3IFL

x-ray structure of amyloid beta peptide:antibody (abeta1- 7:12a11) complex

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: L-P
  • Int. Res.: 27
  • Norm. En. per Res.: -6.7638
• 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	-32.454	-11.8933	-496.511	-540.8583	186	12	13	19338	5	17	12
L-P	-59.8378	-17.5614	-105.224	-182.6232	27	5	3	3033	3	7	7
H-P	-10.6359	-32.2887	-91.219	-134.1436	32	1	1	2771	7	12	12

Interface residues

• L-H: ALA104H, ALA105L, ALA108H, ALA132H, ALA135L, ALA136H, ALA175H, ALA51H, ALA98H, ARG100H, ARG216L, ARG220H, ARG40H, ARG59L, ARG99H, ASN142L, ASN143L, ASN166L, ASN215L, ASN217L, ASN33L, ASN35L, ASN58L, ASN62H, ASP105H, ASP170L, ASP172L, ASP175L, ASP1L, CYS139L, CYS147H, CYS93L, CYS97H, GLN112H, GLN129L, GLN171L, GLN178H, GLN41H, GLN43L, GLN47L, GLN95L, GLU128L, GLU218L, GLU39L, GLU48H, GLU6H, GLY104L, GLY106L, GLY111H, GLY113H, GLY133L, GLY134H, GLY134L, GLY146H, GLY163L, GLY169H, GLY37H, GLY46H, GLY46L, HIS171H, HIS52H, HIS98L, ILE122L, ILE217H, ILE39H, ILE53L, ILE90L, LEU101L, LEU130L, LEU131H, LEU141L, LEU145H, LEU148H, LEU165L, LEU177H, LEU181H, LEU184H, LEU184L, LEU186L, LEU38L, LEU42L, LEU47H, LEU50H, LEU51L, LEU52L, LEU65H, LYS150H, LYS174L, LYS212L, LYS215H, LYS216H, LYS50L, LYS55L, LYS59H, MET142H, MET180L, PHE103L, PHE107H, PHE123L, PHE140L, PHE144L, PHE173H, PHE214L, PHE60L, PHE94L, PRO100L, PRO124L, PRO125L, PRO130H, PRO133H, PRO174H, PRO219H, PRO49L, PRO63H, SER121L, SER126L, SER127H, SER127L, SER132L, SER135H, SER136L, SER167L, SER168H, SER173L, SER179H, SER179L, SER181L, SER182L, SER185H, SER186H, SER187H, SER213L, SER35H, SER48L, SER61L, SER64H, SER96L, SER97L, THR102H, THR102L, THR103H, THR119L, THR131L, THR144H, THR169L, THR172H, THR177L, THR183H, THR183L, THR185L, THR189H, THR94H, TRP110H, TRP161H, TRP168L, TRP195H, TRP38H, TRP40L, TRP49H, TRP54H, TYR106H, TYR109H, TYR129H, TYR178L, TYR182H, TYR191L, TYR37L, TYR41L, TYR54L, TYR60H, TYR61H, TYR91L, TYR92L, TYR96H, VAL120L, VAL128H, VAL137L, VAL138L, VAL143H, VAL149H, VAL164L, VAL170H, VAL176H, VAL188H, VAL218H, VAL99L
• L-P: ALA2P, ARG5P, ASN33L, ASN35L, ASP1P, ASP7P, GLN27L, GLN95L, GLU39L, GLU3P, GLY34L, HIS31L, HIS6P, HIS98L, ILE29L, LEU101L, LYS55L, PHE4P, PHE94L, PRO100L, SER32L, SER96L, SER97L, TYR37L, VAL2L, VAL30L, VAL99L
• H-P: ALA2P, ALA51H, ARG100H, ARG5P, ASP105H, ASP56H, ASP57H, ASP58H, ASP7P, GLU3P, GLY33H, GLY37H, HIS52H, HIS6P, ILE53H, LYS59H, MET34H, PHE107H, PHE4P, PRO63H, SER32H, SER35H, THR101H, THR102H, THR103H, TRP49H, TRP54H, TRP55H, TYR106H, TYR60H, TYR61H, VAL36H