3P30

crystal structure of the cluster ii fab 1281 in complex with hiv-1 gp41 ectodomain

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 45
  • Norm. En. per Res.: -2.7873
• Hub Node: A(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
A-L	-8.6272	4.7137	-62.3284	-66.2419	27	0	1	2282	0	9	7
A-H	-23.8372	-0.3221	-101.268	-125.4273	45	4	0	4131	4	12	9
L-H	-16.6621	-28.2602	-436.069	-480.9913	183	6	9	17939	1	20	21

Interface residues

• A-L: ARG54L, ASN51L, ASN52L, GLU644A, GLU647A, GLU648A, GLY57L, GLY64L, HIS640A, ILE48L, ILE53L, ILE641A, ILE642A, ILE646A, LEU46L, LEU645A, LYS50L, LYS651A, PRO55L, SER56L, SER636A, SER63L, THR639A, TYR32L, TYR49L, TYR643A, VAL58L
• A-H: ALA1H, ALA24H, ALA27H, ARG94H, ARG96H, ARG98H, ASN656A, ASN76H, ASP101H, ASP95H, GLN3H, GLN551A, GLN650A, GLN652A, GLN653A, GLN658A, GLU100H, GLU644A, GLU647A, GLU648A, GLU654A, GLU657A, GLU659A, GLY26H, ILE642A, ILE646A, LEU2H, LEU555A, LEU645A, LEU661A, LYS651A, LYS655A, PHE29H, PRO102H, SER100H, SER25H, SER30H, SER31H, SER649A, SER97H, THR28H, TRP100H, TYR32H, TYR643A, VAL99H
• L-H: ALA100L, ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA168H, ALA173L, ALA174L, ALA207L, ALA40H, ALA43L, ALA60H, ALA89L, ALA90L, ARG100H, ARG38H, ARG54L, ARG94H, ARG96H, ARG98H, ASN169L, ASN30L, ASN31L, ASP100H, ASP101H, ASP138L, ASP85L, ASP92L, ASP93L, ASP95H, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN126L, GLN167L, GLN171H, GLN38L, GLN39H, GLN43H, GLN46H, GLN61H, GLN62H, GLN64H, GLN6H, GLN6L, GLU100H, GLU123L, GLU124L, GLU160L, GLU212H, GLY100H, GLY101L, GLY104H, GLY106H, GLY139H, GLY158L, GLY41L, GLY42H, GLY44H, GLY49H, GLY50H, GLY95L, GLY99L, HIS164H, ILE136L, ILE48L, ILE53L, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU178H, LEU178L, LEU180L, LEU39L, LEU46L, LEU47L, LEU95L, LYS129H, LYS129L, LYS143H, LYS166L, LYS171L, LYS204L, LYS209H, LYS210H, LYS45L, LYS50L, LYS58H, MET48H, PHE100H, PHE118L, PHE122H, PHE139L, PHE166H, PHE98L, PRO102H, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO41H, PRO44L, PRO45H, PRO55L, PRO95L, SER100H, SER114L, SER120H, SER121L, SER122L, SER127H, SER128H, SER130H, SER137L, SER165L, SER168L, SER172H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER33H, SER35H, SER56L, SER95L, SER97H, THR116L, THR131H, THR131L, THR161L, THR162L, THR163L, THR165H, THR183H, THR205L, THR42L, THR93H, TRP100H, TRP103H, TRP36H, TRP47H, TRP91L, TYR100H, TYR172L, TYR176H, TYR177L, TYR32L, TYR34L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR96L, VAL115L, VAL121H, VAL133L, VAL142H, VAL159L, VAL169H, VAL181H, VAL182H, VAL206L, VAL207H, VAL211H, VAL37H, VAL3L, VAL89H, VAL97L, VAL99H