2QHR

crystal structure of the 13f6-1-2 fab fragment bound to its ebola virus glycoprotein peptide epitope.

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 39
  • Norm. En. per Res.: -7.2587
• Hub Node: H(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
H-L	-66.4509	-48.9794	-572.165	-687.5953	196	15	13	21869	7	28	28
H-P	-64.0226	-14.574	-204.493	-283.0896	39	12	0	6518	1	13	14
L-P	-24.4865	-14.2044	-96.3827	-135.0736	34	3	0	3356	1	17	12

Interface residues

• H-L: ALA100H, ALA125H, ALA131L, ALA168H, ALA174L, ALA209L, ALA49H, ARG38H, ARG44H, ARG45L, ARG94H, ASN139L, ASN164L, ASP101H, ASP130H, ASP161L, ASP33H, ASP56L, ASP61H, ASP92L, CYS128H, CYS135L, CYS140H, CYS88L, CYS92H, GLN105H, GLN171H, GLN37L, GLN38L, GLN39H, GLN7L, GLN95L, GLU124L, GLU125L, GLU128L, GLU168L, GLU210L, GLU211H, GLU34L, GLU42H, GLU46H, GLU49L, GLU6H, GLU95L, GLY100L, GLY101L, GLY104H, GLY106H, GLY129H, GLY139H, GLY144H, GLY159L, GLY55L, GLY57L, GLY89L, GLY91L, GLY99L, HIS100H, HIS164H, HIS179L, HIS95H, ILE137L, ILE210H, ILE33L, ILE51H, ILE85L, ILE87L, ILE94L, ILE96H, LEU116L, LEU124H, LEU126L, LEU133L, LEU136L, LEU138H, LEU141H, LEU170H, LEU177H, LEU180L, LEU206L, LEU3L, LEU41L, LEU45H, LEU50L, LEU5L, LYS103L, LYS127L, LYS130L, LYS143H, LYS167L, LYS204L, LYS208H, LYS42L, LYS43H, LYS51L, LYS52L, LYS64H, LYS95L, MET100H, MET173L, MET34H, MET48L, MET89H, PHE119L, PHE140L, PHE166H, PHE172L, PHE177L, PHE95L, PHE98L, PRO120L, PRO121L, PRO123H, PRO126H, PRO165L, PRO167H, PRO208L, PRO212H, PRO40L, PRO43L, PRO44L, PRO60H, SER100H, SER120H, SER122L, SER123L, SER138L, SER163L, SER172H, SER175L, SER176L, SER178H, SER179H, SER180H, SER205L, SER207L, SER35H, SER54L, SER93H, SER9L, THR115L, THR117L, THR131H, THR132H, THR132L, THR137H, THR162L, THR165H, THR166L, THR176H, THR182H, THR30L, THR32L, THR54L, THR57H, THR6L, THR93L, TRP103H, TRP154H, TRP185L, TRP35L, TRP36H, TRP47H, TYR100H, TYR102H, TYR122H, TYR31L, TYR36L, TYR46L, TYR50H, TYR56H, TYR58H, TYR59H, TYR86L, TYR91H, TYR96L, VAL118L, VAL121H, VAL127H, VAL134L, VAL136H, VAL142H, VAL160L, VAL163H, VAL169H, VAL181H, VAL206H, VAL2H, VAL37H, VAL47L, VAL48H, VAL4H, VAL4L, VAL90L, VAL95L, VAL97L
• H-P: ALA100H, ARG409P, ARG410P, ARG52H, ARG71H, ARG94H, ASN413P, ASN73H, ASP33H, ASP412P, ASP414P, GLN406P, GLU405P, GLY53H, GLY54H, GLY55H, GLY99H, HIS100H, HIS407P, HIS408P, HIS95H, ILE51H, ILE96H, MET100H, MET34H, SER100H, SER30H, SER31H, SER35H, SER52H, THR411P, THR57H, TYR100H, TYR32H, TYR50H, TYR56H, TYR58H, TYR97H, TYR98H
• L-P: ARG27L, ARG409P, ARG410P, ASP92L, GLN27L, GLN406P, GLN95L, GLU34L, GLU405P, GLU49L, GLU95L, GLY89L, GLY91L, HIS28L, HIS407P, HIS408P, ILE33L, ILE94L, LEU25L, LEU3L, LEU5L, LYS51L, LYS52L, LYS95L, PHE95L, SER29L, THR30L, THR32L, THR93L, TYR31L, TYR96L, VAL404P, VAL90L, VAL95L