3REA

hiv-1 nef protein in complex with engineered hck-sh3 domain

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 60
  • Norm. En. per Res.: -4.4113
• 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	-34.3562	8.5554	-238.004	-263.8048	63	5	0	7560	5	12	6
A-C	-40.5341	44.7579	-181.779	-177.5552	68	7	2	6834	0	13	12
A-D	-9.5417	43.3871	-17.1679	16.6775	19	3	0	834	1	2	6
B-C	0.0	0.0	-5.9313	-5.9313	10	1	0	193	0	1	2
C-D	-24.7454	0.0252	-239.958	-264.6782	60	2	0	7546	5	12	5

Interface residues

• A-B: ALA60A, ALA64A, ALA87A, ARG75A, ARG81A, ASN131B, ASP115A, ASP88B, ASP90A, ASP95B, ASP96B, GLN122A, GLN77A, GLU113B, GLU63A, GLY112B, GLY123A, HIS120A, HIS93A, ILE118A, ILE128B, ILE91A, LEU114A, LEU80A, LEU86B, LEU89A, LEU95A, LEU97B, LYS101B, LYS86A, LYS98A, MET83A, PHE94A, PHE99B, PRO129B, PRO73A, PRO76A, PRO79A, PRO82A, PRO94B, SER130B, SER91B, SER92A, SER93B, SER98B, THR121A, THR84A, TRP114B, TRP115B, TRP117A, TRP128A, TRP145A, TRP92B, TYR119A, TYR124A, TYR127B, TYR132B, TYR87B, TYR89B, VAL133B, VAL74A, VAL78A, VAL90B
• A-C: ARG109A, ARG109C, ARG110A, ARG75A, ARG75C, ARG81C, ASN130A, ASP115A, ASP115C, ASP127A, ASP127C, GLN108A, GLN108C, GLN111A, GLN111C, GLN129A, GLN129C, GLN77A, GLN77C, GLU112A, GLU112C, GLU67A, GLU68A, GLU68C, GLU69A, GLY123A, GLY123C, GLY71A, GLY71C, HIS120A, HIS120C, ILE113A, ILE113C, LEU114A, LEU114C, LEU116A, LEU116C, LEU80A, LEU80C, MET83C, PHE125A, PHE125C, PHE72A, PHE72C, PRO126A, PRO126C, PRO73A, PRO73C, PRO76A, PRO76C, PRO79A, PRO79C, PRO82A, PRO82C, TRP117A, TRP117C, TRP128A, TRP61A, TYR119A, TYR119C, TYR124A, TYR124C, VAL70A, VAL70C, VAL74A, VAL74C, VAL78A, VAL78C
• A-D: ARG109A, ASN131D, GLN65A, GLU113D, GLU67A, GLU68A, GLU69A, GLY112D, GLY71A, ILE113A, LEU86D, PHE72A, PRO73A, SER130D, TRP114D, TRP115D, TYR132D, TYR87D, VAL70A
• B-C: ARG109C, ASN131B, GLU113B, GLU68C, GLY71C, LEU86B, PHE72C, TYR132B, TYR87B, VAL70C
• C-D: ALA87C, ARG75C, ARG81C, ASN131D, ASP88D, ASP90C, ASP95D, ASP96D, GLN122C, GLN77C, GLU113D, GLU63C, GLY112D, GLY123C, HIS120C, HIS93C, ILE118C, ILE128D, ILE91C, LEU114C, LEU80C, LEU86D, LEU89C, LEU95C, LEU97D, LYS101D, LYS86C, LYS98C, MET83C, PHE94C, PHE99D, PRO129D, PRO73C, PRO76C, PRO79C, PRO82C, PRO94D, SER130D, SER91D, SER92C, SER93D, SER98D, THR121C, THR84C, TRP114D, TRP115D, TRP117C, TRP128C, TRP145C, TRP92D, TYR119C, TYR124C, TYR127D, TYR132D, TYR87D, TYR89D, VAL133D, VAL74C, VAL78C, VAL90D