3U61

structure of t4 bacteriophage clamp loader bound to closed clamp, dna and atp analog and adp

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: H-F
  • Int. Res.: 58
  • Norm. En. per Res.: -4.0067
• Hub Node: B(6)

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
B-C	-13.6021	-3.3004	-251.51	-268.4125	143	32	11	11227	0	53	44
B-D	0.0	0.0	-3.4188	-3.4188	26	0	0	422	0	6	4
B-E	0.0	0.0	-1.4369	-1.4369	10	6	0	508	0	0	0
B-A	-51.9021	8.8058	-301.764	-344.8603	129	37	9	14063	0	32	34
B-G	0.0	0.0	-1.1796	-1.1796	14	0	0	187	0	3	4
B-F	-5.4272	0.0	-29.2121	-34.6393	33	15	4	2274	0	4	5
C-D	-66.5243	-160.1678	-432.835	-659.5272	206	74	10	19791	16	81	77
C-E	0.0	0.0	-0.8947	-0.8947	5	0	0	155	0	0	0
C-G	-14.7424	0.0	43.8636	29.1212	75	63	7	6362	0	15	11
D-E	-48.7684	-166.2042	-389.044	-604.0166	191	67	8	18181	16	75	69
D-A	0.0	0.0	-0.0041	-0.0041	2	0	0	5	0	0	0
D-G	-10.6327	5.8779	-56.986	-61.7408	43	25	6	3743	0	7	6
D-H	0.0	-29.1923	-47.5269	-76.7192	47	4	0	2625	4	18	16
E-A	-43.5673	-7.1966	-240.327	-291.0909	128	45	8	12266	3	34	33
E-H	-8.3401	0.0	-69.7876	-78.1277	63	9	7	3972	0	10	5
A-H	0.0	-4.652	-31.4778	-36.1298	24	1	0	1321	0	5	5
A-F	0.0	-49.4431	-132.322	-181.7651	81	8	7	6023	4	14	13
G-H	-38.1593	-33.4158	-124.914	-196.4891	55	6	8	5654	1	15	11
G-F	-27.6924	-48.8439	-126.207	-202.7432	55	5	5	5511	3	14	11
H-F	-66.1192	-23.5398	-142.732	-232.391	58	15	5	5884	2	16	13

Interface residues

• B-C: ALA115C, ALA127C, ALA234B, ALA252B, ALA254B, ALA258B, ALA259B, ALA269C, ALA298B, ALA298C, ALA299B, ALA306B, ALA313B, ARG111B, ARG119C, ARG122C, ARG151C, ARG153C, ARG251B, ARG283C, ARG85C, ASN131C, ASN139C, ASN140C, ASN291B, ASN291C, ASN292B, ASN292C, ASN300B, ASN75B, ASP107B, ASP110C, ASP142C, ASP212B, ASP236B, ASP237B, ASP246B, ASP260B, ASP260C, ASP78B, CYS314B, GLN13B, GLN149C, GLN159C, GLN249B, GLN279C, GLN293B, GLN293C, GLN311B, GLU108B, GLU116C, GLU126C, GLU12B, GLU270C, GLU271C, GLU286B, GLU286C, GLU290B, GLU290C, GLU302B, GLU315B, GLU8B, GLY113B, GLY143C, GLY209B, GLY266C, GLY289B, GLY289C, GLY296B, GLY296C, GLY76B, HIS120C, HIS295B, HIS295C, HIS304B, HIS304C, HIS48C, HIS9B, ILE10B, ILE141C, ILE235B, ILE272C, ILE281C, ILE282C, ILE287B, ILE287C, ILE297B, ILE297C, ILE310B, ILE81C, LEU250B, LEU253B, LEU268C, LEU303B, LEU305B, LEU308B, LEU308C, LYS146C, LYS245B, LYS248B, LYS256B, LYS267B, LYS267C, LYS80B, MET125C, MET284C, PHE264B, PHE264C, PHE309B, PRO147C, PRO255B, PRO278C, PRO50C, PRO52C, SER112B, SER112C, SER123C, SER129C, SER130C, SER150C, SER262C, SER274C, SER49C, SER51C, SER77B, THR156C, THR301B, THR301C, TRP263B, TRP263C, TYR128C, TYR257B, TYR261B, TYR261C, TYR273C, TYR285C, TYR294B, TYR294C, TYR307B, VAL247B, VAL265C, VAL288B, VAL288C
