3OU4

mdr769 hiv-1 protease complexed with tf/pr hepta-peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -7.9999
• 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	-147.6406	-39.6374	-532.71	-719.988	90	27	7	17521	4	4	2
A-C	-29.0911	0.0	-77.9991	-107.0902	35	13	1	2858	0	0	0
B-C	-33.9908	0.0	-103.602	-137.5928	36	12	2	3752	0	0	0

Interface residues

• A-B: ALA28A, ALA28B, ARG87A, ARG87B, ARG8A, ARG8B, ASN25A, ASN25B, ASN88A, ASN88B, ASN98A, ASN98B, ASP29A, ASP29B, CYS67A, CYS67B, CYS95A, CYS95B, GLN2A, GLN2B, GLN7A, GLN7B, GLN92A, GLN92B, GLY27A, GLY27B, GLY51A, GLY51B, GLY68A, GLY68B, GLY86A, GLY86B, GLY94A, GLY94B, HIS69A, HIS69B, ILE10A, ILE10B, ILE3A, ILE3B, ILE50A, ILE50B, ILE66A, ILE66B, ILE85A, ILE85B, ILE93A, ILE93B, LEU23A, LEU23B, LEU24A, LEU24B, LEU5A, LEU5B, LEU89A, LEU89B, LEU97A, LEU97B, MET90A, MET90B, PHE99A, PHE99B, PRO1A, PRO1B, PRO81A, PRO81B, PRO9A, PRO9B, THR12A, THR12B, THR26A, THR26B, THR4A, THR4B, THR80A, THR80B, THR82A, THR82B, THR91A, THR91B, THR96A, THR96B, TRP6A, TRP6B, VAL11A, VAL11B, VAL54A, VAL54B, VAL84A, VAL84B
• A-C: ALA28A, ARG87A, ARG8A, ASN25A, ASN304C, ASN83A, ASP29A, ASP30A, GLN307C, GLY27A, GLY48A, GLY49A, GLY52A, GLY86A, ILE308C, ILE47A, ILE50A, ILE85A, LEU23A, LEU46A, LEU76A, LYS45A, PHE303C, PHE305C, PHE53A, PRO306C, PRO81A, THR26A, THR309C, THR31A, THR80A, THR82A, VAL32A, VAL54A, VAL84A
• B-C: ALA28B, ARG87B, ARG8B, ASN25B, ASN304C, ASN88B, ASP29B, ASP30B, GLN307C, GLN58B, GLY27B, GLY48B, GLY49B, GLY86B, ILE10B, ILE308C, ILE47B, ILE50B, LEU23B, LEU46B, LEU76B, LYS45B, PHE303C, PHE305C, PHE53B, PRO306C, PRO81B, THR26B, THR309C, THR31B, THR80B, THR82B, VAL32B, VAL54B, VAL56B, VAL84B