1UF3

crystal structure of tt1561 of thermus thermophilus hb8

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 30
  • Norm. En. per Res.: -6.9283
• 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	-34.6572	-38.7325	-309.712	-383.1018	112	10	4	12231	2	42	46
A-D	0.0	8.5723	-40.0881	-31.5158	35	0	0	1716	0	19	14
A-F	-10.9948	-68.6436	-110.57	-190.2085	51	4	0	4415	3	33	25
A-G	-31.7182	-13.7902	-149.469	-194.9774	72	10	3	6279	0	26	29
A-H	-11.266	-57.511	-65.5584	-134.3354	28	4	0	2437	2	16	11
B-G	-22.4923	-18.9869	-102.915	-144.3943	41	4	0	3327	5	21	31
B-H	-13.6032	-75.7563	-145.484	-234.8434	65	4	3	5555	6	24	26
C-D	-17.8743	-22.2997	-320.725	-360.899	114	10	4	12098	1	44	45
C-E	-8.4699	-40.9859	-141.016	-190.4718	66	5	3	5507	4	23	23
C-F	-17.658	-24.5294	-90.1222	-132.3096	41	5	0	3056	7	22	31
D-E	-21.6375	-95.4814	-90.7306	-207.8494	30	8	0	2956	4	17	11
D-F	-19.3994	-55.4804	-152.17	-227.0498	68	4	3	5933	3	25	28
D-G	-17.7191	-65.3639	-120.027	-203.11	52	5	0	4444	3	33	27
E-F	-31.6235	-38.4716	-317.45	-387.5451	113	11	4	12145	2	45	47
E-G	0.0	6.8698	-15.5257	-8.6559	30	0	2	952	0	8	10
E-H	-15.4148	-50.9217	-82.8567	-149.1932	46	2	0	2794	6	38	34
F-H	0.0	6.9942	-16.8797	-9.8855	27	0	2	962	0	8	10
G-H	-40.5583	-32.5414	-320.607	-393.7068	115	12	4	12223	2	45	46

Interface residues

• A-B: ALA133B, ALA142A, ALA142B, ALA84A, ALA84B, ALA85A, ALA85B, ARG130A, ARG130B, ARG139A, ARG139B, ARG82A, ARG82B, ARG95A, ARG95B, ASN86A, ASN86B, ASN96A, ASN96B, ASP119A, ASP119B, GLU120A, GLU120B, GLU122A, GLU122B, GLU124A, GLU124B, GLU125A, GLU125B, GLU137A, GLU137B, GLU145A, GLU145B, GLU79A, GLU79B, GLU83A, GLU83B, GLU88A, GLU88B, GLU99A, GLU99B, GLY121A, GLY121B, HIS126A, HIS126B, HIS91A, HIS91B, HIS98A, HIS98B, ILE77A, ILE77B, LEU109A, LEU109B, LEU129B, LEU140A, LEU140B, LEU143A, LEU143B, LEU146A, LEU146B, LEU81A, LEU81B, LEU89A, LEU89B, LYS141A, LYS141B, LYS147A, LYS147B, PHE101A, PHE101B, PHE103A, PHE103B, PHE56B, PRO123A, PRO123B, PRO132A, PRO132B, PRO76A, PRO76B, PRO92A, PRO92B, THR100A, THR100B, THR102A, THR102B, TRP104A, TRP104B, TRP134A, TRP134B, TRP144A, TRP144B, TRP78A, TRP78B, TYR131A, TYR131B, TYR138A, TYR138B, TYR149A, TYR149B, TYR68A, TYR68B, TYR80A, TYR80B, VAL110A, VAL135A, VAL135B, VAL87A, VAL87B, VAL90A, VAL90B, VAL97A, VAL97B
• A-D: ALA20A, ALA28A, ALA28D, ALA62A, ALA62D, ARG228A, ARG228D, ASN226A, ASN226D, ASP30A, ASP30D, GLU19A, GLU19D, GLU22A, GLU61A, GLU61D, GLY225D, GLY32A, GLY32D, LEU27A, LEU27D, LYS23A, LYS23D, LYS26A, LYS26D, PRO29A, PRO29D, THR31A, THR31D, TYR212A, TYR212D, VAL227A, VAL227D, VAL25A, VAL25D
