3MLR

crystal structure of anti-hiv-1 v3 fab 2557 in complex with a ny5 v3 peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 40
  • Norm. En. per Res.: -5.2948
• 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	-16.4325	-27.8386	-490.269	-534.5401	202	12	14	20525	2	21	19
L-P	-11.0729	-0.6811	-94.6053	-106.3593	37	9	6	3981	0	4	3
H-P	-54.1504	-45.5244	-112.118	-211.7928	40	5	0	3860	4	11	5

Interface residues

• L-H: ALA100H, ALA125H, ALA131L, ALA134L, ALA136H, ALA137H, ALA161L, ALA168H, ALA177L, ALA178L, ALA211L, ALA57H, ALA90L, ALA93L, ARG106L, ARG38H, ARG39L, ARG54L, ARG94H, ASN100H, ASN132L, ASN173L, ASP101H, ASP104L, ASP142L, ASP144H, ASP51L, ASP56H, ASP85L, ASP92L, CYS138L, CYS140H, CYS88L, CYS92H, GLN100H, GLN105H, GLN130L, GLN171H, GLN171L, GLN38L, GLN39H, GLN42L, GLN50L, GLN89L, GLU127L, GLU128L, GLU164L, GLU212H, GLU46H, GLU64H, GLU6H, GLU99H, GLY100H, GLY103L, GLY104H, GLY105L, GLY106H, GLY139H, GLY162H, GLY162L, GLY35H, GLY41L, GLY42H, GLY44H, GLY49H, GLY95L, HIS164H, HIS58H, ILE140L, ILE48H, ILE50H, LEU101L, LEU102H, LEU121L, LEU124H, LEU129L, LEU136L, LEU138H, LEU139L, LEU141H, LEU170H, LEU175H, LEU178H, LEU182L, LEU184L, LEU45H, LEU46L, LEU47L, LEU95H, LEU97H, LEU98L, LYS129H, LYS133L, LYS143H, LYS170L, LYS175L, LYS208L, LYS209H, LYS210H, LYS214H, LYS43H, LYS53L, LYS89H, LYS97L, MET48L, PHE100H, PHE102L, PHE122H, PHE122L, PHE143L, PHE166H, PHE52L, PHE91H, PHE98H, PRO123H, PRO123L, PRO124L, PRO126H, PRO167H, PRO168L, PRO212L, PRO40L, PRO41H, PRO44L, PRO55L, PRO61H, SER100H, SER118L, SER120H, SER125L, SER126L, SER127H, SER128H, SER130H, SER132H, SER141L, SER161H, SER169L, SER172H, SER172L, SER173H, SER177H, SER179H, SER179L, SER180H, SER180L, SER183L, SER1L, SER215H, SER34L, SER43L, SER56L, SER60H, SER62H, SER94L, THR120L, THR131H, THR135H, THR135L, THR160H, THR165H, THR165L, THR166L, THR167L, THR183H, THR213L, THR93H, THR96L, THR99L, TRP103H, TRP189L, TRP33H, TRP35L, TRP36H, TRP47H, TRP91L, TYR176H, TYR176L, TYR181L, TYR32L, TYR36L, TYR37L, TYR49L, TYR59H, TYR86L, TYR87L, TYR96H, VAL100L, VAL119L, VAL121H, VAL137L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL210L, VAL211H, VAL33L, VAL37H, VAL45L
• L-P: ALA308P, ALA90L, ALA93L, ARG315P, ASP29L, ASP30L, ASP51L, ASP92L, GLN50L, GLN89L, GLY306P, GLY312P, GLY314P, GLY95L, ILE307P, ILE309P, LEU101L, LEU28L, LEU317P, LEU98L, LYS27L, LYS305P, LYS31L, LYS66L, LYS97L, PRO313P, SER94L, THR316P, THR95L, THR96L, THR99L, TRP91L, TYR2L, TYR318P, TYR32L, VAL100L, VAL33L
• H-P: ALA100H, ALA308P, ALA57H, ARG315P, ASN100H, ASN28H, ASP31H, ASP53H, ASP54H, ASP56H, GLN100H, GLU99H, GLY306P, GLY312P, GLY314P, HIS58H, ILE307P, ILE309P, ILE34H, ILE50H, ILE51H, LEU30H, LEU317P, LEU95H, LEU97H, LYS304P, LYS305P, PHE100H, PHE98H, PRO313P, PRO52H, SER100H, SER32H, SER55H, THR303P, THR316P, TRP33H, TYR318P, TYR52H, TYR96H