3MOA

crystal structure of the neutralizing hiv antibody 2f5 fab fragment (recombinantly produced fab) with 17 aa gp41 mper-derived peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: P-H
  • Int. Res.: 41
  • Norm. En. per Res.: -5.4071
• Hub Node: P(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
P-L	-28.7003	-20.1663	-103.611	-152.4776	29	5	4	3960	1	8	3
P-H	-37.7239	-58.975	-124.992	-221.6909	41	4	0	4603	8	11	9
L-H	-45.0599	4.876	49.3796	9.1956	210	24	14	22071	4	31	28

Interface residues

• P-L: ALA32L, ALA667P, ASP664P, GLN27L, GLN3L, GLN90L, GLU659P, GLU662P, GLY28L, HIS92L, HIS96L, LEU2L, LEU660P, LEU661P, LEU663P, LEU669P, LEU91L, LYS665P, PHE93L, PRO95L, SER26L, SER31L, SER668P, THR30L, THR97L, TRP666P, TRP670P, TYR94L, VAL29L
• P-H: ALA100H, ALA667P, ARG100H, ARG58H, ARG95H, ARG96H, ASN100H, ASP31H, ASP54H, ASP55H, ASP56H, ASP664P, GLU659P, GLU662P, GLY100H, GLY33H, GLY35H, GLY97H, ILE100H, ILE50H, ILE51H, LEU661P, LEU663P, LEU669P, LYS57H, LYS665P, PHE32H, PRO100H, PRO61H, PRO98H, SER53H, SER668P, THR100H, THR99H, TRP47H, TRP666P, TRP670P, TYR52H, TYR59H, VAL100H, VAL34H
• L-H: ALA100H, ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA32L, ALA34L, ALA44H, ALA49H, ALA51L, ALA93H, ARG100H, ARG142L, ARG210H, ARG211L, ARG37L, ARG38H, ARG58H, ARG95H, ARG96H, ASN100H, ASN137L, ASN138L, ASN158L, ASN210L, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP217H, ASP50L, ASP56H, CYS134L, CYS140H, CYS214L, CYS216H, CYS88L, CYS92H, GLN105H, GLN124L, GLN160L, GLN166L, GLN171H, GLN38L, GLN39H, GLN45L, GLN6L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU212H, GLU213L, GLU46H, GLU55L, GLU6H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY133H, GLY139H, GLY157L, GLY162H, GLY212L, GLY35H, GLY41L, GLY42H, GLY99L, HIS164H, HIS92L, HIS94H, HIS96L, ILE117L, ILE37H, ILE48L, ILE50H, ILE51H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU33L, LEU45H, LEU46L, LEU47L, LEU48H, LEU54L, LEU63H, LEU91L, LYS126L, LYS129H, LYS143H, LYS169L, LYS207L, LYS209H, LYS214H, LYS43H, LYS57H, MET100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE91H, PHE93L, PHE98L, PRO100H, PRO113L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO213H, PRO40H, PRO43L, PRO44L, PRO61H, PRO95L, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER130H, SER131L, SER132H, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER208L, SER215H, SER31L, SER42L, SER52L, SER53L, SER56L, SER60H, SER62H, THR129L, THR131H, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR206L, THR30L, THR85L, THR89H, THR97L, THR99H, TRP103H, TRP35L, TRP36H, TRP47H, TYR173L, TYR176H, TYR186L, TYR192L, TYR36L, TYR49L, TYR52H, TYR59H, TYR86L, TYR87L, TYR94L, VAL100H, VAL102H, VAL115L, VAL121H, VAL132L, VAL133L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H, VAL29L