1ZTZ

crystal structure of hiv protease- metallacarborane complex

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 86
  • Norm. En. per Res.: -8.0133
• 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	-162.7834	1.6473	-528.01	-689.1461	86	37	9	17334	2	12	9
A-P	0.0	0.0	-19.481	-19.481	17	1	1	638	0	0	0
B-P	-16.7755	0.0	-45.8196	-62.5951	23	12	4	1549	0	0	0

Interface residues

• A-B: ALA28A, ALA28B, ARG87A, ARG87B, ARG8A, ARG8B, ASN88A, ASN88B, ASN98A, ASN98B, ASP25A, ASP25B, ASP29A, ASP29B, ASP30B, CYS67A, CYS67B, CYS95A, CYS95B, GLN2A, GLN2B, GLN92A, GLN92B, GLU65A, GLU65B, GLY27A, GLY27B, GLY68A, GLY68B, GLY86A, GLY86B, GLY94A, GLY94B, HIS69A, HIS69B, ILE13A, ILE13B, ILE3A, ILE3B, ILE66A, ILE66B, ILE84A, ILE84B, ILE85A, ILE85B, ILE93A, ILE93B, LEU10A, LEU10B, LEU23A, LEU23B, LEU24A, LEU24B, LEU5A, LEU5B, LEU89A, LEU89B, LEU90A, LEU90B, LEU97A, LEU97B, LYS70A, LYS7A, LYS7B, PHE99A, PHE99B, PRO1A, PRO1B, PRO9A, PRO9B, THR12A, THR12B, THR26A, THR26B, THR4A, THR4B, THR91A, THR91B, THR96A, THR96B, TRP6A, TRP6B, VAL11A, VAL11B, VAL82A, VAL82B
• A-P: ALA1P, ALA28A, ALA3P, ALA4P, ARG8A, ASP25A, ASP29A, ASP30A, GLY27A, GLY2P, GLY86A, ILE84A, LEU23A, LEU24A, THR26A, VAL32A, VAL82A
• B-P: ALA1P, ALA28B, ALA3P, ALA4P, ARG87B, ASN88B, ASP25B, ASP29B, ASP30B, GLY27B, GLY2P, GLY48B, GLY86B, ILE47B, ILE84B, LEU23B, LEU24B, LEU76B, THR26B, THR31B, THR80B, VAL32B, VAL82B