3MLZ

crystal structure of anti-hiv-1 v3 fab 3074 in complex with a vi191 v3 peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 49
  • Norm. En. per Res.: -4.9214
• Hub Node: L(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
L-H	-42.3703	-38.605	-476.078	-557.0533	195	16	12	19159	5	27	28
L-P	0.0	-6.0117	-24.4022	-30.4139	22	0	0	1121	0	3	3
H-P	-44.8174	-21.4453	-174.887	-241.1497	49	7	6	6688	0	14	10

Interface residues

• L-H: ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA157L, ALA168H, ALA173L, ALA174L, ALA43L, ALA84H, ALA89L, ALA93H, ARG100H, ARG38H, ARG94H, ARG95L, ASN128L, ASN169L, ASN27L, ASN30L, ASN31L, ASN51L, ASN60H, ASP101H, ASP138L, ASP144H, ASP92L, ASP95H, CYS100H, CYS134L, CYS140H, CYS211L, CYS216H, CYS88L, CYS92H, GLN100H, GLN105H, GLN126L, GLN167L, GLN171H, GLN37L, GLN38L, GLN39H, GLU100H, GLU123L, GLU124L, GLU160L, GLU210L, GLU212H, GLU46H, GLU50L, GLU6H, GLU85L, GLU98H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY133H, GLY139H, GLY158L, GLY162H, GLY41L, GLY42H, GLY44H, GLY49H, GLY93L, GLY97H, GLY99L, HIS100H, HIS164H, HIS39L, ILE136L, ILE37H, ILE48H, ILE48L, LEU102H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU180L, LEU45H, LEU46L, LEU47L, LEU63H, LEU95L, LYS117H, LYS129H, LYS129L, LYS143H, LYS166L, LYS171L, LYS204L, LYS209H, LYS210H, LYS214H, LYS43H, LYS45L, LYS53L, LYS64H, MET32L, PHE100H, PHE118L, PHE122H, PHE139L, PHE166H, PHE96H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO40L, PRO41H, PRO44L, PRO55L, PRO61H, SER114L, SER120H, SER121L, SER122L, SER127H, SER128H, SER130H, SER132H, SER137L, SER161H, SER165L, SER168L, SER172H, SER173H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER215H, SER34L, SER35H, SER58H, SER62H, SER94L, THR116L, THR131L, THR160H, THR161L, THR162L, THR163L, THR165H, THR181L, THR183H, THR209L, THR42L, THR90L, THR96L, TRP103H, TRP35L, TRP36H, TRP91L, TYR172L, TYR176H, TYR177L, TYR36L, TYR47H, TYR49L, TYR50H, TYR59H, TYR86L, TYR87L, TYR91H, VAL121H, VAL133L, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL182H, VAL206L, VAL211H, VAL33L, VAL89H, VAL97L
• L-P: ARG315P, ARG54L, ARG66L, ASN30L, ASN31L, ASN51L, GLU50L, GLY29L, GLY312P, HIS308P, ILE309P, ILE48L, LEU46L, LYS305P, LYS53L, MET32L, PRO313P, PRO55L, SER34L, SER56L, THR303P, TYR49L
• H-P: ALA316P, ALA319P, ARG100H, ARG304P, ARG315P, ARG94H, ASP100H, ASP101H, ASP95H, CYS100H, GLN100H, GLN1H, GLN322P, GLU100H, GLU98H, GLY100H, GLY306P, GLY312P, GLY314P, GLY31H, GLY321P, GLY97H, HIS100H, HIS308P, HIS33H, ILE29H, ILE307P, ILE309P, ILE323P, LEU102H, LYS305P, PHE100H, PHE317P, PHE32H, PHE96H, PRO313P, SER28H, SER30H, SER54H, SER56H, THR303P, THR320P, THR324P, TYR100H, TYR318P, TYR52H, TYR53H, TYR99H, VAL2H