2QSC

crystal structure analysis of anti-hiv-1 v3-fab f425-b4e8 in complex with a v3-peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-P
  • Int. Res.: 26
  • Norm. En. per Res.: -4.8719
• 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	-12.3722	-15.3735	405.836	378.0903	190	17	17	18693	1	16	15
L-P	-13.8965	-23.4731	-89.2999	-126.6695	26	2	4	2844	2	6	0
H-P	-15.2383	0.0	-94.3249	-109.5632	41	2	7	3715	0	7	4

Interface residues

• L-H: ALA100H, ALA125H, ALA130L, ALA138H, ALA139H, ALA176H, ALA43L, ALA50H, ALA60H, ALA93H, ARG38H, ARG94H, ARG96H, ASN100H, ASN137L, ASN138L, ASN158L, ASN210L, ASN31L, ASN34L, ASN53L, ASN61H, ASN93L, ASP101H, ASP122L, ASP146H, ASP167L, ASP170L, ASP92L, ASP95H, ASP95L, CYS127H, CYS134L, CYS142H, CYS214L, CYS88L, CYS92H, GLN105H, GLN124L, GLN160L, GLN179H, GLN1H, GLN37L, GLN39H, GLN3H, GLN43H, GLN6H, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU213L, GLU226H, GLU46H, GLU55L, GLU99H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY128L, GLY141H, GLY157L, GLY169H, GLY183H, GLY41L, GLY44H, GLY95L, GLY99L, HIS172H, HIS35H, HIS38L, HIS59H, ILE117L, ILE48L, ILE51H, LEU124H, LEU125L, LEU135L, LEU136L, LEU140H, LEU143H, LEU175L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU33L, LEU45H, LEU46L, LEU47L, LEU48H, LEU4H, LEU54L, LEU94L, LEU96L, LYS126L, LYS145H, LYS169L, LYS221H, LYS39L, LYS42L, LYS45L, MET34H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE174H, PHE209L, PHE87L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO194H, PRO40L, PRO44L, SER100H, SER114L, SER120H, SER121L, SER127L, SER131L, SER159L, SER162L, SER168H, SER174L, SER176L, SER177L, SER180H, SER182H, SER186H, SER188H, SER189H, SER208L, SER49H, SER97L, THR100H, THR129L, THR137H, THR153H, THR164L, THR172L, THR173H, THR178L, THR180L, THR192H, THR222H, THR50L, THR56L, THR57H, THR85L, TRP103H, TRP35L, TRP36H, TYR173L, TYR185H, TYR32L, TYR36L, TYR47H, TYR49L, TYR58H, TYR91H, TYR91L, TYR97H, TYR98H, VAL102H, VAL115L, VAL121H, VAL132L, VAL133L, VAL144H, VAL163L, VAL171H, VAL177H, VAL190H, VAL191H, VAL193H, VAL223H, VAL33H, VAL37H, VAL5H, VAL89H
• L-P: ALA316P, ARG306P, ARG315P, ASN31L, ASN34L, ASN93L, ASP92L, ASP95L, GLN90L, GLY312P, GLY314P, GLY95L, HIS308P, ILE29L, ILE307P, ILE309P, LEU94L, LEU96L, PHE317P, PRO313P, SER30L, THR319P, THR50L, TYR318P, TYR32L, TYR91L
• H-P: ALA100H, ALA316P, ALA50H, ARG315P, ARG71H, ARG96H, ASN100H, ASP53H, ASP95H, GLU55H, GLU99H, GLY100H, GLY312P, GLY314P, GLY54H, HIS308P, HIS35H, HIS59H, ILE307P, ILE309P, ILE51H, LYS64H, MET34H, PHE100H, PHE317P, PRO313P, SER100H, SER31H, SER49H, SER52H, THR319P, THR320P, THR56H, THR57H, TYR318P, TYR32H, TYR47H, TYR58H, TYR97H, TYR98H, VAL33H