3F7P

crystal structure of a complex between integrin beta4 and plectin

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 99
  • Norm. En. per Res.: -4.1278
• 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	0.0	0.0	-0.4866	-0.4866	2	0	0	39	0	0	0
A-C	-76.2011	-89.18	-268.021	-433.4022	107	23	7	11442	8	44	30
A-E	-15.7867	8.8575	-114.695	-121.6242	83	11	3	6355	0	23	30
B-D	-62.1626	-74.5935	-271.898	-408.6541	99	36	7	11741	6	38	32
C-D	-59.7222	-159.4043	-336.24	-555.3665	153	23	0	13902	19	69	72
C-E	-42.8625	10.939	-117.3	-149.2235	47	4	6	4616	2	18	17
D-E	0.0	6.7535	-9.527	-2.7736	10	0	0	378	1	5	2

Interface residues

• A-B: PHE124A, PHE124B
• A-C: ALA1227C, ALA1241C, ALA1244C, ALA153A, ALA64A, ARG121A, ARG1225C, ARG123A, ARG1281C, ARG1310C, ARG148A, ARG62A, ARG67A, ARG69A, ARG98A, ASN1229C, ASN1277C, ASN1280C, ASN1287C, ASN146A, ASN149A, ASN156A, ASP1166C, ASP150A, ASP151A, ASP154A, ASP65A, ASP68A, ASP92A, CYS1190C, GLN1164C, GLN1237C, GLN71A, GLU1170C, GLU1222C, GLU1242C, GLU1245C, GLU1286C, GLU275A, GLU66A, GLU95A, GLY1165C, GLY1224C, GLY155A, GLY162A, HIS125A, ILE1163C, ILE1250C, ILE1285C, ILE1326C, ILE1328C, ILE1329C, ILE147A, ILE152A, ILE61A, ILE63A, LEU1226C, LEU1238C, LEU1274C, LEU127A, LEU1283C, LEU1284C, LEU1288C, LEU159A, LEU161A, LEU163A, LEU93A, LYS126A, LYS1271C, LYS1272C, LYS1279C, LYS158A, LYS276A, LYS72A, MET122A, MET1282C, PHE1228C, PRO1223C, PRO1243C, PRO1278C, PRO1327C, PRO1330C, PRO157A, SER1167C, SER1221C, SER1239C, SER1325C, SER91A, THR1234C, THR1236C, THR1246C, THR160A, TRP1240C, TRP165A, TYR1187C, TYR1192C, TYR1253C, TYR1257C, TYR1296C, TYR94A, VAL1231C, VAL1235C, VAL1255C, VAL1273C, VAL1275C, VAL145A, VAL60A
• A-E: ALA1135E, ALA1137E, ALA1252E, ALA1304E, ALA64A, ARG1214E, ARG1301E, ARG215A, ARG218A, ARG239A, ARG62A, ARG69A, ASN1132E, ASN1134E, ASN1277E, ASN1302E, ASN235A, ASN242A, ASN245A, ASP1191E, ASP1276E, ASP1344E, ASP216A, ASP269A, ASP65A, CYS1190E, CYS1213E, GLN1131E, GLN1164E, GLN1217E, GLN203A, GLN240A, GLU1193E, GLU1249E, GLU1254E, GLU244A, GLU266A, GLU66A, GLY1139E, GLY1303E, GLY1305E, GLY204A, HIS1216E, ILE1143E, ILE61A, ILE63A, LEU1148E, LEU1210E, LEU1274E, LEU1347E, LEU243A, LEU246A, LYS1136E, LYS1195E, LYS1272E, LYS1299E, LYS236A, MET1194E, MET1348E, PHE1145E, PHE1346E, PRO1133E, PRO1278E, PRO265A, PRO271A, SER1208E, SER1209E, SER1212E, SER1345E, THR1215E, THR1251E, THR241A, TRP1306E, TYR1189E, TYR1192E, TYR1253E, TYR238A, VAL1211E, VAL1273E, VAL1275E, VAL237A, VAL270A, VAL60A