• A-F: ALA219A, ALA28A, ALA28F, ALA33A, ALA33F, ALA35F, ALA62F, ARG105F, ARG218A, ARG220A, ARG2F, ARG3A, ARG3F, ARG6A, ARG6F, ASP216A, ASP30A, ASP30F, ASP34A, ASP34F, GLU223A, GLU223F, GLU61F, GLU93F, GLY32A, GLY32F, HIS63F, ILE36F, LEU214A, LEU214F, LEU215A, LEU217A, LEU222A, LEU27A, LEU27F, LEU64F, LYS221A, LYS26F, PRO29A, PRO29F, PRO65F, PRO92F, SER60F, THR31A, THR31F, THR4A, THR4F, TYR7A, TYR7F, VAL25F, VAL5F
• A-G: 5117CB6.7985, ALA198G, ALA219G, ALA28A, ALA62A, ALA85A, ARG105A, ARG105G, ARG218G, ARG220G, ARG2A, ARG2A5, ARG3A, ARG3G, ARG57A, ARG6G, ARG95A, ASN180G, ASN86A, ASP148G, ASP216G, ASP30A, GLU22A, GLU61A, GLU88A, GLU93A, GLY106G, GLY197G, HIS179G, HIS63A, HIS91A, ILE152G, ILE176G, ILE36A, ILE58A, LEU109G, LEU146G, LEU182G, LEU183G, LEU217G, LEU64A, LEU89A, LYS147G, LYS151G, LYS177G, LYS221G, LYS26A, PHE101A, PHE103A, PHE103G, PRO107G, PRO150G, PRO181G, PRO29A, PRO65A, PRO92A, SER199G, SER60A, THR102A, THR178G, THR4G, THR66A, TRP104A, TRP144G, TRP200G, TYR108G, TYR149G, VAL184G, VAL25A, VAL5G, VAL87A, VAL90A
• A-H: ARG105A, ARG105H, ARG2A, ARG2H, ARG3A, ARG3H, ASP148A, ASP148H, GLU145A, GLU145H, GLY106A, GLY106H, LEU109H, LEU146A, LEU146H, LYS147A, LYS147H, PHE103A, PHE103H, PRO107A, PRO107H, PRO150H, THR4A, THR4H, TRP144A, TRP144H, TYR149A, TYR149H
• B-G: ALA133B, ALA133G, ALA142B, ALA142G, ALA173B, ALA173G, ASN180B, ASN180G, ASP148B, ASP148G, GLU137B, GLU137G, GLU145B, GLU145G, GLU171B, GLU171G, HIS170B, HIS170G, HIS174B, HIS174G, HIS179B, HIS179G, ILE176B, ILE176G, LEU143B, LEU143G, LEU146B, LEU146G, LEU175B, LEU175G, LYS141B, LYS141G, LYS147B, LYS147G, LYS177B, LYS177G, THR178B, THR178G, TRP134B, TRP144B, TRP144G
• B-H: ALA198B, ALA219B, ALA62H, ALA85H, ARG105B, ARG105H, ARG218B, ARG220B, ARG2H, ARG3H, ARG57H, ARG6B, ARG82H, ARG95H, ASN180B, ASN86H, ASP148B, GLU145B, GLU22H, GLU61H, GLU88H, GLU93H, GLY106B, GLY197B, HIS179B, HIS63H, HIS91H, ILE176B, ILE58H, LEU109B, LEU146B, LEU182B, LEU183B, LEU196B, LEU217B, LEU64H, LEU89H, LYS147B, LYS151B, LYS177B, LYS26H, PHE101H, PHE103B, PHE103H, PRO107B, PRO150B, PRO181B, PRO29H, PRO65H, PRO92H, SER199B, SER60H, THR102H, THR178B, THR4B, THR66H, TRP104H, TRP144B, TRP200B, TYR108B, TYR149B, VAL25H, VAL5B, VAL87H, VAL90H
• C-D: ALA133C, ALA133D, ALA136D, ALA142C, ALA142D, ALA84C, ALA84D, ALA85C, ALA85D, ARG130C, ARG130D, ARG139C, ARG139D, ARG82C, ARG82D, ARG95C, ARG95D, ASN86C, ASN86D, ASN96C, ASN96D, ASP119C, ASP119D, GLU120C, GLU120D, GLU122C, GLU122D, GLU124C, GLU124D, GLU125C, GLU125D, GLU137C, GLU137D, GLU145C, GLU145D, GLU79C, GLU79D, GLU83C, GLU83D, GLU88C, GLU88D, GLU93C, GLU99C, GLU99D, GLY121C, GLY121D, HIS126C, HIS126D, HIS91C, HIS91D, HIS98C, HIS98D, ILE77C, ILE77D, LEU109C, LEU109D, LEU140C, LEU140D, LEU143C, LEU143D, LEU146C, LEU146D, LEU81C, LEU81D, LEU89C, LEU89D, LYS141C, LYS141D, LYS147C, LYS147D, PHE101C, PHE101D, PHE103C, PHE103D, PHE56D, PRO123C, PRO123D, PRO132C, PRO132D, PRO76C, PRO76D, PRO92C, PRO92D, THR100C, THR100D, THR102C, THR102D, TRP104C, TRP104D, TRP134C, TRP134D, TRP144C, TRP144D, TRP78C, TRP78D, TYR131C, TYR131D, TYR138C, TYR138D, TYR149C, TYR149D, TYR68C, TYR68D, TYR80C, TYR80D, VAL110D, VAL135C, VAL135D, VAL87C, VAL87D, VAL90C, VAL90D, VAL97C, VAL97D
