3F58

igg1 fab fragment (58.2) complex with 12-residue cyclic peptide (including residues 315-324 of hiv-1 gp120 (mn isolate); h315s mutation

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-P
  • Int. Res.: 25
  • Norm. En. per Res.: -5.0711
• 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	-30.5095	-0.9505	-455.322	-486.782	195	26	11	19495	0	18	15
L-P	-23.4389	-18.3961	-84.9422	-126.7773	25	4	0	2861	1	5	1
H-P	-7.4647	-38.6992	-83.0445	-129.2084	29	2	1	3334	4	2	2

Interface residues

• L-H: ALA100H, ALA100L, ALA125H, ALA130L, ALA176H, ALA30L, ALA50L, ALA51L, ALA84L, ALA93H, ALA97H, ARG199H, ARG228H, ARG38H, ARG94H, ASN137L, ASN138L, ASN157L, ASN161L, ASN34L, ASN43H, ASN58H, ASN60H, ASP101H, ASP165L, ASP167L, ASP170L, ASP1L, ASP229H, ASP28L, ASP94L, CYS102H, CYS134L, CYS142H, CYS230H, CYS88L, CYS92H, GLN105H, GLN124L, GLN179H, GLN38L, GLN39H, GLN42L, GLN6H, GLN89L, GLN90L, GLU123L, GLU46H, GLU55L, GLU93L, GLU95H, GLU96H, GLY100H, GLY101L, GLY104H, GLY106H, GLY127H, GLY129L, GLY141H, GLY158L, GLY169H, GLY29L, GLY41L, GLY42H, GLY49H, GLY99L, HIS172H, HIS35H, HIS92L, ILE117L, ILE223H, ILE37H, ILE48L, LEU124H, LEU125L, LEU136L, LEU140H, LEU143H, LEU160L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU45H, LEU46L, LEU47L, LEU54L, LEU63H, LEU96L, LYS103L, LYS145H, LYS169L, LYS207L, LYS221H, LYS222H, LYS39L, LYS44H, LYS45L, MET100H, MET137H, MET175L, MET33L, MET48H, MET98H, PHE118L, PHE135L, PHE139L, PHE174H, PHE209L, PHE27L, PHE32L, PHE49L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO40L, PRO43L, PRO44L, PRO61H, PRO95L, PRO99H, SER116L, SER120H, SER121L, SER122L, SER127L, SER128H, SER131L, SER136H, SER162L, SER167H, SER168H, SER174L, SER176L, SER177L, SER180H, SER188H, SER189H, SER190H, SER208L, SER31L, SER34H, SER52L, SER56L, SER62H, SER91L, THR114L, THR126L, THR134H, THR139H, THR164L, THR172L, THR173H, THR178L, THR180L, THR186H, THR192H, THR53L, THR85L, THR89H, THR97L, TRP103H, TRP157H, TRP163L, TRP35L, TRP36H, TRP47H, TYR100H, TYR122H, TYR173L, TYR185H, TYR186L, TYR33H, TYR36L, TYR50H, TYR59H, TYR86L, TYR87L, TYR91H, VAL115L, VAL121H, VAL132L, VAL133L, VAL138H, VAL144H, VAL159L, VAL171H, VAL177H, VAL191H, VAL226H, VAL27L
• L-P: ALA30L, ALA323P, ARG322P, ASN34L, ASP27L, ASP28L, ASP94L, GLN89L, GLN90L, GLU93L, GLY27L, GLY319P, GLY321P, HIS92L, ILE2L, ILE316P, LEU96L, PHE27L, PHE324P, PHE32L, PRO320P, PRO95L, SER315P, SER91L, VAL27L
• H-P: ALA100H, ALA323P, ALA55H, ALA97H, ARG322P, ASN58H, GLU95H, GLY10P, GLY11P, GLY12P, GLY319P, GLY321P, GLY56H, HIS35H, HIS52H, ILE316P, ILE51H, MET100H, PHE324P, SER315P, SER34H, SER54H, THR57H, TRP47H, TYR100H, TYR33H, TYR50H, TYR53H, TYR59H