3BAE

crystal structure of fab wo2 bound to the n terminal domain of amyloid beta peptide (1-28)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-A
  • Int. Res.: 25
  • Norm. En. per Res.: -5.4518
• 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	-59.0615	-29.7974	-542.755	-631.6139	184	13	7	20095	5	17	23
L-A	-27.0476	-8.0844	-101.162	-136.294	25	5	6	2894	2	5	5
H-A	-12.9806	14.9224	-104.131	-102.1891	33	7	0	3356	5	20	20

Interface residues

• L-H: ALA100L, ALA125H, ALA129L, ALA168H, ALA49H, ALA91L, ALA93H, ARG213H, ARG38H, ARG54L, ARG58H, ARG94H, ARG95H, ASN100H, ASN136L, ASN137L, ASN160L, ASN28L, ASN60H, ASP101H, ASP164L, ASP166L, ASP169L, ASP1L, CYS133L, CYS140H, CYS88L, CYS92H, GLN105H, GLN123L, GLN171H, GLN38L, GLN39H, GLN42L, GLN50L, GLN90L, GLU100H, GLU122L, GLU212L, GLU34L, GLU46H, GLU64H, GLU6H, GLY101L, GLY104H, GLY106H, GLY127L, GLY128L, GLY139H, GLY144H, GLY157L, GLY162H, GLY41L, GLY42H, GLY44H, GLY96H, GLY99L, HIS100H, HIS164H, HIS27L, HIS30L, HIS50H, ILE116L, ILE210H, ILE37H, ILE48L, LEU124H, LEU124L, LEU135L, LEU138H, LEU141H, LEU159L, LEU170H, LEU174H, LEU177H, LEU178L, LEU180L, LEU33L, LEU37L, LEU45H, LEU46L, LEU47L, LEU48H, LEU63H, LEU93L, LEU96L, LYS100H, LYS143H, LYS168L, LYS208H, LYS209H, LYS43H, LYS45L, LYS57H, MET174L, PHE100H, PHE117L, PHE134L, PHE138L, PHE166H, PHE208L, PHE55L, PHE89L, PHE97H, PHE98L, PRO118L, PRO119L, PRO123H, PRO126H, PRO167H, PRO40H, PRO44L, PRO61H, PRO95L, SER115L, SER120H, SER120L, SER121L, SER126L, SER130L, SER135H, SER161H, SER161L, SER172H, SER173L, SER175L, SER176L, SER178H, SER179H, SER180H, SER35H, SER43L, SER56L, SER62H, SER92L, THR113L, THR125L, THR137H, THR163L, THR165H, THR171L, THR176H, THR177L, THR179L, THR182H, THR53L, THR89H, THR97L, TRP103H, TRP154H, TRP162L, TRP188H, TRP35L, TRP36H, TRP47H, TYR100H, TYR102H, TYR122H, TYR172L, TYR175H, TYR185L, TYR32L, TYR36L, TYR49L, TYR52H, TYR59H, TYR86L, TYR87L, TYR91H, TYR98H, VAL100H, VAL114L, VAL121H, VAL131L, VAL132L, VAL136H, VAL142H, VAL158L, VAL163H, VAL169H, VAL181H, VAL211H, VAL85L, VAL94L
• L-A: ALA2A, ALA91L, ARG5A, ASN28L, ASP7A, GLN90L, GLU34L, GLU3A, GLY29L, HIS27L, HIS30L, HIS6A, ILE27L, LEU93L, LEU96L, PHE4A, PHE89L, PRO95L, SER27L, SER8A, SER92L, TYR32L, VAL27L, VAL2L, VAL94L
• H-A: ALA2A, ALA49H, ARG100H, ARG58H, ARG5A, ARG95H, ASN100H, ASP54H, ASP55H, ASP56H, ASP7A, GLU100H, GLU3A, GLY35H, HIS100H, HIS50H, HIS6A, ILE51H, LYS100H, LYS33H, LYS57H, PHE100H, PHE4A, PHE97H, SER35H, SER8A, TRP47H, TRP53H, TYR100H, TYR52H, TYR59H, VAL100H, VAL35H