3OUD

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

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -8.0405
• 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	-149.8831	-41.0019	-532.764	-723.649	90	35	7	17414	4	4	2
A-P	-13.0435	-6.5828	4.845	-14.7813	32	15	4	3021	0	3	2
B-P	-19.1801	37.467	-109.439	-91.1521	41	29	4	4563	0	3	3

Interface residues

• A-B: ALA28A, ALA28B, ARG87A, ARG87B, ARG8A, ARG8B, ASN25A, ASN25B, ASN88A, ASN88B, ASN98A, ASN98B, ASP29A, ASP29B, ASP30A, ASP30B, CYS67A, CYS67B, CYS95A, CYS95B, GLN2A, GLN2B, GLN7A, GLN7B, GLN92A, GLN92B, GLY27A, GLY27B, 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, VAL71A, VAL71B, VAL84A, VAL84B
• A-P: ALA22A, ALA28A, ALA8P, ARG3P, ARG87A, ARG8A, ASN25A, ASN83A, ASP29A, ASP30A, GLU7P, GLY27A, GLY48A, GLY86A, ILE47A, ILE50A, ILE85A, LEU23A, LEU24A, LEU5P, LEU76A, LYS45A, MET9P, PHE6P, PRO81A, THR26A, THR31A, THR80A, THR82A, VAL32A, VAL4P, VAL84A
• B-P: ALA28B, ALA8P, ARG3P, ARG87B, ARG8B, ASN25B, ASN83B, ASN88B, ASP29B, ASP30B, GLN58B, GLU7P, GLY27B, GLY48B, GLY49B, GLY86B, ILE10B, ILE47B, ILE50B, ILE85B, LEU23B, LEU24B, LEU46B, LEU5P, LEU76B, LYS45B, MET9P, PHE53B, PHE6P, PRO81B, PRO9B, THR26B, THR31B, THR32B, THR74B, THR80B, THR82B, VAL4P, VAL54B, VAL56B, VAL84B