• B-D: ALA258B, ALA259B, ALA298B, ALA299B, ARG119D, ASN140D, ASN300B, ASP142D, ASP260B, GLN293B, GLN293D, GLU290B, GLU302B, GLY296B, HIS295B, ILE145D, ILE297B, ILE297D, LYS146D, PRO147D, PRO255B, SER262B, THR301B, TYR261B, TYR294B, TYR294D
• B-E: ALA298E, ALA299E, GLN293B, GLN293E, GLU290B, GLY296E, ILE297B, ILE297E, TYR294B, TYR294E
• B-A: ALA100A, ALA101A, ALA115B, ALA127B, ALA16A, ALA24A, ALA269B, ALA28A, ALA29A, ALA56A, ALA78A, ALA81A, ALA92B, ALA93A, ARG111B, ARG119B, ARG122B, ARG151B, ARG283B, ARG85B, ASN11A, ASN131B, ASN140B, ASN291B, ASN292B, ASN83A, ASN90B, ASN96A, ASP142B, ASP21A, ASP30A, ASP59A, CYS53A, GLN118B, GLN149B, GLN14A, GLN26A, GLN279B, GLN293B, GLN57A, GLN9A, GLU116B, GLU126B, GLU12A, GLU270B, GLU286B, GLU290B, GLU34A, GLU39A, GLU42A, GLU92A, GLY143B, GLY266B, GLY289B, GLY86A, GLY86B, GLY88A, HIS120B, HIS13A, HIS94A, ILE141B, ILE144B, ILE145B, ILE281B, ILE282B, ILE287B, ILE55A, ILE81B, ILE85A, LEU10A, LEU121B, LEU148B, LEU84A, LEU88B, LEU89A, LEU98A, LYS146B, LYS20A, LYS267B, LYS33A, LYS52A, LYS58A, LYS62A, MET125B, MET284B, MET82A, MET99A, PHE124B, PHE32A, PHE83B, PHE95A, PRO103A, PRO147B, PRO278B, PRO77A, SER112B, SER117B, SER123B, SER129B, SER130B, SER19A, SER262B, SER274B, SER27A, SER280B, SER31A, SER54A, SER87A, SER90A, SER93B, THR23A, THR277B, THR89B, TRP17A, TRP22A, TYR128B, TYR18A, TYR261B, TYR273B, TYR285B, TYR294B, TYR80A, TYR97A, VAL102A, VAL15A, VAL25A, VAL265B, VAL288B, VAL84B
• B-G: ALA1159G, ARG1162G, ASN1153G, ASN90B, GLN1134G, GLU1156G, GLY86B, LYS7B, MET72B, PHE83B, PHE91B, PRO87B, SER1158G, VAL1155G
• B-F: ALA3053F, ALA3094F, ALA3095F, ALA92B, ALA94B, ALA95B, ARG85B, ASN131B, ASN3080F, ASN90B, ASP3056F, ASP3078F, ASP3096F, GLY3079F, GLY86B, LEU88B, LYS102B, PHE124B, PHE91B, PHE97B, PRO3093F, PRO3097F, PRO87B, SER130B, SER3098F, SER93B, SER96B, THR3099F, THR89B, TRP3092F, TYR128B, TYR3055F, VAL3100F
