1QS4

core domain of hiv-1 integrase complexed with mg++ and 1-(5- chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 136
  • Norm. En. per Res.: -2.9833
• 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	-20.3049	-34.3596	-351.067	-405.7314	136	15	10	14544	7	22	39
B-C	0.0	-3.3849	-144.277	-147.6619	63	20	0	6166	0	16	12

Interface residues

• A-B: ALA105A, ALA105B, ALA128A, ALA129A, ALA129B, ALA169A, ALA169B, ALA175A, ALA175B, ALA179A, ALA179B, ALA205A, ALA205B, ALA86A, ALA86B, ALA98A, ALA98B, ARG107A, ARG107B, ARG187A, ARG187B, ARG199A, ARG199B, ASN184A, ASN184B, ASP202A, ASP202B, ASP207A, ASP207B, GLN168A, GLN168B, GLN177A, GLN177B, GLN209A, GLN209B, GLN95A, GLN95B, GLU170A, GLU170B, GLU198A, GLU198B, GLU85A, GLU85B, GLU87A, GLU87B, GLU96A, GLU96B, GLY106A, GLY106B, GLY133A, GLY133B, GLY134A, GLY134B, GLY192A, GLY193A, GLY193B, GLY197A, GLY197B, HIS171A, HIS171B, HIS183A, HIS183B, ILE135A, ILE135B, ILE161A, ILE161B, ILE182A, ILE182B, ILE200A, ILE200B, ILE203A, ILE203B, ILE204A, ILE204B, ILE208A, ILE208B, ILE84A, ILE84B, ILE89A, ILE89B, LEU101A, LEU101B, LEU102A, LEU102B, LEU104A, LEU104B, LEU172A, LEU172B, LYS103A, LYS103B, LYS111A, LYS111B, LYS173A, LYS173B, LYS185A, LYS185B, MET178A, MET178B, PHE100A, PHE100B, PHE181A, PHE181B, PRO109A, PRO109B, PRO90A, SER195A, SER195B, THR125A, THR174A, THR174B, THR206A, THR206B, TRP108A, TRP108B, TRP132A, TRP132B, TRP61A, TRP61B, TYR194A, TYR194B, TYR83A, TYR83B, TYR99A, TYR99B, VAL110A, VAL110B, VAL165A, VAL165B, VAL176A, VAL176B, VAL180A, VAL180B, VAL201A, VAL201B, VAL88A, VAL88B
• B-C: ALA196C, ALA80B, ALA80C, ARG199B, ARG199C, ASN144B, ASN144C, ASN155B, CYS56B, CYS56C, GLN146B, GLN146C, GLN148B, GLN148C, GLN62C, GLU152B, GLU152C, GLU157B, GLU157C, GLY140B, GLY140C, GLY149B, GLY149C, GLY82B, GLY82C, HIS183B, HIS183C, HIS78B, HIS78C, ILE151B, ILE151C, ILE203B, ILE203C, ILE60B, ILE84C, LYS156B, LYS156C, LYS159B, LYS159C, LYS188B, LYS188C, MET154B, MET154C, PHE139B, PRO145B, PRO145C, SER147B, SER147C, SER153B, SER153C, SER57B, SER57C, SER81B, SER81C, TYR143B, TYR194C, TYR83C, VAL150B, VAL150C, VAL77B, VAL77C, VAL79B, VAL79C