3RBB

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

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 54
  • Norm. En. per Res.: -4.2962
• 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	-30.1953	-3.4637	-198.337	-231.996	54	3	1	6631	0	11	4
A-C	-27.0258	-17.572	-341.633	-386.2308	116	9	12	14778	4	32	23
A-D	0.0	6.7595	-39.9417	-33.1823	19	5	1	1439	0	1	2
B-C	0.0	0.0	-21.2966	-21.2966	10	1	1	888	0	0	0
C-D	-15.9215	-2.3822	-190.496	-208.7997	53	6	1	6575	0	12	4

Interface residues

• A-B: ALA87A, ARG75A, ARG81A, ASN131B, ASP88B, ASP90A, ASP96B, GLN122A, GLN77A, GLU113B, GLU97A, GLY112B, GLY123A, HIS120A, HIS93A, ILE118A, ILE128B, ILE91A, LEU80A, LEU86B, LEU89A, LEU95A, LYS86A, LYS98A, PHE93B, PHE94A, PHE99B, PRO129B, PRO73A, PRO76A, PRO79A, PRO82A, PRO92B, SER111B, SER130B, SER91B, SER92A, SER94B, SER98B, THR121A, TRP114B, TRP115B, TRP117A, TRP95B, TYR119A, TYR124A, TYR127B, TYR132B, TYR87B, TYR89B, TYR90B, VAL133B, VAL74A, VAL78A
• A-C: ALA180A, ALA180C, ARG109A, ARG109C, ARG110A, ARG110C, ARG188A, ARG188C, ARG75A, ARG75C, ASN165A, ASN166A, ASP115A, ASP179A, GLN108A, GLN111A, GLN111C, GLN129A, GLU102A, GLU102C, GLU112A, GLU112C, GLU153A, GLU153C, GLU155C, GLU164A, GLU178A, GLU181A, GLU181C, GLU183A, GLU183C, GLU69C, GLU97A, GLY100A, GLY100C, GLY103A, GLY103C, GLY163A, GLY176A, GLY71C, GLY99A, GLY99C, HIS120A, HIS120C, HIS170A, HIS170C, HIS175A, ILE105A, ILE105C, ILE113A, ILE113C, ILE118A, ILE118C, ILE91C, LEU101A, LEU101C, LEU104A, LEU104C, LEU114A, LEU114C, LEU116A, LEU116C, LEU168A, LEU168C, LEU169A, LEU169C, LEU174A, LEU185A, LEU185C, LEU95A, LEU95C, LYS156A, LYS156C, LYS182A, LYS182C, LYS96A, LYS98A, LYS98C, MET172A, MET172C, MET177A, PHE72A, PHE72C, PHE94A, PHE94C, PRO151A, PRO151C, PRO154A, PRO154C, PRO171A, PRO171C, PRO73A, PRO73C, SER107A, SER107C, SER167A, SER167C, SER173A, THR121A, THR121C, TRP106A, TRP106C, TRP117A, TRP117C, TRP187A, TRP187C, VAL150A, VAL152A, VAL152C, VAL157A, VAL184A, VAL184C, VAL186A, VAL186C, VAL70C, VAL74C
• A-D: ASN165A, ASN166A, ASP88D, GLN100D, GLU162A, GLU164A, HIS170A, LEU168A, LEU169A, PHE93D, PHE99D, PRO171A, PRO92D, SER167A, SER91D, SER98D, TYR132D, TYR89D, TYR90D
• B-C: HIS170C, LEU168C, LEU169C, PHE93B, PRO171C, PRO92B, SER167C, SER91B, TYR89B, TYR90B
• C-D: ALA87C, ALA88C, ARG75C, ARG81C, ASN131D, ASP88D, ASP90C, ASP96D, GLN122C, GLN77C, GLU113D, GLY112D, GLY123C, HIS120C, HIS93C, ILE118C, ILE128D, ILE91C, LEU80C, LEU86D, LEU89C, LEU95C, LYS86C, LYS98C, PHE93D, PHE94C, PHE99D, PRO129D, PRO73C, PRO76C, PRO79C, PRO82C, PRO92D, SER111D, SER130D, SER91D, SER92C, SER94D, SER98D, THR121C, TRP114D, TRP115D, TRP117C, TRP95D, TYR119C, TYR124C, TYR127D, TYR132D, TYR87D, TYR89D, TYR90D, VAL74C, VAL78C