• C-D: ALA115D, ALA127D, ALA138C, ALA258C, ALA259C, ALA269D, ALA298C, ALA298D, ALA299C, ALA306C, ALA313C, ARG111C, ARG119D, ARG122D, ARG151D, ARG153D, ARG16C, ARG205C, ARG232C, ARG251C, ARG283D, ARG85D, ASN131D, ASN139C, ASN140C, ASN291C, ASN291D, ASN292C, ASN292D, ASN300C, ASN5C, ASN75C, ASP107C, ASP110C, ASP142D, ASP162D, ASP203C, ASP212C, ASP246C, ASP260C, ASP260D, ASP29D, ASP78C, ASP82D, CYS132D, CYS152D, CYS314C, CYS79C, GLN101D, GLN118D, GLN13C, GLN149D, GLN159D, GLN249C, GLN293C, GLN293D, GLN311C, GLU108C, GLU116D, GLU126D, GLU12C, GLU183C, GLU210C, GLU270D, GLU271D, GLU286D, GLU290C, GLU290D, GLU302C, GLU315C, GLU31D, GLU6C, GLU8C, GLY113C, GLY158D, GLY209C, GLY218C, GLY266D, GLY289C, GLY289D, GLY296C, GLY296D, GLY40D, GLY53C, GLY76C, HIS120D, HIS295C, HIS295D, HIS304C, HIS304D, HIS44D, HIS48D, HIS9C, ILE106C, ILE10C, ILE134D, ILE141D, ILE145D, ILE155D, ILE185C, ILE208C, ILE224C, ILE281D, ILE282D, ILE287C, ILE287D, ILE297C, ILE297D, ILE310C, ILE36D, ILE42D, ILE45D, ILE46D, ILE81D, LEU114C, LEU11C, LEU121D, LEU148D, LEU211C, LEU227C, LEU250C, LEU268D, LEU303C, LEU305C, LEU308C, LEU308D, LYS102D, LYS146D, LYS14C, LYS206C, LYS217C, LYS248C, LYS256C, LYS267D, LYS34D, LYS39D, LYS41D, LYS56C, LYS61C, LYS7C, LYS80C, MET125D, MET284D, PHE109C, PHE124D, PHE204C, PHE264D, PHE28D, PHE309C, PHE33D, PHE73C, PRO147D, PRO160D, PRO202C, PRO278D, PRO43D, PRO50C, PRO50D, PRO52C, SER112C, SER117D, SER123D, SER129D, SER130D, SER133D, SER150D, SER213C, SER215C, SER216C, SER262C, SER262D, SER274D, SER35D, SER49C, SER51C, SER77C, THR137C, THR156D, THR161D, THR207C, THR301C, THR301D, THR32D, THR54C, THR57C, THR58C, THR89D, TRP263D, TYR128D, TYR214C, TYR261C, TYR261D, TYR273D, TYR285D, TYR294C, TYR294D, TYR307C, VAL103D, VAL154D, VAL247C, VAL265D, VAL288C, VAL288D, VAL67D, VAL74C, VAL84D
• C-E: GLN293E, ILE297C, ILE297E, TYR294C, TYR294E
• C-G: ALA1033G, ALA1185G, ALA1200G, ALA1206G, ALA1207G, ALA1219G, ALA1222G, ALA127C, ALA92C, ALA94C, ALA95C, ARG100C, ARG1032G, ARG85C, ASN1035G, ASN1104G, ASN1183G, ASN1186G, ASN131C, ASN90C, ASP1096G, ASP1136G, ASP1223G, ASP70C, ASP98C, CYS132C, GLN1204G, GLU1221G, GLY1036G, GLY1202G, GLY1205G, GLY86C, GLY99C, HIS120C, HIS1226G, ILE104C, ILE1107G, ILE1181G, ILE1182G, LEU1198G, LEU1220G, LEU88C, LYS102C, LYS1154G, LYS1188G, LYS1201G, LYS1203G, LYS7C, MET71C, MET72C, PHE1109G, PHE124C, PHE73C, PHE83C, PHE91C, PHE97C, PRO1110G, PRO87C, SER1098G, SER1224G, SER130C, SER93C, SER96C, THR1037G, THR1038G, THR1137G, THR89C, TRP1199G, TYR128C, VAL1034G, VAL1101G, VAL1155G, VAL1217G, VAL1218G, VAL74C
