2VG6

crystal structures of hiv-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 246
  • Norm. En. per Res.: -2.6688
• Hub Node: A(1)

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	-91.84	-26.8846	-537.789	-656.5137	246	69	3	26463	3	50	46

Interface residues

• A-B: ALA1129B, ALA1288B, ALA158A, ALA371A, ALA408A, ALA437A, ALA502A, ALA508A, ALA534A, ALA538A, ALA98A, ARG1143B, ARG1277B, ARG358A, ARG463A, ASN1054B, ASN1057B, ASN1136B, ASN1137B, ASN1255B, ASN1265B, ASN1363B, ASN1418B, ASN460A, ASN494A, ASN545A, ASP1017B, ASP121A, ASP1256B, ASP1364B, ASP498A, ASP86A, CYS1280B, GLN1023B, GLN1258B, GLN1330B, GLN1332B, GLN1334B, GLN1367B, GLN1394B, GLN161A, GLN182A, GLN367A, GLN373A, GLN407A, GLN500A, GLN507A, GLN547A, GLN85A, GLN91A, GLU1028B, GLU1029B, GLU1053B, GLU1138B, GLU1291B, GLU1396B, GLU1399B, GLU1404B, GLU169A, GLU370A, GLU378A, GLU404A, GLU413A, GLU432A, GLU438A, GLU546A, GLU89A, GLY1051B, GLY1141B, GLY1262B, GLY1333B, GLY1335B, GLY155A, GLY384A, GLY436A, GLY462A, GLY504A, GLY541A, GLY543A, GLY544A, GLY93A, GLY99A, HIS1361B, HIS96A, ILE1031B, ILE1050B, ILE1132B, ILE1135B, ILE1142B, ILE1257B, ILE1274B, ILE1329B, ILE1393B, ILE159A, ILE178A, ILE180A, ILE380A, ILE382A, ILE411A, ILE434A, ILE495A, ILE505A, ILE542A, ILE94A, LEU100A, LEU1026B, LEU1260B, LEU1264B, LEU1279B, LEU1282B, LEU1289B, LEU1368B, LEU1391B, LEU1422B, LEU1425B, LEU168A, LEU503A, LEU533A, LEU92A, LYS101A, LYS1020B, LYS1022B, LYS1030B, LYS1032B, LYS1049B, LYS1126B, LYS11A, LYS1259B, LYS1263B, LYS1275B, LYS1281B, LYS1287B, LYS1331B, LYS1366B, LYS1395B, LYS13A, LYS1424B, LYS154A, LYS166A, LYS172A, LYS366A, LYS374A, LYS385A, LYS431A, LYS461A, LYS540A, MET164A, PHE1130B, PHE1346B, PHE1416B, PHE160A, PHE389A, PHE440A, PHE87A, PRO1025B, PRO1052B, PRO1055B, PRO1133B, PRO1140B, PRO1392B, PRO1420B, PRO1421B, PRO14A, PRO157A, PRO321A, PRO387A, PRO412A, PRO433A, PRO537A, PRO95A, PRO97A, PRO9A, SER1134B, SER1268B, SER162A, SER163A, SER379A, SER499A, THR1027B, THR1058B, THR1131B, THR1139B, THR1253B, THR1286B, THR1290B, THR1362B, THR1369B, THR1397B, THR1400B, THR1419B, THR165A, THR369A, THR376A, THR377A, THR386A, THR403A, THR409A, THR439A, THR459A, THR497A, THR7A, TRP1024B, TRP1266B, TRP1337B, TRP1398B, TRP1401B, TRP1402B, TRP1426B, TRP229A, TRP383A, TRP398A, TRP401A, TRP402A, TRP406A, TRP410A, TRP535A, TRP88A, TYR1056B, TYR1405B, TYR181A, TYR319A, TYR354A, TYR405A, TYR441A, TYR501A, TYR532A, VAL1021B, VAL10A, VAL1254B, VAL1261B, VAL1276B, VAL1292B, VAL1365B, VAL1417B, VAL1423B, VAL179A, VAL372A, VAL381A, VAL435A, VAL458A, VAL493A, VAL496A, VAL536A, VAL548A, VAL8A, VAL90A