4UPJ

human immunodeficiency virus type 2 protease mutant with lys 57 replaced by leu (k57l) complex with u097410 [4- hydroxy-3-[1-[3-[[[[(tert-butyloxycarbonyl) aminomethyl]carbonyl]amino]phenyl]propyl]coumarin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 108
  • Norm. En. per Res.: -6.1484
• 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	-132.5283	-7.9993	-523.497	-664.0246	108	51	17	20041	5	12	9

Interface residues

• A-B: ALA28A, ALA28B, ALA34B, ALA92A, ALA92B, ARG87A, ARG87B, ARG8A, ARG8B, ASN55A, ASN68B, ASN83A, ASN83B, ASN88A, ASN88B, ASN98A, ASN98B, ASP25A, ASP25B, ASP29A, ASP29B, ASP30A, ASP30B, ASP79A, ASP79B, GLN2A, GLN2B, GLY27A, GLY27B, GLY48A, GLY48B, GLY49A, GLY49B, GLY51A, GLY51B, GLY52A, GLY52B, GLY78A, GLY86A, GLY86B, GLY94A, GLY94B, ILE32A, ILE32B, ILE50A, ILE50B, ILE54A, ILE54B, ILE82A, ILE82B, ILE84A, ILE84B, ILE89A, ILE89B, LEU23A, LEU23B, LEU24A, LEU24B, LEU5A, LEU5B, LEU67A, LEU67B, LEU90A, LEU90B, LEU93A, LEU93B, LEU97A, LEU97B, LEU99A, LEU99B, LYS69A, LYS69B, LYS7A, LYS7B, MET95A, MET95B, PHE3A, PHE3B, PHE53A, PHE53B, PHE85A, PHE85B, PRO1A, PRO1B, PRO81A, PRO81B, PRO9A, PRO9B, SER4A, SER4B, SER96A, SER96B, THR26A, THR26B, THR56A, THR80A, THR80B, THR91A, THR91B, TRP6A, TRP6B, VAL10A, VAL10B, VAL11B, VAL33B, VAL47A, VAL47B, VAL66B