3UJI

crystal structure of anti-hiv-1 v3 fab 2558 in complex with mn peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 48
  • Norm. En. per Res.: -6.899
• 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	-39.492	-11.6844	-450.09	-501.2664	179	16	13	17950	3	16	16
L-P	-19.3955	-3.9209	-110.411	-133.7274	32	3	1	3726	0	5	3
H-P	-45.9143	-71.064	-214.173	-331.1513	48	9	1	6997	5	26	3

Interface residues

• L-H: ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA168H, ALA173L, ALA174L, ALA35H, ALA90L, ALA93H, ARG38H, ARG94H, ASN128L, ASN169L, ASN60H, ASP101H, ASP138L, ASP144H, ASP51L, ASP85L, ASP92L, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN126L, GLN167L, GLN171H, GLN37L, GLN38L, GLN39H, GLN42L, GLN6H, GLN89L, GLU123L, GLU124L, GLU160L, GLU212H, GLU3L, GLU46H, GLU50L, GLU98H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY139H, GLY158L, GLY174H, GLY41L, GLY42H, GLY44H, GLY49H, GLY95L, GLY96H, GLY99H, GLY99L, HIS164H, ILE136L, ILE48L, ILE50H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU178L, LEU180L, LEU45H, LEU45L, LEU46L, LEU4H, LEU95H, LEU95L, LYS103L, LYS129L, LYS143H, LYS166L, LYS171L, LYS209H, LYS210H, LYS31L, LYS39L, LYS43H, LYS53L, MET40H, MET48H, MET89H, PHE100H, PHE118L, PHE122H, PHE139L, PHE166H, PHE97H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO41H, PRO44L, PRO55L, SER100H, SER114L, SER120H, SER121L, SER122L, SER127H, SER137L, SER165L, SER168L, SER172H, SER173H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER34L, SER43L, SER56L, SER58H, SER61H, SER62H, THR116L, THR131L, THR145L, THR161L, THR162L, THR163L, THR165H, THR183H, THR94L, TRP103H, TRP33H, TRP35L, TRP36H, TRP47H, TRP91L, TYR100H, TYR102H, TYR172L, TYR176H, TYR177L, TYR2L, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, VAL115L, VAL121H, VAL133L, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL182H, VAL206L, VAL211H, VAL33L, VAL37H, VAL47L, VAL96L, VAL97L
• L-P: ALA316P, ALA90L, ARG315P, ASP30L, ASP51L, ASP92L, GLN89L, GLU50L, GLY29L, GLY312P, GLY314P, GLY95L, HIS308P, ILE27L, ILE307P, ILE309P, LEU28L, LEU95L, LYS31L, LYS53L, LYS66L, PHE317P, PRO313P, SER93L, THR319P, THR320P, THR94L, TRP91L, TYR318P, TYR32L, VAL33L, VAL96L
• H-P: ALA316P, ALA35H, ARG304P, ARG306P, ARG315P, ASN302P, ASN31H, ASN60H, ASP100H, ASP53H, ASP54H, ASP56H, GLU98H, GLY100H, GLY312P, GLY314P, GLY49H, GLY96H, GLY99H, HIS308P, ILE307P, ILE309P, ILE34H, ILE50H, LEU95H, LYS303P, LYS305P, PHE100H, PHE317P, PHE97H, PRO313P, PRO52H, SER100H, SER30H, SER55H, SER57H, SER58H, THR319P, THR320P, TRP33H, TRP47H, TYR100H, TYR301P, TYR318P, TYR32H, TYR52H, TYR59H, VAL51H