3DS3

hiv-1 capsid c-terminal domain mutant (y169a) in complex with an inhibitor of particle assembly (cai)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 53
  • Norm. En. per Res.: -3.9612
• 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-C	0.0	6.2561	-161.385	-155.1289	54	6	8	6775	0	8	11
A-B	0.0	40.4346	-111.321	-70.8864	47	3	5	4807	0	6	7
B-D	-20.35	3.8221	-193.415	-209.943	53	5	7	7377	0	10	12

Interface residues

• A-C: ALA169A, ALA174A, ALA177A, ALA209A, ARG162A, ARG167A, ARG173A, ASN183A, ASP163A, ASP166A, ASP5C, ASP8C, GLN179A, GLU175A, GLU180A, GLU187A, GLU212A, GLU213A, GLU4C, GLY11C, GLY206A, GLY208A, ILE150A, ILE1C, LEU172A, LEU190A, LEU202A, LEU211A, LEU6C, LEU7C, LYS170A, LYS182A, MET185A, MET214A, MET215A, PHE161A, PHE168A, PHE3C, PRO12C, PRO207A, SER178A, THR171A, THR186A, THR188A, THR210A, THR216A, THR2C, TRP184A, TYR10C, TYR164A, TYR9C, VAL165A, VAL181A, VAL191A
• A-B: ALA177A, ALA177B, ASN183A, ASN183B, ASN193A, ASN193B, ASP152A, ASP152B, GLN176A, GLN176B, GLN179A, GLN179B, GLN192A, GLN192B, GLU175A, GLU175B, GLU180A, GLU180B, GLU187B, ILE150A, ILE150B, LEU151A, LEU151B, LEU172A, LEU172B, LEU189A, LEU189B, LEU190B, LYS182A, LYS182B, MET185A, MET185B, PHE168A, SER149A, SER149B, SER178A, SER178B, THR148A, THR148B, THR186A, THR186B, THR188A, THR188B, TRP184A, TRP184B, VAL181A, VAL181B
• B-D: ALA169B, ALA174B, ALA177B, ALA209B, ARG162B, ARG167B, ARG173B, ASN183B, ASP163B, ASP166B, ASP5D, ASP8D, GLN179B, GLU175B, GLU180B, GLU187B, GLU212B, GLU213B, GLU4D, GLY11D, GLY206B, GLY208B, ILE150B, ILE1D, LEU172B, LEU190B, LEU202B, LEU211B, LEU6D, LEU7D, LYS170B, LYS182B, MET185B, MET214B, MET215B, PHE161B, PHE168B, PHE3D, PRO12D, PRO207B, SER178B, THR171B, THR186B, THR188B, THR210B, THR2D, TRP184B, TYR10D, TYR164B, TYR9D, VAL165B, VAL181B, VAL191B