3UJJ

crystal structure of anti-hiv-1 v3 fab 4025 in complex with con a peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-P
  • Int. Res.: 36
  • Norm. En. per Res.: -5.4157
• 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	-12.8439	-34.096	269.389	222.449	185	18	10	18257	2	18	18
L-P	-40.155	-26.2114	-128.597	-194.9635	36	4	1	4115	1	3	3
H-P	-45.1755	-5.9081	-135.446	-186.5296	44	12	1	4529	3	5	6

Interface residues

• L-H: ALA100H, ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA168H, ALA173L, ALA174L, ALA207L, ALA35H, ALA43L, ALA93H, ARG100H, ARG38H, ARG54L, ARG58H, ASN100H, ASN128L, ASN169L, ASN92L, ASP101H, ASP138L, ASP144H, ASP217H, ASP85L, CYS134L, CYS140H, CYS211L, CYS216H, CYS88L, CYS92H, GLN105H, GLN126L, GLN167L, GLN171H, GLN37L, GLN38L, GLN39H, GLN42L, GLN6H, GLU123L, GLU124L, GLU160L, GLU210L, GLU46H, GLU50L, GLY100H, GLY101L, GLY104H, GLY106H, GLY139H, GLY158L, GLY41L, GLY42H, GLY44H, GLY49H, GLY95L, GLY96H, GLY99H, GLY99L, HIS164H, ILE136L, ILE47L, ILE48L, ILE94H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU178L, LEU180L, LEU45H, LEU46L, LEU95H, LYS117H, LYS129H, LYS129L, LYS143H, LYS166L, LYS171L, LYS209H, LYS210H, LYS214H, LYS218H, LYS39L, LYS43H, LYS53L, MET100H, MET48H, MET89H, PHE118L, PHE122H, PHE139L, PHE166H, PHE50H, PHE63H, PHE95L, PHE96L, PHE97H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO41H, PRO44L, PRO55L, PRO61H, SER120H, SER121L, SER122L, SER127H, SER128H, SER137L, SER165L, SER168L, SER172H, SER173H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER1L, SER215H, SER56L, SER60H, SER62H, SER90L, THR100L, THR114L, THR116L, THR131L, THR135H, THR161L, THR162L, THR163L, THR165H, THR183H, THR219H, THR91L, THR95L, TRP103H, TRP33H, TRP35L, TRP36H, TRP47H, TRP98H, TYR172L, TYR176H, TYR177L, TYR2L, TYR32L, TYR34L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR89L, TYR91H, VAL102H, VAL115L, VAL121H, VAL133L, VAL142H, VAL159L, VAL169H, VAL181H, VAL182H, VAL206L, VAL211H, VAL37H, VAL45L, VAL97L
• L-P: ALA27L, ALA316P, ALA319P, ALA33L, ARG308P, ARG66L, ASN92L, ASP51L, GLN315P, GLU30L, GLU50L, GLY312P, GLY314P, GLY94L, GLY95L, ILE307P, ILE309P, LEU28L, LYS31L, LYS53L, PHE317P, PHE95L, PHE96L, PRO29L, PRO313P, SER90L, SER93L, THR320P, THR91L, THR95L, TYR318P, TYR32L, TYR34L, TYR49L, TYR89L, VAL97L
• H-P: ALA100H, ALA316P, ALA319P, ALA53H, ARG100H, ARG304P, ARG308P, ARG58H, ASN100H, ASP54H, ASP56H, GLY100H, GLY312P, GLY321P, GLY49H, GLY96H, GLY99H, ILE307P, ILE309P, ILE51H, LEU95H, LYS305P, PHE29H, PHE317P, PHE50H, PHE97H, PRO52H, SER28H, SER306P, SER30H, SER31H, SER55H, SER60H, THR303P, THR320P, THR57H, TRP33H, TRP47H, TRP98H, TYR27H, TYR318P, TYR32H, TYR52H, TYR59H