3OTS

mdr769 hiv-1 protease complexed with ma/ca hepta-peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 88
  • Norm. En. per Res.: -8.2542
• 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	-158.3407	-41.282	-526.747	-726.3697	88	28	7	17292	4	4	2
A-P	-29.0411	0.0	-73.2594	-102.3005	34	10	1	2745	0	0	0
B-P	-19.7966	0.0	-78.9671	-98.7637	38	13	2	3327	0	0	0

Interface residues

• A-B: ALA28A, ALA28B, ALA82A, 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, THR91A, THR91B, THR96A, THR96B, TRP6A, TRP6B, VAL11A, VAL11B, VAL54A, VAL54B, VAL84A, VAL84B
• A-P: ALA28A, ALA82A, ARG87A, ARG8A, ASN25A, ASN4P, ASN83A, ASP29A, ASP30A, GLN3P, GLN9P, GLY27A, GLY48A, GLY49A, GLY86A, ILE47A, ILE50A, ILE7P, ILE85A, LEU23A, LEU46A, LEU76A, LYS45A, PRO6P, PRO81A, THR26A, THR31A, THR80A, TYR5P, VAL32A, VAL54A, VAL56A, VAL84A, VAL8P
• B-P: ALA28B, ALA82B, ARG87B, ARG8B, ASN25B, ASN4P, ASN83B, ASP29B, ASP30B, GLN3P, GLN9P, GLY27B, GLY48B, GLY49B, GLY86B, ILE10B, ILE47B, ILE50B, ILE7P, ILE85B, LEU23B, LEU24B, LEU46B, LEU76B, LYS45B, PHE53B, PRO6P, PRO81B, PRO9B, THR26B, THR31B, THR80B, TYR5P, VAL32B, VAL54B, VAL56B, VAL84B, VAL8P