• D-E: ALA115E, ALA127E, ALA138D, ALA269E, ALA298D, ALA298E, ALA299D, ALA306D, ARG111D, ARG119E, ARG122E, ARG151E, ARG153E, ARG16D, ARG205D, ARG251D, ARG283E, ARG85E, ASN131E, ASN139D, ASN140D, ASN140E, ASN200D, ASN291D, ASN291E, ASN292D, ASN292E, ASN300D, ASN75D, ASP107D, ASP110D, ASP142E, ASP203D, ASP212D, ASP246D, ASP260E, ASP78D, ASP82E, CYS132E, CYS152E, CYS314D, CYS79D, GLN101E, GLN118E, GLN13D, GLN149E, GLN159E, GLN293D, GLN293E, GLN311D, GLU108D, GLU116E, GLU126E, GLU12D, GLU183D, GLU210D, GLU270E, GLU271E, GLU286E, GLU290D, GLU290E, GLU302D, GLU315D, GLU31E, GLU6D, GLU8D, GLY113D, GLY209D, GLY218D, GLY266E, GLY289D, GLY289E, GLY296D, GLY296E, GLY40E, GLY53D, GLY76D, HIS120E, HIS295D, HIS295E, HIS304D, HIS304E, HIS44E, HIS9D, ILE106D, ILE10D, ILE134E, ILE145E, ILE155E, ILE185D, ILE224D, ILE281E, ILE282E, ILE287D, ILE287E, ILE297D, ILE297E, ILE310D, ILE36E, ILE42E, ILE45E, ILE46E, ILE81E, LEU114D, LEU11D, LEU121E, LEU148E, LEU211D, LEU227D, LEU250D, LEU268E, LEU303D, LEU305D, LEU308D, LEU308E, LYS102E, LYS146E, LYS14D, LYS206D, LYS217D, LYS248D, LYS256D, LYS267E, LYS34E, LYS39E, LYS41E, LYS56D, LYS61D, LYS7D, LYS80D, MET125E, MET284E, PHE109D, PHE124E, PHE204D, PHE264E, PHE28E, PHE309D, PHE33E, PHE73D, PRO147E, PRO202D, PRO255D, PRO43E, PRO50D, PRO52D, SER112D, SER117E, SER123E, SER129E, SER130E, SER133E, SER150E, SER213D, SER215D, SER216D, SER262E, SER274E, SER35E, SER38E, SER49D, SER51D, SER77D, THR137D, THR207D, THR301D, THR301E, THR32E, THR54D, THR57D, THR58D, THR89E, TRP263E, TYR128E, TYR214D, TYR261D, TYR261E, TYR273E, TYR285E, TYR294D, TYR294E, TYR307D, VAL103E, VAL105D, VAL154E, VAL247D, VAL265E, VAL288E, VAL67E, VAL74D, VAL84E
• D-A: ILE297D, LEU84A
• D-G: ALA1053G, ALA1094G, ALA1095G, ALA127D, ALA92D, ALA94D, ALA95D, ARG100D, ARG85D, ASN1080G, ASN131D, ASN90D, ASP1051G, ASP1056G, ASP1078G, ASP1096G, ASP70D, ASP98D, GLN1075G, GLU1077G, GLY1079G, GLY86D, GLY99D, ILE1081G, LYS102D, PHE1050G, PHE91D, PHE97D, PRO1093G, PRO1097G, PRO87D, SER1076G, SER1098G, SER130D, SER93D, SER96D, THR1099G, THR89D, TRP1092G, TYR1055G, TYR128D, VAL1052G, VAL1100G
