3RMY

crystal structure of hcr/d w1238a mutant

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 66
  • Norm. En. per Res.: -2.194
• 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	-14.5012	-9.3221	-168.17	-191.9932	107	11	1	8530	1	22	22
A-D	-4.5716	-3.6986	-53.6539	-61.9241	46	2	0	3135	0	10	6
B-C	-13.2946	-2.6374	-128.873	-144.805	66	5	2	5280	0	13	9
B-D	0.0	0.0	-0.0092	-0.0092	4	0	0	2	0	1	1
C-D	-27.1141	-5.2739	-134.333	-166.721	83	5	0	5723	0	22	25

Interface residues

• A-B: ALA1177A, ALA1232A, ALA1245A, ALA1250A, ARG1109A, ARG1126A, ARG1148B, ARG1164B, ARG1270B, ASN1091B, ASN1103A, ASN1105A, ASN1144B, ASN1162B, ASN1186A, ASN1196B, ASN1199B, ASN1244A, ASN1253A, ASN874B, ASN877B, ASN898B, ASP1096B, ASP1104A, ASP1108A, ASP1142B, ASP1233A, ASP1271B, CYS1183A, CYS1187A, GLN1122A, GLN1185A, GLN896B, GLU1051B, GLU1098B, GLU1255A, GLU1276B, GLY1198B, HIS1158B, HIS995A, ILE1102A, ILE1107A, ILE1156B, ILE1175A, ILE1234A, ILE900B, LEU1160B, LEU1197B, LEU1231A, LEU1258A, LEU1259A, LEU897B, LYS1094B, LYS1138B, LYS1143B, LYS1165B, LYS1215A, LYS1236A, LYS1243A, LYS1257A, LYS1266A, LYS906B, MET1054B, MET1159B, MET1167B, PHE1095B, PHE1264A, PRO1134B, PRO1145B, PRO1272B, SER1139B, SER1141B, SER1147B, SER1163B, SER1184A, SER1195B, SER1260A, SER1262A, SER1263A, SER1269B, THR1097B, THR1136B, THR1174A, THR1252A, THR1256A, THR1261A, THR899B, THR902B, THR996A, TRP1056B, TRP1274B, TYR1099B, TYR1100B, TYR1106A, TYR1130B, TYR1146B, TYR1161B, TYR1166B, TYR1176A, TYR1189A, TYR1200B, TYR1235A, TYR1246A, VAL1188A, VAL1249A, VAL1251A, VAL1275B
• A-D: ALA878D, ALA887D, ARG1170A, ARG1225A, ASN1196A, ASN1199A, ASN877D, ASN886D, ASN919D, ASN920D, ASN921D, ASP1171A, ASP1173A, ASP881D, CYS1183A, CYS1187A, GLN1194A, GLN873D, GLU1226A, GLU888D, GLY1198A, GLY1201A, GLY1203A, GLY884D, ILE1169A, ILE1202A, ILE1204A, LEU1197A, LEU872D, LEU879D, LYS875D, LYS876D, MET1167A, PHE1224A, SER1184A, SER871D, SER883D, THR1172A, THR1174A, THR882D, TYR1189A, TYR1200A, TYR885D, VAL1140A, VAL880D, VAL889D
• B-C: ALA887B, ARG1225C, ASN1144C, ASN1151C, ASN1154C, ASN1186C, ASN1196C, ASN1199C, ASN1227C, ASN1253C, ASN862B, ASN865B, ASN886B, ASN919B, ASN920B, ASN921B, ASP1142C, ASP1153C, ASP866B, ASP881B, GLN1185C, GLN1194C, GLN873B, GLU1226C, GLU1255C, GLY1152C, GLY1198C, GLY1201C, GLY1203C, GLY884B, ILE1155C, ILE1156C, ILE1202C, ILE1204C, ILE1207C, ILE869B, LEU1150C, LEU918B, LYS1039B, LYS1143C, LYS1208C, LYS868B, LYS875B, LYS876B, PHE1205C, PHE1221C, PHE1224C, SER1064B, SER1139C, SER1141C, SER1184C, SER1206C, SER1222C, SER1223C, SER863B, SER867B, SER871B, SER883B, THR1172C, THR1252C, THR882B, TYR1200C, TYR1254C, TYR885B, VAL1140C, VAL880B
• B-D: ASN877B, ASN877D, ASP893B, ASP893D
• C-D: ALA1232C, ALA1245C, ARG1109C, ARG1126C, ARG1164D, ARG1270D, ASN1103C, ASN1105C, ASN1144D, ASN1162D, ASN1186C, ASN1199D, ASN1244C, ASN1253C, ASP1096D, ASP1104C, ASP1108C, ASP1125D, ASP1142D, ASP1233C, ASP1271D, CYS1187C, GLN1122C, GLN1185C, GLN896D, GLU1022C, GLU1051D, GLU1098D, GLU1255C, GLU1276D, GLY1198D, HIS1158D, ILE1107C, ILE1156D, ILE1234C, LEU1120C, LEU1160D, LEU1197D, LEU1231C, LEU1258C, LEU1259C, LYS1024C, LYS1094D, LYS1128D, LYS1138D, LYS1165D, LYS1213C, LYS1215C, LYS1236C, LYS1243C, LYS1257C, PHE1095D, PHE1264C, PRO1134D, PRO1145D, PRO1272D, SER1163D, SER1195D, SER1260C, SER1262C, SER1263C, THR1097D, THR1136D, THR1256C, THR1261C, THR899D, TRP1274D, TYR1100D, TYR1106C, TYR1123C, TYR1130D, TYR1146D, TYR1161D, TYR1166D, TYR1176C, TYR1235C, TYR1246C, TYR1254C, VAL1121C, VAL1188C, VAL1211C, VAL1251C, VAL1275D