2B1A

crystal structure analysis of anti-hiv-1 v3 fab 2219 in complex with ug1033 peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 45
  • Norm. En. per Res.: -6.8936
• 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	-67.4297	-28.4237	-487.525	-583.3784	188	15	14	18597	7	30	24
L-P	-21.6093	-1.5272	-98.0952	-121.2317	34	5	1	3592	0	7	3
H-P	-56.1996	-70.7249	-183.287	-310.2115	45	13	1	5750	9	22	5

Interface residues

• L-H: ALA100H, ALA125H, ALA127L, ALA130L, ALA138H, ALA139H, ALA174L, ALA175L, ALA176H, ALA210L, ALA43L, ALA89L, ALA90L, ALA93H, ARG38H, ARG50L, ARG54L, ARG58H, ARG94H, ARG95L, ASN128L, ASN170L, ASP100H, ASP101H, ASP138L, ASP146H, ASP85L, ASP92L, ASP93L, ASP95L, ASP98H, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN126L, GLN167L, GLN179H, GLN37L, GLN39H, GLN6H, GLU100H, GLU123L, GLU124L, GLU160L, GLU226H, GLU46H, GLU64H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY141H, GLY158L, GLY183H, GLY35H, GLY41L, GLY42H, GLY44H, GLY49H, GLY95L, GLY96H, GLY97H, GLY99L, HIS172H, HIS38L, HIS53L, ILE136L, ILE48L, ILE50H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU140H, LEU143H, LEU178H, LEU181L, LEU184H, LEU187H, LEU39L, LEU45H, LEU46L, LEU89H, LEU95H, LYS129L, LYS145H, LYS166L, LYS172L, LYS207L, LYS221H, LYS222H, LYS228H, LYS43H, LYS45L, MET48H, PHE100H, PHE102H, PHE118L, PHE122H, PHE139L, PHE174H, PHE63H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO175H, PRO211L, PRO40L, PRO41H, PRO44L, PRO61H, PRO95L, SER100H, SER114L, SER120H, SER121L, SER122L, SER127H, SER128H, SER137L, SER165L, SER168L, SER176L, SER177L, SER180H, SER180L, SER182H, SER186H, SER188H, SER189H, SER229H, SER2L, SER55L, SER56L, SER60H, SER62H, SER94L, THR116L, THR131L, THR161L, THR162L, THR163L, THR173H, THR192H, THR208L, THR212L, THR42L, TRP103H, TRP186L, TRP33H, TRP35L, TRP36H, TRP47H, TRP91L, TRP96L, TYR147H, TYR173L, TYR178L, TYR185H, TYR32L, TYR34L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR99H, VAL115L, VAL121H, VAL133L, VAL144H, VAL159L, VAL177H, VAL190H, VAL191H, VAL209L, VAL225H, VAL33L, VAL37H, VAL97L
• L-P: ALA316P, ALA90L, ARG304P, ARG315P, ARG50L, ARG95L, ASN27L, ASN30L, ASN31L, ASN51L, ASP92L, ASP93L, ASP95L, GLU29L, GLY312P, GLY314P, GLY95L, HIS308P, HIS53L, ILE307P, LEU309P, LYS305P, LYS66L, PHE317P, PRO313P, PRO95L, SER27L, SER306P, TRP91L, TRP96L, TYR318P, TYR32L, TYR34L, VAL33L
• H-P: ALA100H, ALA316P, ALA319P, ARG304P, ARG315P, ARG58H, ARG94H, ASP100H, ASP31H, ASP54H, ASP56H, ASP98H, GLU100H, GLY100H, GLY312P, GLY314P, GLY53H, GLY96H, GLY97H, HIS308P, ILE307P, ILE50H, LEU309P, LEU95H, LYS305P, PHE100H, PHE317P, PHE51H, PRO313P, PRO52H, SER100H, SER28H, SER306P, SER30H, SER55H, SER57H, THR303P, THR320P, TRP33H, TRP47H, TYR27H, TYR318P, TYR32H, TYR52H, TYR99H