2AVV

kinetics, stability, and structural changes in high resolution crystal structures of hiv-1 protease with drug resistant mutations l24i, i50v, and g73s

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -6.3916
• Hub Node: A(3)

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	-167.738	-11.7219	-530.012	-709.4719	111	30	19	19727	4	13	9
A-D	-6.9437	-11.3772	-27.1266	-45.4474	18	0	0	992	1	5	2
A-E	0.0	0.0	-0.0021	-0.0021	2	0	0	5	0	1	0
B-D	0.0	0.0	-12.2129	-12.2129	8	0	0	386	0	0	0
B-E	-6.6921	-2.6226	-83.4349	-92.7496	36	3	0	2902	0	4	9
D-E	-168.6936	-11.5115	-553.809	-734.0141	118	35	18	20440	4	12	9

Interface residues

• A-B: ALA28A, ALA28B, ALA67A, ALA67B, ALA95A, ALA95B, ARG87A, ARG87B, ARG8A, ARG8B, ASN88A, ASN88B, ASN98A, ASN98B, ASP25A, ASP25B, ASP29A, ASP29B, ASP30A, GLN2A, GLN2B, GLN92A, GLN92B, GLY27A, GLY27B, GLY48A, GLY48B, GLY49A, GLY49B, GLY51A, GLY51B, GLY52A, GLY52B, GLY68A, GLY68B, GLY86A, GLY86B, GLY94A, GLY94B, HIS69A, HIS69B, ILE3A, ILE3B, ILE47A, ILE47B, ILE50A, ILE50B, ILE54A, ILE54B, ILE66A, ILE66B, ILE84A, ILE84B, ILE85A, ILE85B, ILE93A, ILE93B, LEU10A, LEU10B, LEU23A, LEU23B, LEU24A, LEU24B, LEU5A, LEU5B, LEU76A, LEU89A, LEU89B, LEU90A, LEU90B, LEU97A, LEU97B, LYS55A, LYS55B, LYS7A, LYS7B, MET46A, PHE53A, PHE53B, PHE99A, PHE99B, PRO1A, PRO1B, PRO79A, PRO79B, PRO81A, PRO81B, PRO9A, PRO9B, THR12A, THR12B, THR26A, THR26B, THR4A, THR4B, THR80A, THR80B, THR91A, THR91B, THR96A, THR96B, TRP6A, TRP6B, VAL11A, VAL11B, VAL32A, VAL32B, VAL56A, VAL56B, VAL82A, VAL82B
• A-D: ASN83A, GLN2D, GLU34A, GLU35A, GLY51A, GLY78A, ILE3D, ILE50A, ILE54A, LEU5D, LYS20A, LYS7D, PRO79A, PRO81A, THR4D, THR80A, TRP6D, VAL82A
• A-E: PRO81A, THR91E
• B-D: GLY48B, GLY49B, GLY51B, GLY52B, ILE47B, ILE50B, PHE53B, TRP6D
• B-E: ALA71E, ARG41E, ARG57B, ARG87E, ASN88E, ASP60E, GLN58B, GLN61E, GLN92E, GLY48B, GLY52B, GLY94E, HIS69E, ILE47B, ILE54B, ILE62E, ILE63E, ILE64E, ILE72E, ILE93E, LEU76B, LEU89E, LEU90E, LYS43B, LYS45B, LYS55B, LYS70E, MET46B, PHE53B, PRO44B, SER73E, THR74B, THR74E, THR91E, TRP42B, VAL56B
• D-E: ALA28D, ALA28E, ALA67D, ALA67E, ALA95D, ALA95E, ARG87D, ARG87E, ARG8D, ARG8E, ASN83D, ASN88D, ASN88E, ASN98D, ASN98E, ASP25D, ASP25E, ASP29D, ASP29E, ASP30D, ASP30E, GLN2D, GLN2E, GLN92D, GLN92E, GLY27D, GLY27E, GLY48D, GLY48E, GLY49D, GLY49E, GLY51D, GLY51E, GLY52D, GLY52E, GLY68D, GLY68E, GLY78D, GLY78E, GLY86D, GLY86E, GLY94D, GLY94E, HIS69D, HIS69E, ILE33D, ILE3D, ILE3E, ILE47D, ILE47E, ILE50D, ILE50E, ILE54D, ILE54E, ILE66D, ILE66E, ILE84D, ILE84E, ILE85D, ILE85E, ILE93D, ILE93E, LEU10D, LEU10E, LEU23D, LEU23E, LEU24D, LEU24E, LEU5D, LEU5E, LEU76D, LEU76E, LEU89D, LEU89E, LEU90D, LEU90E, LEU97D, LEU97E, LYS55D, LYS55E, LYS7D, LYS7E, MET46E, PHE53D, PHE53E, PHE99D, PHE99E, PRO1D, PRO1E, PRO79D, PRO79E, PRO81D, PRO81E, PRO9D, PRO9E, THR12D, THR12E, THR26D, THR26E, THR31D, THR4D, THR4E, THR80D, THR80E, THR91D, THR91E, THR96D, THR96E, TRP6D, TRP6E, VAL11D, VAL11E, VAL32D, VAL32E, VAL56D, VAL56E, VAL82D, VAL82E