3OUC

mdr769 hiv-1 protease complexed with p2/nc hepta-peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -7.7794
• 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	-145.5555	-38.2416	-516.35	-700.1472	90	30	7	17352	4	4	2
A-P	-11.5255	6.8943	-90.7318	-95.363	34	15	4	3387	0	0	1
B-P	-11.0966	-2.368	-78.8042	-92.2687	38	19	0	3228	0	2	2

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-P: ALA28A, ARG87A, ARG8A, ARG8P, ASN25A, ASN83A, ASN88A, ASP29A, ASP30A, GLN7P, GLY27A, GLY48A, GLY49A, GLY86A, GLY9P, ILE47A, ILE4P, ILE50A, ILE85A, LEU23A, LEU46A, LEU76A, LYS45A, MET5P, MET6P, PHE53A, PRO81A, THR26A, THR31A, THR3P, THR80A, THR82A, VAL32A, VAL84A
• B-P: ALA28B, ARG87B, ARG8B, ARG8P, ASN25B, ASN83B, ASN88B, ASP29B, ASP30B, GLN7P, GLY27B, GLY48B, GLY49B, GLY51B, GLY52B, GLY86B, GLY9P, ILE47B, ILE4P, ILE50B, LEU23B, LEU24B, LEU46B, LEU76B, LYS45B, MET5P, MET6P, PHE53B, PRO81B, PRO9B, THR26B, THR31B, THR3P, THR80B, THR82B, VAL32B, VAL56B, VAL84B