• D-H: ALA2159H, ALA2222H, ALA69D, ALA92D, ALA94D, ARG100D, ARG2162H, ASN2153H, ASN2179H, ASN75D, ASN90D, ASP2157H, ASP2223H, ASP70D, ASP98D, GLN2134H, GLU2156H, GLU6D, GLU8D, GLY86D, HIS2226H, HIS9D, ILE104D, LEU88D, LYS102D, LYS2154H, LYS2164H, LYS2203H, LYS61D, LYS7D, MET71D, MET72D, PHE73D, PHE83D, PHE91D, PHE97D, PRO87D, SER2158H, SER2224H, SER96D, THR2161H, THR2225H, THR89D, VAL103D, VAL2155H, VAL2163H, VAL74D
• E-A: ALA128A, ALA138A, ALA259E, ALA298E, ALA299E, ALA306E, ALA68A, ALA78A, ALA81A, ARG111E, ARG130A, ARG16E, ARG205E, ARG251E, ASN134A, ASN136A, ASN139E, ASN140A, ASN148A, ASN291E, ASN300E, ASN5E, ASN67A, ASN75E, ASN83A, ASP107E, ASP110E, ASP137A, ASP203E, ASP212E, ASP78E, CYS314E, CYS75A, GLN132A, GLN13E, GLN293E, GLN311E, GLN71A, GLU108E, GLU12E, GLU157A, GLU169A, GLU210E, GLU290E, GLU302E, GLU66A, GLU74A, GLU8E, GLY149A, GLY209E, GLY296E, GLY53E, GLY55E, GLY76E, GLY86A, GLY88A, HIS295E, HIS304E, HIS94A, HIS9E, ILE10E, ILE124A, ILE144A, ILE208E, ILE297E, ILE310E, ILE85A, LEU11E, LEU127A, LEU145A, LEU151A, LEU153A, LEU158A, LEU211E, LEU303E, LEU305E, LEU308E, LEU69A, LEU84A, LEU98A, LYS125A, LYS129A, LYS142A, LYS147A, LYS14E, LYS206E, LYS248E, LYS56E, LYS61E, LYS62A, LYS7E, LYS80E, MET71E, MET72E, MET76A, MET82A, PHE166A, PHE309E, PHE63A, PHE72A, PHE73E, PHE83E, PRO255E, PRO52E, PRO73A, PRO77A, SER143A, SER213E, SER70A, SER77E, SER87A, THR135A, THR137E, THR301E, THR57E, THR58E, TYR131A, TYR141A, TYR294E, TYR307E, TYR80A, VAL105E, VAL133A, VAL154A, VAL247E, VAL65A, VAL74E, VAL79A
• E-H: ALA127E, ALA2033H, ALA2185H, ALA2200H, ALA2206H, ALA2207H, ALA2219H, ALA2222H, ALA92E, ALA94E, ALA95E, ARG100E, ARG2032H, ASN131E, ASN2035H, ASN2104H, ASN2183H, ASN2186H, ASN68E, ASN90E, ASP2223H, ASP70E, ASP98E, CYS132E, GLN101E, GLN2204H, GLU2221H, GLY2036H, GLY2202H, GLY2205H, GLY86E, GLY99E, ILE2107H, ILE2181H, ILE2182H, LEU2220H, LYS102E, LYS2154H, LYS2201H, LYS2203H, LYS2208H, LYS41E, MET72E, PHE2109H, PHE91E, PHE97E, PRO2108H, PRO2110H, PRO87E, SER129E, SER130E, SER2224H, SER93E, SER96E, THR2037H, THR2137H, THR89E, TRP2199H, TYR128E, TYR2039H, VAL2034H, VAL2217H, VAL2218H
• A-H: ALA2095H, ARG130A, ASP164A, ASP165A, ASP2056H, ASP2096H, GLU157A, GLY160A, LEU158A, LEU161A, LEU167A, LYS129A, LYS156A, LYS159A, LYS168A, PHE166A, PRO2097H, SER2019H, SER2098H, THR163A, THR2099H, TYR2055H, VAL162A, VAL2100H
