, VAL62B, VAL74C, VAL91C
• B-D: ALA153D, ALA166D, ALA84B, ARG82B, ASN92B, ASP130B, CYS163D, GLN125B, GLN88B, GLU127B, GLU159D, GLU53B, GLY123D, GLY156D, GLY157D, GLY162D, HIS58D, ILE83B, LEU126B, LEU155D, LEU165D, LEU93B, LYS125D, LYS128B, LYS152D, LYS90B, MET161D, PHE158D, PRO57D, PRO60D, SER164D, SER86B, THR122D, THR59D, THR89B, TYR120D, TYR154D, TYR160D, TYR87B, VAL85B, VAL91B
• B-E: ALA145B, ALA290E, ALA33B, ALA35B, ALA38B, ARG131B, ARG232E, ARG31B, ARG32B, ARG44B, ARG6B, ASN19B, ASN230E, ASN30B, ASN34B, ASN39B, ASN46B, ASP286E, ASP45B, GLN171E, GLN21B, GLN27B, GLN47B, GLU146B, GLU225E, GLU23B, GLU289E, GLU42B, GLU99E, GLY101E, GLY105E, GLY123E, GLY129B, GLY231E, GLY40B, HIS285E, HIS58E, ILE167E, ILE1E, LEU102E, LEU103E, LEU165E, LEU168E, LEU29B, LEU36B, LEU37B, LEU43B, LEU48B, LYS172E, LYS175E, LYS227E, MET161E, PHE104E, PHE144B, PHE222E, PRO20B, PRO51B, SER147B, SER164E, THR100E, THR122E, TRP28B, TYR160E, TYR226E, TYR228E, TYR233E, TYR234E, TYR98E, VAL16B, VAL17B, VAL229E, VAL41B, VAL49B
• C-E: ALA153E, ALA166E, ALA84C, ARG82C, ASN92C, ASP130C, CYS163E, GLN125C, GLN88C, GLU127C, GLU159E, GLU53C, GLY123E, GLY156E, GLY157E, GLY162E, HIS58E, ILE83C, LEU126C, LEU155E, LEU165E, LEU93C, LYS125E, LYS128C, LYS152E, LYS90C, MET161E, PHE158E, PRO57E, PRO60E, SER164E, SER86C, THR122E, THR59E, THR89C, TYR120E, TYR154E, TYR160E, TYR87C, VAL85C, VAL91C
• C-F: ALA145C, ALA14C, ALA290F, ALA33C, ALA35C, ALA38C, ARG131C, ARG232F, ARG31C, ARG32C, ARG44C, ARG6C, ASN19C, ASN230F, ASN30C, ASN34C, ASN39C, ASN46C, ASP181F, ASP286F, ASP45C, GLN171F, GLN21C, GLN27C, GLN47C, GLU146C, GLU225F, GLU23C, GLU289F, GLU42C, GLU99F, GLY101F, GLY105F, GLY123F, GLY129C, GLY231F, GLY40C, HIS285F, ILE167F, ILE1F, LEU102F, LEU103F, LEU165F, LEU168F, LEU29C, LEU36C, LEU37C, LEU43C, LEU48C, LYS172F, LYS175F, LYS227F, MET161F, PHE104F, PHE144C, PHE222F, PHE284F, PRO20C, PRO51C, SER147C, SER164F, THR100F, THR122F, TRP28C, TYR160F, TYR226F, TYR228F, TYR233F, TYR234F, TYR25F, TYR98F, VAL16C, VAL17C, VAL229F, VAL41C, VAL49C
• G-H: ALA109H, ALA111H, ALA145H, ALA14H, ALA156G, ALA156H, ALA33H, ALA35H, ALA38H, ALA84G, ALA96G, ARG103G, ARG6H, ARG82G, ASN34H, ASN39H, ASN92G, ASP10H, ASP130G, CYS101G, CYS101H, CYS69H, GLN102G, GLN102H, GLN125G, GLN149H, GLN61H, GLU104G, GLU104H, GLU110H, GLU116G, GLU116H, GLU127G, GLU146H, GLU53G, GLY121G, GLY121H, GLY122G, GLY148H, GLY153H, GLY54G, GLY66H, GLY68H, HIS15H, HIS73G, HIS78G, ILE118G, ILE118H, ILE154H, ILE155G, ILE155H, ILE58G, ILE80G, ILE97G, LEU120G, LEU120H, LEU126G, LEU143H, LEU157G, LEU157H, LEU36H, LEU37H, LEU55G, LEU57G, LEU57H, LEU63H, LEU75G, LEU76G, LEU93G, LEU94G, LYS112H, LYS11G, LYS11H, LYS65H, LYS98G, LYS98H, PHE124G, PHE152H, PHE64H, PRO100G, PRO100H, PRO113H, PRO117G, PRO117H, PRO12H, PRO8H, SER147H, SER60G, SER60H, SER71G, SER81G, SER95G, SER99G, SER99H, SER9H, THR105G, THR105H, THR72G, THR77G, THR79G, THR7H, TRP114H, TYR115H, TYR119G, TYR119H, TYR151H, TYR56G, TYR59G, TYR59H, TYR87G, VAL123G, VAL13H, VAL150H, VAL17H, VAL62H, VAL74G, VAL91G
