2P59

crystal structure of hepatitis c virus ns3.4a protease

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 106
  • Norm. En. per Res.: -5.5149
• Hub Node: A(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	-19.4872	0.4478	-107.133	-126.1723	58	1	5	4467	0	5	7
A-C	-113.6548	-4.799	-253.203	-371.6568	80	18	19	10423	0	4	4
A-D	0.0	0.0	-30.2793	-30.2793	30	0	3	1546	0	2	1
B-C	0.0	0.0	-55.0127	-55.0127	19	4	0	1734	0	3	1
B-D	-160.1166	-6.8025	-417.663	-584.5821	106	24	21	16238	1	6	7
C-D	-34.2874	0.0	-84.5283	-118.8157	23	4	4	3133	0	0	2

Interface residues

• A-B: ALA1027B, ALA1031B, ALA1033B, ALA1137B, ALA1173B, ALA173A, ARG1143B, ARG1156B, ARG118A, ASP1129B, ASP1138B, ASP129A, CYS1171B, CYS123A, CYS125A, CYS171A, GLN1034B, GLU58A, GLY1174B, GLY126A, GLY174A, HIS1136B, HIS175A, ILE1029B, ILE1140B, ILE140A, LEU1130B, LEU1132B, LEU1153B, LEU1170B, LEU120A, LEU130A, LEU132A, LEU169A, LEU170A, PRO1028B, PRO1141B, PRO1155B, PRO1172B, PRO122A, PRO141A, PRO168A, PRO172A, SER1154B, SER127A, THR1030B, THR121A, THR124A, TYR1032B, TYR1131B, TYR1160B, TYR131A, VAL1139B, VAL1142B, VAL133A, VAL139A, VAL142A, VAL55A
• A-C: ALA113A, ALA137A, ALA176A, ALA36C, ALA65A, ALA71A, ALA85A, ALA91A, ARG118A, ARG135A, ARG28C, ARG88A, ASP138A, CYS73A, CYS78A, GLN115A, GLN60A, GLN67A, GLN99A, GLU56A, GLU58A, GLY116A, GLY167A, GLY174A, GLY21C, GLY27C, GLY33C, GLY57A, GLY84A, GLY86A, GLY95A, HIS136A, HIS175A, ILE25C, ILE29C, ILE61A, ILE74A, ILE90A, LEU120A, LEU170A, LEU31C, LEU70A, LYS34C, PHE69A, PRO112A, PRO114A, PRO168A, PRO35C, PRO93A, PRO96A, SER117A, SER119A, SER164A, SER22C, SER32C, SER63A, SER92A, THR121A, THR134A, THR64A, THR66A, THR68A, THR72A, THR80A, THR87A, THR89A, TRP111A, TYR131A, VAL109A, VAL133A, VAL139A, VAL23C, VAL24C, VAL26C, VAL30C, VAL55A, VAL59A, VAL62A, VAL81A, VAL97A
• A-D: ALA137A, ALA36D, ARG118A, ARG135A, ASP138A, GLN60A, GLU56A, GLU58A, GLY116A, GLY174A, GLY57A, HIS136A, ILE140A, ILE37D, ILE38D, ILE61A, LEU132A, LEU170A, LEU70A, LYS34D, PRO168A, PRO35D, PRO39D, SER117A, THR134A, TYR131A, VAL133A, VAL139A, VAL55A, VAL59A
• B-C: ALA1031B, ALA1033B, ALA1137B, ALA36C, GLN1034B, GLN1035B, GLU1056B, GLY33C, HIS1136B, ILE1029B, LEU31C, LYS34C, PRO1028B, PRO35C, SER32C, THR1030B, TYR1032B, VAL1139B, VAL30C
• B-D: ALA1027B, ALA1031B, ALA1033B, ALA1065B, ALA1071B, ALA1085B, ALA1091B, ALA1113B, ALA1137B, ALA1176B, ARG1037B, ARG1050B, ARG1088B, ARG1118B, ARG1135B, ARG28D, ASN1053B, ASP1051B, ASP1138B, CYS1042B, CYS1073B, CYS1078B, GLN1034B, GLN1035B, GLN1054B, GLN1060B, GLN1067B, GLN1099B, GLU1056B, GLU1058B, GLY1038B, GLY1041B, GLY1049B, GLY1057B, GLY1084B, GLY1086B, GLY1095B, GLY1116B, GLY1163B, GLY1167B, GLY1174B, GLY21D, GLY27D, GLY33D, HIS1136B, HIS1175B, ILE1029B, ILE1043B, ILE1044B, ILE1061B, ILE1090B, ILE25D, ILE29D, LEU1039B, LEU1047B, LEU1070B, LEU1120B, LEU1132B, LEU1169B, LEU1170B, LEU31D, LYS1052B, LYS20D, LYS34D, PHE1069B, PRO1028B, PRO1093B, PRO1096B, PRO1114B, PRO1168B, PRO35D, SER1046B, SER1063B, SER1092B, SER1117B, SER1119B, SER1164B, SER22D, SER32D, THR1030B, THR1036B, THR1045B, THR1048B, THR1064B, THR1066B, THR1068B, THR1072B, THR1080B, THR1087B, THR1089B, THR1134B, TRP1111B, TYR1032B, TYR1082B, VAL1055B, VAL1059B, VAL1062B, VAL1081B, VAL1097B, VAL1109B, VAL1133B, VAL1139B, VAL23D, VAL24D, VAL26D, VAL30D
• C-D: ALA36C, ALA36D, ALA40D, ARG28C, ARG28D, GLY27C, GLY33C, GLY33D, ILE29C, ILE37D, ILE38D, LEU31C, LEU31D, LYS34C, LYS34D, PRO35C, PRO35D, PRO39D, SER32C, SER32D, VAL26C, VAL30C, VAL30D