• A-F: ALA16A, ALA3015F, ALA3033F, ALA3040F, ALA3102F, ALA3185F, ALA3206F, ALA3207F, ALA3219F, ARG3032F, ARG3162F, ASN11A, ASN3018F, ASN3035F, ASN3104F, ASN3153F, ASN3186F, ASP164A, ASP21A, ASP3056F, ASP3157F, ASP6A, ASP7A, GLN14A, GLN177A, GLN3134F, GLN3204F, GLN9A, GLU3041F, GLU3156F, GLY3020F, GLY3036F, GLY3205F, HIS13A, ILE3017F, ILE3107F, ILE8A, LEU10A, LEU180A, LEU3057F, LEU3220F, LEU3A, LYS178A, LYS181A, LYS20A, LYS3105F, LYS3154F, LYS3188F, LYS3201F, LYS3203F, LYS3208F, LYS5A, PHE3109F, PHE4A, PRO3103F, PRO3106F, PRO3110F, SER19A, SER2A, SER3019F, SER3098F, SER3158F, THR3031F, THR3037F, THR3038F, THR3099F, TRP17A, TRP22A, TRP3199F, TYR18A, TYR3039F, TYR3055F, TYR3216F, VAL15A, VAL174A, VAL3034F, VAL3100F, VAL3101F, VAL3155F, VAL3217F, VAL3218F
• G-H: ALA1071G, ALA1086G, ARG1087G, ARG2128H, ARG2131H, ARG2162H, ASN1068G, ASN1080G, ASN2150H, ASP1056G, ASP1078G, ASP1085G, ASP2122H, GLN2124H, GLN2125H, GLN2134H, GLU1077G, GLU2121H, GLU2156H, GLY1059G, GLY1062G, GLY2132H, GLY2151H, ILE1063G, ILE1081G, ILE1083G, ILE1090G, ILE2135H, ILE2149H, LEU1064G, LEU1066G, LEU2126H, LEU2127H, LEU2133H, LEU2167H, LEU2169H, LYS1082G, LYS2119H, LYS2143H, LYS2164H, PHE1060G, PHE1091G, PRO1093G, SER1065G, SER1088G, SER2130H, SER2166H, THR1089G, THR2168H, TRP1092G, TYR1055G, TYR2165H, VAL1067G, VAL2129H, VAL2163H
• G-F: ALA1120G, ALA3071F, ALA3084F, ALA3086F, ARG1128G, ARG1131G, ARG1162G, ARG3087F, ASN1150G, ASN3068F, ASN3080F, ASP1122G, ASP3056F, ASP3078F, ASP3085F, GLN1124G, GLN1125G, GLN1134G, GLU1121G, GLY1132G, GLY1151G, GLY1170G, GLY3059F, GLY3062F, ILE1118G, ILE1135G, ILE1149G, ILE3063F, ILE3083F, ILE3090F, LEU1123G, LEU1126G, LEU1127G, LEU1133G, LEU1167G, LEU1169G, LEU3064F, LEU3066F, LYS1119G, LYS1164G, PHE3060F, PHE3091F, PRO3093F, SER1130G, SER1166G, SER3065F, SER3088F, THR1168G, THR3089F, TRP3092F, TYR1165G, VAL1129G, VAL1148G, VAL1163G, VAL3067F
• H-F: ALA2071H, ALA2084H, ALA2086H, ARG2087H, ARG3128F, ARG3131F, ARG3162F, ASN2068H, ASN2080H, ASN3150F, ASP2056H, ASP2078H, ASP2085H, ASP3122F, GLN3124F, GLN3125F, GLN3134F, GLU2077H, GLU3121F, GLY2059H, GLY2062H, GLY3132F, GLY3151F, GLY3170F, ILE2063H, ILE2083H, ILE2090H, ILE3118F, ILE3135F, ILE3147F, ILE3149F, LEU2064H, LEU2066H, LEU3126F, LEU3127F, LEU3133F, LEU3167F, LEU3169F, LYS2082H, LYS3119F, LYS3143F, LYS3146F, LYS3164F, PHE2060H, PHE2091H, PRO2093H, SER2065H, SER2088H, SER3130F, SER3166F, THR2089H, THR3168F, TRP2092H, TYR3165F, VAL2067H, VAL3129F, VAL3148F, VAL3163F