• G-I: ALA109G, ALA111G, ALA145G, ALA14G, ALA156G, ALA156I, ALA33G, ALA35G, ALA38G, ALA84I, ALA96I, ARG103I, ARG6G, ARG82I, ASN34G, ASN39G, ASN92I, ASP10G, CYS101G, CYS101I, CYS69G, GLN102G, GLN102I, GLN125I, GLN149G, GLN61G, GLU104G, GLU104I, GLU110G, GLU116G, GLU116I, GLU127I, GLU146G, GLU53I, GLY121G, GLY121I, GLY122I, GLY148G, GLY153G, GLY54I, GLY66G, GLY68G, HIS15G, HIS73I, HIS78I, ILE118G, ILE118I, ILE154G, ILE155G, ILE155I, ILE58I, ILE80I, ILE97I, LEU120G, LEU120I, LEU126I, LEU143G, LEU157G, LEU157I, LEU36G, LEU55I, LEU57G, LEU57I, LEU63G, LEU75I, LEU76I, LEU93I, LEU94I, LYS112G, LYS11G, LYS11I, LYS65G, LYS90I, LYS98G, LYS98I, PHE124I, PHE152G, PHE64G, PRO100G, PRO100I, PRO113G, PRO117G, PRO117I, PRO12G, PRO8G, SER147G, SER60G, SER60I, SER71I, SER81I, SER95I, SER99G, SER99I, SER9G, THR105G, THR105I, THR72I, THR77I, THR79I, THR7G, TRP114G, TYR115G, TYR119G, TYR119I, TYR151G, TYR56I, TYR59G, TYR59I, TYR87I, VAL123I, VAL13G, VAL150G, VAL17G, VAL62G, VAL74I, VAL91I
• G-J: ALA145G, ALA166J, ALA290J, ALA33G, ALA35G, ALA38G, ARG131G, ARG232J, ARG31G, ARG32G, ARG44G, ARG6G, ASN19G, ASN230J, ASN30G, ASN34G, ASN39G, ASN46G, ASP124J, ASP181J, ASP286J, ASP45G, GLN171J, GLN21G, GLN27G, GLN47G, GLU146G, GLU225J, GLU23G, GLU289J, GLU42G, GLU99J, GLY101J, GLY105J, GLY123J, GLY129G, GLY231J, GLY40G, HIS285J, ILE167J, ILE1J, LEU102J, LEU103J, LEU165J, LEU168J, LEU29G, LEU36G, LEU37G, LEU43G, LEU48G, LYS172J, LYS175J, LYS223J, LYS227J, MET161J, PHE104J, PHE144G, PHE222J, PHE284J, PRO20G, PRO51G, SER147G, SER164J, THR100J, THR122J, TRP28G, TYR160J, TYR226J, TYR228J, TYR233J, TYR234J, TYR98J, VAL16G, VAL17G, VAL229J, VAL41G, VAL49G
• G-K: ALA153K, ALA166K, ALA84G, ARG82G, ASN92G, ASP130G, CYS163K, GLN125G, GLN88G, GLU127G, GLU159K, GLU53G, GLY123K, GLY156K, GLY157K, GLY162K, HIS121K, HIS58K, ILE83G, LEU126G, LEU155K, LEU165K, LEU93G, LYS125K, LYS128G, LYS152K, LYS90G, MET161K, PHE158K, PRO57K, PRO60K, SER86G, THR122K, THR59K, THR89G, TYR120K, TYR154K, TYR160K, TYR87G, VAL85G, VAL91G
