3LZU

crystal structure of a nelfinavir resistant hiv-1 crf01_ae protease variant (n88s) in complex with the protease inhibitor darunavir.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: B-A
  • Int. Res.: 122
  • Norm. En. per Res.: -6.053
• Hub Node: B(1)

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
B-A	-173.3924	25.8206	-590.89	-738.4619	122	34	15	21635	0	12	9

Interface residues

• B-A: ALA28A, ALA28B, ARG87A, ARG87B, ARG8A, ARG8B, ASN83A, ASN83B, ASN98A, ASN98B, ASP25A, ASP25B, ASP29A, ASP29B, ASP30A, ASP30B, CYS67A, CYS67B, CYS95A, CYS95B, GLN2A, GLN2B, GLN92A, GLN92B, GLU34A, GLY27A, GLY27B, GLY48A, GLY48B, GLY49A, GLY49B, GLY51A, GLY51B, GLY52A, GLY52B, GLY68A, GLY68B, GLY78A, GLY78B, GLY86A, GLY86B, GLY94A, GLY94B, ILE3A, ILE3B, ILE47A, ILE47B, ILE50A, ILE50B, ILE54A, ILE54B, ILE66A, ILE66B, ILE84A, ILE84B, ILE85A, ILE85B, ILE93A, ILE93B, LEU10A, LEU10B, LEU23A, LEU23B, LEU24A, LEU24B, LEU33A, LEU33B, LEU5A, LEU5B, LEU76A, LEU76B, LEU90A, LEU90B, LEU97A, LEU97B, LYS55A, LYS55B, LYS69A, LYS69B, LYS7A, LYS7B, MET46A, MET89A, MET89B, PHE53A, PHE53B, PHE99A, PHE99B, PRO1A, PRO1B, PRO79A, PRO79B, PRO81A, PRO81B, PRO9A, PRO9B, SER88A, SER88B, THR12A, THR12B, THR26A, THR26B, THR31A, THR31B, THR4A, THR4B, THR80A, THR80B, THR91A, THR91B, THR96A, THR96B, TRP6A, TRP6B, VAL11A, VAL11B, VAL32A, VAL32B, VAL56A, VAL56B, VAL82A, VAL82B