2AOF

crystal structure analysis of hiv-1 protease mutant v82a with a substrate analog p1-p6

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -6.5279
• 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	-154.6139	-11.4014	-597.748	-763.7633	117	27	21	20698	4	13	9
A-C	-25.9031	0.0	-95.2022	-121.1053	43	3	4	4002	0	2	5
B-C	-29.8596	0.0	-102.367	-132.2266	40	9	1	4083	0	4	6

Interface residues

• A-B: ALA128B, ALA167B, ALA182B, ALA195B, ALA28A, ALA67A, ALA82A, ALA95A, ARG108B, ARG187B, ARG87A, ARG8A, ASN183B, ASN188B, ASN198B, ASN83A, ASN88A, ASN98A, ASP125B, ASP129B, ASP130B, ASP25A, ASP29A, ASP30A, GLN102B, GLN192B, GLN2A, GLN92A, GLY127B, GLY148B, GLY149B, GLY151B, GLY152B, GLY168B, GLY178B, GLY186B, GLY194B, GLY27A, GLY48A, GLY49A, GLY51A, GLY52A, GLY68A, GLY78A, GLY86A, GLY94A, HIS169B, HIS69A, ILE103B, ILE133B, ILE147B, ILE150B, ILE154B, ILE166B, ILE184B, ILE185B, ILE193B, ILE33A, ILE3A, ILE47A, ILE50A, ILE54A, ILE66A, ILE84A, ILE85A, ILE93A, LEU105B, LEU10A, LEU110B, LEU123B, LEU124B, LEU176B, LEU189B, LEU190B, LEU197B, LEU23A, LEU24A, LEU5A, LEU76A, LEU89A, LEU90A, LEU97A, LYS107B, LYS155B, LYS55A, LYS7A, PHE153B, PHE199B, PHE53A, PHE99A, PRO101B, PRO109B, PRO179B, PRO181B, PRO1A, PRO79A, PRO81A, PRO9A, THR104B, THR126B, THR131B, THR180B, THR191B, THR196B, THR26A, THR4A, THR80A, THR91A, THR96A, TRP106B, TRP6A, VAL111B, VAL11A, VAL132B, VAL156B, VAL32A, VAL56A
• A-C: ALA28A, ALA82A, ARG301C, ARG309C, ARG87A, ARG8A, ASN304C, ASN83A, ASP25A, ASP29A, ASP30A, GLN307C, GLN58A, GLY27A, GLY303C, GLY48A, GLY49A, GLY51A, GLY52A, GLY86A, ILE47A, ILE50A, ILE54A, ILE84A, LEU23A, LEU306C, LEU76A, LYS43A, LYS45A, LYS7A, MET46A, PHE53A, PRO302C, PRO310C, PRO44A, PRO81A, SER308C, THR26A, THR31A, THR80A, TRP6A, VAL32A, VAL56A
• B-C: ALA128B, ALA182B, ARG108B, ARG187B, ARG301C, ARG309C, ASN188B, ASN304C, ASP125B, ASP129B, ASP130B, GLN158B, GLN307C, GLY127B, GLY148B, GLY149B, GLY151B, GLY152B, GLY186B, GLY303C, ILE147B, ILE150B, ILE154B, ILE184B, LEU123B, LEU176B, LEU306C, LYS145B, MET146B, PHE153B, PRO144B, PRO181B, PRO302C, PRO310C, SER308C, THR126B, THR131B, THR180B, VAL132B, VAL156B