• C-E: ALA198C, ALA219C, ALA62E, ALA85E, ARG105C, ARG105E, ARG218C, ARG220C, ARG2E, ARG3E, ARG57E, ARG6C, ARG95E, ASN180C, ASN86E, ASP148C, ASP216C, GLU22E, GLU61E, GLU88E, GLU93E, GLY106C, GLY197C, HIS179C, HIS63E, HIS91E, ILE152C, ILE176C, ILE58E, LEU109C, LEU146C, LEU182C, LEU183C, LEU217C, LEU64E, LEU89E, LYS147C, LYS151C, LYS177C, LYS221C, PHE101E, PHE103C, PHE103E, PRO107C, PRO150C, PRO181C, PRO29E, PRO65E, PRO92E, SER199C, SER60E, THR102E, THR178C, THR4C, THR66E, TRP104C, TRP104E, TRP144C, TRP200C, TYR108C, TYR149C, VAL184C, VAL25E, VAL5C, VAL87E, VAL90E
• C-F: ALA133C, ALA133F, ALA142C, ALA142F, ALA173C, ALA173F, ASN180C, ASN180F, ASP148C, ASP148F, GLU137C, GLU137F, GLU145C, GLU145F, GLU171C, GLU171F, HIS170C, HIS170F, HIS174C, HIS174F, HIS179C, HIS179F, ILE176C, ILE176F, LEU143C, LEU143F, LEU146C, LEU146F, LEU175C, LEU175F, LYS141C, LYS141F, LYS147C, LYS147F, LYS177C, LYS177F, THR178C, THR178F, TRP134C, TRP144C, TRP144F
• D-E: ARG105D, ARG105E, ARG2D, ARG2E, ARG3D, ARG3E, ASP148D, ASP148E, GLU145D, GLU145E, GLY106D, GLY106E, LEU109D, LEU109E, LEU146D, LEU146E, LYS147D, LYS147E, PHE103D, PHE103E, PRO107D, PRO107E, PRO150D, PRO150E, THR4D, THR4E, TRP144D, TRP144E, TYR149D, TYR149E
• D-F: ALA198F, ALA219F, ALA28D, ALA62D, ALA85D, ARG105D, ARG105F, ARG218F, ARG220F, ARG2D, ARG3D, ARG3F, ARG57D, ARG6F, ARG95D, ASN180F, ASN86D, ASP148F, ASP30D, GLU22D, GLU61D, GLU88D, GLU93D, GLY106F, GLY197F, HIS179F, HIS63D, HIS91D, ILE152F, ILE176F, ILE58D, LEU109F, LEU146F, LEU182F, LEU183F, LEU217F, LEU64D, LEU89D, LYS147F, LYS151F, LYS177F, LYS26D, PHE101D, PHE103D, PHE103F, PRO107F, PRO150F, PRO181F, PRO29D, PRO65D, PRO92D, SER199F, SER60D, THR102D, THR178F, THR4F, THR66D, TRP104D, TRP104F, TRP144F, TRP200F, TYR108F, TYR149F, VAL184F, VAL25D, VAL5F, VAL87D, VAL90D
• D-G: ALA219D, ALA28D, ALA28G, ALA33D, ALA33G, ALA35G, ALA62G, ARG105G, ARG218D, ARG218G, ARG220D, ARG2G, ARG3D, ARG3G, ARG6D, ARG6G, ASP216D, ASP30D, ASP30G, ASP34D, ASP34G, GLU223D, GLU223G, GLU61G, GLU93G, GLY32D, GLY32G, HIS63G, ILE36G, LEU214D, LEU214G, LEU215D, LEU217D, LEU222D, LEU27D, LEU27G, LEU64G, LEU9G, LYS221D, LYS26G, PRO29D, PRO29G, PRO65G, PRO92G, THR31D, THR31G, THR4D, THR4G, TYR7D, TYR7G, VAL25G, VAL5G