• H-I: ALA109I, ALA111I, ALA145I, ALA14I, ALA156H, ALA156I, ALA33I, ALA35I, ALA38I, ALA84H, ALA96H, ARG103H, ARG6I, ARG82H, ASN34I, ASN39I, ASN92H, ASP10I, CYS101H, CYS101I, CYS69I, GLN102H, GLN102I, GLN125H, GLN149I, GLN61I, GLU104H, GLU104I, GLU110I, GLU116H, GLU116I, GLU127H, GLU146I, GLU53H, GLY121H, GLY121I, GLY122H, GLY148I, GLY153I, GLY54H, GLY66I, GLY68I, HIS15I, HIS73H, HIS78H, ILE118H, ILE118I, ILE154I, ILE155H, ILE155I, ILE58H, ILE58I, ILE80H, ILE97H, LEU120H, LEU120I, LEU126H, LEU143I, LEU157H, LEU157I, LEU36I, LEU37I, LEU55H, LEU57H, LEU57I, LEU63I, LEU75H, LEU76H, LEU93H, LEU94H, LYS112I, LYS11H, LYS11I, LYS65I, LYS98H, LYS98I, PHE124H, PHE152I, PHE64I, PRO100H, PRO100I, PRO113I, PRO117H, PRO117I, PRO12I, PRO8I, SER147I, SER60H, SER60I, SER71H, SER81H, SER95H, SER99H, SER99I, SER9I, THR105H, THR72H, THR77H, THR79H, THR7I, TRP114I, TYR115I, TYR119H, TYR119I, TYR151I, TYR56H, TYR59H, TYR59I, TYR87H, VAL123H, VAL13I, VAL150I, VAL17I, VAL62I, VAL74H, VAL91H
• H-K: ALA145H, ALA33H, ALA35H, ALA38H, ARG131H, ARG232K, ARG31H, ARG32H, ARG44H, ARG6H, ASN19H, ASN230K, ASN30H, ASN34H, ASN39H, ASN46H, ASP286K, ASP45H, GLN171K, GLN21H, GLN27H, GLU146H, GLU225K, GLU23H, GLU289K, GLU42H, GLU99K, GLY101K, GLY105K, GLY123K, GLY129H, GLY231K, GLY40H, HIS58K, ILE167K, ILE1K, LEU102K, LEU103K, LEU165K, LEU168K, LEU29H, LEU36H, LEU37H, LEU43H, LEU48H, LYS128H, LYS172K, LYS175K, LYS227K, MET161K, PHE104K, PHE144H, PHE222K, PRO20H, PRO51H, SER147H, SER164K, THR100K, THR122K, TRP28H, TYR160K, TYR226K, TYR228K, TYR233K, TYR234K, TYR98K, VAL16H, VAL17H, VAL229K, VAL41H, VAL49H
• H-L: ALA153L, ALA166L, ALA84H, ARG82H, ASN92H, ASP130H, CYS163L, GLN125H, GLN88H, GLU127H, GLU159L, GLU53H, GLY123L, GLY156L, GLY157L, GLY162L, HIS58L, ILE83H, LEU126H, LEU165L, LEU93H, LYS125L, LYS128H, LYS152L, LYS90H, MET161L, PHE158L, PRO57L, PRO60L, SER164L, SER86H, THR122L, THR59L, THR89H, TYR120L, TYR154L, TYR160L, TYR87H, VAL85H, VAL91H
• I-J: ALA153J, ALA166J, ALA84I, ARG82I, ASN92I, ASP130I, CYS163J, GLN125I, GLN88I, GLU127I, GLU159J, GLU53I, GLY123J, GLY156J, GLY157J, GLY162J, HIS58J, ILE83I, LEU126I, LEU165J, LEU93I, LYS125J, LYS128I, LYS152J, LYS90I, MET161J, PHE158J, PRO57J, PRO60J, SER86I, THR122J, THR59J, THR89I, TYR120J, TYR154J, TYR160J, TYR87I, VAL85I, VAL91I
• I-L: ALA145I, ALA14I, ALA290L, ALA33I, ALA35I, ALA38I, ARG131I, ARG232L, ARG31I, ARG32I, ARG44I, ARG6I, ASN19I, ASN230L, ASN30I, ASN34I, ASN39I, ASN46I, ASP181L, ASP286L, ASP45I, GLN171L, GLN21I, GLN27I, GLN47I, GLU146I, GLU225L, GLU23I, GLU289L, GLU42I, GLU99L, GLY101L, GLY105L, GLY123L, GLY129I, GLY231L, GLY40I, HIS285L, ILE167L, ILE1L, LEU102L, LEU103L, LEU165L, LEU168L, LEU29I, LEU36I, LEU37I, LEU43I, LEU48I, LYS172L, LYS175L, LYS227L, MET161L, PHE104L, PHE144I, PHE222L, PHE284L, PRO20I, PRO51I, SER147I, SER164L, THR100L, THR122L, TRP28I, TYR160L, TYR226L, TYR228L, TYR233L, TYR234L, TYR98L, VAL16I, VAL17I, VAL229L, VAL41I, VAL49I