3FN0

crystal structure of hiv-1 neutralizing human fab z13e1 in complex with a 12-residue peptide containing the z13e1 epitope on gp41

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 37
  • Norm. En. per Res.: -6.5112
• 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	-41.498	-19.7279	-529.789	-591.0149	193	20	10	20641	1	18	18
L-P	0.0	0.0	-4.1433	-4.1433	7	0	0	236	0	1	1
H-P	-49.0426	-25.7224	-166.148	-240.9129	37	6	2	6935	2	3	2

Interface residues

• L-H: ALA125H, ALA130L, ALA136H, ALA137H, ALA176H, ALA43L, ALA51L, ALA55L, ALA90L, ALA93H, ALA96H, ARG31L, ARG38H, ARG44H, ARG45L, ARG91L, ARG94H, ASN100H, ASN137L, ASN138L, ASN32L, ASN53L, ASN60H, ASP101H, ASP122L, ASP146H, ASP167L, ASP170L, ASP50L, CYS134L, CYS142H, CYS88L, CYS92H, GLN100L, GLN124L, GLN160L, GLN166L, GLN179H, GLN38L, GLN39H, GLN42L, GLN46H, GLN6L, GLN89L, GLN96L, GLU123L, GLU161L, GLU165L, GLU3L, GLU43H, GLU6H, GLY100H, GLY101L, GLY104H, GLY106H, GLY141H, GLY157L, GLY169H, GLY183H, GLY30L, GLY34L, GLY41L, GLY42H, GLY49H, GLY98H, GLY99L, HIS172H, HIS50H, ILE117L, ILE37H, ILE48L, ILE89H, ILE97H, LEU100H, LEU124H, LEU125L, LEU135L, LEU136L, LEU140H, LEU143H, LEU175L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU33L, LEU46L, LEU47L, LEU48H, LEU4L, LEU63H, LEU92L, LEU93L, LEU94L, LYS126L, LYS129H, LYS145H, LYS169L, LYS207L, LYS221H, LYS222H, LYS58H, MET100H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE174H, PHE209L, PHE71L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO40H, PRO40L, PRO44L, PRO45H, PRO61H, PRO95L, SER100H, SER105H, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER131L, SER159L, SER162L, SER168H, SER168L, SER171L, SER174L, SER176L, SER177L, SER180H, SER182H, SER186H, SER188H, SER189H, SER195H, SER208L, SER28L, SER35H, SER52L, SER62H, THR129L, THR135H, THR164L, THR172L, THR173H, THR178L, THR180L, THR192H, THR56L, THR5L, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TYR100H, TYR173L, TYR185H, TYR33H, TYR36L, TYR49L, TYR59H, TYR87L, TYR91H, VAL102H, VAL115L, VAL121H, VAL132L, VAL133L, VAL144H, VAL163L, VAL171H, VAL177H, VAL190H, VAL191H, VAL193H, VAL223H, VAL29L, VAL85L, VAL95H, VAL99H
• L-P: ARG91L, ASN677P, ASP674P, ILE675P, LEU92L, LEU93L, THR676P
• H-P: ALA96H, ARG71H, ASN100H, ASN31H, ASN671P, ASN677P, ASP674P, GLY100H, GLY54H, GLY55H, GLY98H, HIS50H, ILE30H, ILE51H, ILE52H, ILE675P, ILE73H, ILE97H, LEU100H, LYS58H, LYS678P, MET29H, PHE673P, SER100H, THR56H, THR57H, THR676P, TRP47H, TRP670P, TRP672P, TYR100H, TYR32H, TYR33H, TYR53H, TYR59H, VAL95H, VAL99H