• E-F: ALA133E, ALA142E, ALA142F, ALA84E, ALA84F, ALA85E, ALA85F, ARG130E, ARG130F, ARG139E, ARG139F, ARG82E, ARG82F, ARG95E, ARG95F, ASN86E, ASN86F, ASN96E, ASN96F, ASP119E, GLU120E, GLU120F, GLU122E, GLU122F, GLU124E, GLU124F, GLU125E, GLU125F, GLU137E, GLU137F, GLU145E, GLU145F, GLU79E, GLU79F, GLU83E, GLU83F, GLU88E, GLU88F, GLU99E, GLU99F, GLY121E, GLY121F, HIS126E, HIS126F, HIS174E, HIS174F, HIS91E, HIS91F, HIS98E, HIS98F, ILE77E, ILE77F, LEU109E, LEU109F, LEU129E, LEU129F, LEU140E, LEU140F, LEU143E, LEU143F, LEU146E, LEU146F, LEU81E, LEU81F, LEU89E, LEU89F, LYS141E, LYS141F, LYS147E, LYS147F, PHE101E, PHE101F, PHE103E, PHE103F, PRO123E, PRO123F, PRO132E, PRO132F, PRO76E, PRO76F, PRO92E, PRO92F, SER49F, THR100E, THR100F, THR102E, THR102F, TRP104E, TRP104F, TRP134E, TRP134F, TRP144E, TRP144F, TRP78E, TRP78F, TYR131E, TYR131F, TYR138E, TYR138F, TYR149E, TYR149F, TYR68E, TYR68F, TYR80E, TYR80F, VAL110F, VAL135E, VAL135F, VAL87E, VAL87F, VAL90F, VAL97E, VAL97F
• E-G: ALA198E, ALA85G, ARG105G, ARG218E, ARG220E, ARG82G, ASN180E, ASN86G, ASP148E, GLU61G, GLU88G, GLU93G, GLY197E, HIS179E, HIS91G, ILE176E, LEU182E, LEU196E, LEU89G, LYS151E, LYS177E, PRO150E, PRO181E, PRO92G, SER199E, THR178E, TRP144E, TYR149E, VAL87G, VAL90G
• E-H: ALA133E, ALA133H, ALA173E, ALA173H, ASN180E, ASN180H, ASP119E, ASP119H, GLU120E, GLU120H, GLU137E, GLU137H, GLU171E, GLU171H, GLY121E, GLY197E, GLY197H, HIS170E, HIS170H, HIS174E, HIS174H, HIS179E, HIS179H, ILE176E, ILE176H, LEU175E, LEU175H, LEU196E, LEU196H, LYS141E, LYS141H, LYS147E, LYS147H, LYS162E, LYS162H, LYS177E, LYS177H, THR178E, THR178H, TRP134E, TRP134H, TRP144E, TRP144H, TYR160E, TYR160H, VAL172E
• F-H: ALA198H, ALA85F, ARG220H, ARG57F, ARG82F, ASN180H, ASN86F, ASP148H, GLU88F, GLU93F, GLY197H, HIS179H, HIS91F, ILE176H, LEU182H, LEU196H, LEU89F, LYS177H, PRO150H, PRO181H, PRO92F, SER199H, THR178H, TRP144H, TYR149H, VAL87F, VAL90F
• G-H: ALA133G, ALA136G, ALA142G, ALA142H, ALA84G, ALA84H, ALA85G, ALA85H, ARG130G, ARG130H, ARG139G, ARG139H, ARG82G, ARG82H, ARG95G, ARG95H, ASN86G, ASN86H, ASN96G, ASN96H, ASP119G, GLU120G, GLU120H, GLU122G, GLU122H, GLU124G, GLU124H, GLU125G, GLU125H, GLU137G, GLU137H, GLU145G, GLU145H, GLU79G, GLU79H, GLU83G, GLU83H, GLU88G, GLU88H, GLU99G, GLU99H, GLY121G, GLY121H, HIS126G, HIS126H, HIS174H, HIS91G, HIS91H, HIS98G, HIS98H, ILE77G, ILE77H, LEU109G, LEU109H, LEU129H, LEU140G, LEU140H, LEU143G, LEU143H, LEU146G, LEU146H, LEU81G, LEU81H, LEU89G, LEU89H, LYS141G, LYS141H, LYS147G, LYS147H, PHE101G, PHE101H, PHE103G, PHE103H, PHE56H, PRO123G, PRO123H, PRO132G, PRO132H, PRO76G, PRO76H, PRO92G, PRO92H, THR100G, THR100H, THR102G, THR102H, TRP104G, TRP104H, TRP134G, TRP134H, TRP144G, TRP144H, TRP78G, TRP78H, TYR108G, TYR131G, TYR131H, TYR138G, TYR138H, TYR149G, TYR149H, TYR68G, TYR68H, TYR80G, TYR80H, VAL110G, VAL110H, VAL135G, VAL135H, VAL87G, VAL87H, VAL90G, VAL90H, VAL97G, VAL97H