• B-D: ALA1227D, ALA1241D, ALA1244D, ALA153B, ARG121B, ARG1225D, ARG123B, ARG1281D, ARG1310D, ARG138B, ARG148B, ARG62B, ARG67B, ARG69B, ARG98B, ASN1229D, ASN1277D, ASN1280D, ASN1287D, ASN146B, ASN149B, ASN156B, ASP1166D, ASP1276D, ASP150B, ASP151B, ASP154B, ASP65B, ASP68B, ASP92B, ASP96B, CYS1190D, CYS1256D, GLN1164D, GLN1237D, GLN71B, GLU1170D, GLU1242D, GLU1245D, GLU1286D, GLU66B, GLU95B, GLY1165D, GLY1224D, GLY155B, GLY162B, ILE1163D, ILE1250D, ILE1285D, ILE1328D, ILE1329D, ILE147B, ILE152B, ILE61B, ILE63B, LEU1226D, LEU1238D, LEU1274D, LEU127B, LEU1283D, LEU1284D, LEU1288D, LEU159B, LEU161B, LEU93B, LEU97B, LYS126B, LYS1271D, LYS1272D, LYS1279D, LYS158B, LYS276B, LYS72B, MET122B, MET1282D, PHE1228D, PRO1223D, PRO1243D, PRO1278D, PRO1330D, PRO157B, SER1167D, SER1239D, THR1236D, THR1246D, THR160B, TRP1240D, TYR1187D, TYR1253D, TYR1257D, TYR1296D, TYR94B, VAL1231D, VAL1235D, VAL1255D, VAL1273D, VAL1275D, VAL145B, VAL60B
• C-D: ALA1171C, ALA1171D, ALA1198C, ALA1198D, ALA1201C, ALA1201D, ALA1304C, ALA1304D, ALA1312C, ALA1312D, ARG1141C, ARG1141D, ARG1158C, ARG1158D, ARG1265C, ARG1265D, ARG1295C, ARG1295D, ARG1310C, ARG1310D, ASN1185C, ASN1185D, ASN1247C, ASN1247D, ASN1264C, ASN1264D, ASN1302C, ASN1302D, ASP1126D, ASP1175C, ASP1175D, CYS1197C, CYS1197D, CYS1256C, CYS1256D, GLN1202C, GLN1202D, GLN1217C, GLN1217D, GLU1170C, GLU1170D, GLU1182C, GLU1182D, GLU1204C, GLU1204D, GLU1218C, GLU1218D, GLU1222C, GLU1222D, GLU1245C, GLU1245D, GLU1254C, GLU1254D, GLU1309C, GLU1309D, GLU1311C, GLU1311D, GLY1128D, GLY1139C, GLY1139D, GLY1156C, GLY1156D, GLY1200C, GLY1200D, GLY1203C, GLY1203D, GLY1205C, GLY1205D, GLY1258D, GLY1268C, GLY1268D, GLY1307C, GLY1307D, HIS1172C, HIS1172D, ILE1267C, ILE1267D, ILE1313C, ILE1313D, LEU1127C, LEU1127D, LEU1173C, LEU1173D, LEU1174C, LEU1174D, LEU1183C, LEU1183D, LEU1186C, LEU1186D, LEU1259C, LEU1259D, LYS1142C, LYS1142D, LYS1160C, LYS1160D, LYS1177C, LYS1177D, LYS1272C, LYS1272D, LYS1299C, LYS1299D, MET1155C, MET1155D, MET1270C, MET1270D, PRO1188C, PRO1188D, PRO1206C, PRO1206D, PRO1220C, PRO1220D, PRO1266C, PRO1266D, PRO1269C, PRO1269D, PRO1308C, PRO1308D, SER1140C, SER1140D, SER1169C, SER1169D, SER1176C, SER1176D, SER1221C, SER1221D, THR1184C, THR1184D, THR1246C, THR1246D, THR1297C, THR1297D, TRP1306C, TRP1306D, TYR1157C, TYR1157D, TYR1161C, TYR1161D, TYR1187C, TYR1187D, TYR1199C, TYR1199D, TYR1207C, TYR1207D, TYR1296C, TYR1296D, VAL1159C, VAL1159D, VAL1219C, VAL1219D, VAL1260C, VAL1260D, VAL1298C, VAL1298D
• C-E: ALA1252C, ARG1301C, ARG1301E, ASN1277C, ASN1280C, ASP1276C, ASP1276E, ASP1336E, ASP1342E, ASP1344E, CYS1256C, GLU1254C, GLU1286C, GLU1309C, GLU1341E, GLY1340E, ILE1334E, LEU1274C, LEU1274E, LEU1283C, LEU1284C, LEU1347E, LYS1271C, LYS1271E, LYS1272C, LYS1272E, LYS1299C, MET1270C, MET1282C, MET1348E, PHE1346E, PRO1269C, PRO1278C, PRO1333E, SER1339E, SER1345E, TRP1240C, TRP1306C, TRP1306E, TYR1253C, TYR1257C, TYR1343E, VAL1255C, VAL1273C, VAL1273E, VAL1275C, VAL1335E
• D-E: ASP1175D, ASP1342E, GLU1341E, GLY1340E, LYS1177D, MET1155D, SER1176D, SER1339E, TYR1199D, TYR1343E