3D3T

crystal structure of hiv-1 crf01_ae in complex with the substrate p1- p6

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 119
  • Norm. En. per Res.: -6.0705
• 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	-169.1117	-12.7514	-540.522	-722.3851	119	31	14	20059	0	4	2
A-P	-66.4223	0.0	-103.32	-169.7423	38	8	6	3994	0	0	1
B-P	-68.3828	0.0	-136.62	-205.0028	40	9	5	4923	0	3	5

Interface residues

• A-B: ALA28A, ALA28B, ARG87A, ARG87B, ARG8A, ARG8B, ASN25A, ASN25B, ASN83A, ASN83B, ASN88A, ASN88B, ASN98A, ASN98B, ASP29A, ASP29B, ASP30A, ASP30B, CYS67A, CYS67B, CYS95A, CYS95B, GLN2A, GLN2B, GLN7A, GLN7B, GLN92A, GLN92B, 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, LEU10A, LEU10B, LEU23A, LEU23B, LEU24A, LEU24B, LEU33A, LEU33B, LEU5A, LEU5B, LEU76A, LEU76B, LEU90A, LEU90B, LEU93A, LEU93B, LEU97A, LEU97B, LYS55A, LYS69A, LYS69B, MET89A, MET89B, PHE53A, PHE53B, PHE99A, PHE99B, PRO1A, PRO1B, PRO79A, PRO79B, PRO81A, PRO81B, PRO9A, PRO9B, THR12A, THR12B, THR26A, THR26B, THR31A, THR31B, THR4A, THR4B, THR80A, THR80B, THR91A, THR91B, THR96A, THR96B, TRP6A, TRP6B, VAL11A, VAL11B, VAL32A, VAL32B, VAL56A, VAL56B, VAL82A, VAL82B
• A-P: ALA28A, ARG87A, ARG8A, ARG9P, ASN25A, ASN4P, ASN83A, ASN88A, ASP29A, ASP30A, GLN7P, GLY27A, GLY3P, GLY48A, GLY49A, GLY51A, GLY52A, GLY86A, ILE47A, ILE50A, ILE54A, ILE84A, LEU23A, LEU6P, LEU76A, LYS45A, MET46A, PHE53A, PHE5P, PRO10P, PRO81A, SER8P, THR26A, THR31A, THR80A, VAL32A, VAL56A, VAL82A
• B-P: ALA28B, ARG87B, ARG8B, ARG9P, ASN25B, ASN4P, ASN83B, ASN88B, ASP29B, ASP30B, GLN7P, GLY27B, GLY3P, GLY48B, GLY49B, GLY51B, GLY52B, GLY86B, ILE47B, ILE50B, ILE54B, ILE84B, LEU10B, LEU23B, LEU6P, LEU76B, LYS45B, MET46B, PHE53B, PHE5P, PRO10P, PRO81B, PRO9B, SER8P, THR26B, THR31B, THR80B, VAL32B, VAL56B, VAL82B