3IFO

x-ray structure of amyloid beta peptide:antibody (abeta1- 7:10d5) complex

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: B-Q
  • Int. Res.: 26
  • Norm. En. per Res.: -7.089
• Hub Node: H(4)

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	-41.029	-51.2253	-504.956	-597.2103	189	13	11	19717	5	22	17
H-P	-8.8554	-22.4273	-108.322	-139.6047	34	3	0	3431	6	14	12
H-A	0.0	-6.3325	-41.1564	-47.4889	31	3	0	1793	0	11	2
H-B	0.0	-2.7892	-14.9321	-17.7213	31	2	0	1282	0	5	6
L-P	-57.9532	-24.6334	-94.1085	-176.6952	25	6	3	2796	3	5	6
L-A	0.0	0.0	-6.725	-6.725	12	1	0	454	0	3	2
L-B	-19.2299	-6.8843	-78.1409	-104.2551	76	3	0	4055	0	16	19
P-A	0.0	0.0	-0.1581	-0.1581	3	0	0	46	0	1	0
A-B	-43.6972	-56.0875	-500.276	-600.0607	189	10	10	19423	6	22	19
A-Q	-8.5135	-30.1572	-106.537	-145.2077	33	3	0	3279	6	14	13
B-Q	-53.5141	-26.8322	-103.968	-184.3143	26	7	3	2950	2	5	6

Interface residues

• H-L: ALA105L, ALA109H, ALA135H, ALA135L, ALA178H, ALA2H, ALA51H, ARG100H, ARG216L, ARG223H, ARG40H, ARG59L, ARG60H, ARG99H, ASN142L, ASN143L, ASN166L, ASN217L, ASN33L, ASN35L, ASN58L, ASN62H, ASP108H, ASP111H, ASP170L, ASP172L, ASP175L, ASP1L, CYS139L, CYS150H, CYS93L, CYS97H, GLN115H, GLN129L, GLN181H, GLN1H, GLN41H, GLN43L, GLN47L, GLN6L, GLN95L, GLU128L, GLU218L, GLU39L, GLU48H, GLU6H, GLY104L, GLY106L, GLY114H, GLY116H, GLY134L, GLY149H, GLY163L, GLY172H, GLY44H, GLY46H, GLY46L, GLY96L, HIS174H, HIS31L, HIS52H, HIS98L, ILE102H, ILE122L, ILE220H, ILE39H, ILE53L, ILE90L, LEU101L, LEU106H, LEU130L, LEU134H, LEU141L, LEU148H, LEU151H, LEU165L, LEU180H, LEU184H, LEU184L, LEU186L, LEU187H, LEU38L, LEU42L, LEU47H, LEU50H, LEU51L, LEU52L, LEU65H, LYS108L, LYS153H, LYS174L, LYS218H, LYS219H, LYS45H, LYS50L, LYS55L, LYS66H, MET110H, MET145H, MET180L, PHE103L, PHE123L, PHE140L, PHE144L, PHE176H, PHE60L, PHE94L, PRO100L, PRO101H, PRO124L, PRO125L, PRO133H, PRO136H, PRO177H, PRO222H, PRO42H, PRO49L, PRO63H, SER121L, SER126L, SER127L, SER130H, SER132L, SER136L, SER167L, SER170H, SER171H, SER173L, SER179L, SER181L, SER182H, SER182L, SER188H, SER189H, SER190H, SER37H, SER48L, SER61L, SER64H, SER97L, THR102L, THR103H, THR119L, THR131L, THR147H, THR169L, THR175H, THR177L, THR183L, THR185L, THR186H, THR192H, THR36L, THR94H, TRP113H, TRP164H, TRP168L, TRP198H, TRP38H, TRP40L, TRP49H, TYR112H, TYR132H, TYR178L, TYR185H, TYR37L, TYR41L, TYR54H, TYR54L, TYR61H, TYR91L, TYR92L, TYR96H, VAL105H, VAL107H, VAL120L, VAL131H, VAL137L, VAL138L, VAL146H, VAL152H, VAL164L, VAL173H, VAL179H, VAL191H, VAL216H, VAL221H, VAL98H, VAL99L
• H-P: ALA109H, ALA2P, ALA51H, ARG100H, ARG5P, ARG60H, ASP108H, ASP56H, ASP57H, ASP58H, ASP7P, GLU3P, GLY33H, GLY35H, HIS52H, HIS6P, ILE102H, ILE53H, LYS59H, LYS66H, MET34H, PHE4P, PRO101H, PRO104H, PRO63H, SER32H, SER37H, THR103H, TRP49H, TRP55H, TYR54H, TYR61H, VAL105H, VAL36H
• H-A: ALA124A, ALA90A, ARG68H, ASN62H, ASP183A, ASP88A, ASP91A, GLN13A, GLN16A, GLN181A, GLU48H, LEU180A, LEU184A, LEU65H, LEU69H, LYS66H, PRO63H, PRO89A, SER122A, SER123A, SER14A, SER15A, SER182A, SER64H, SER67H, SER86A, THR85H, THR92A, TYR61H, VAL121A, VAL87A
• H-B: ALA90H, ALA93H, ARG160B, ARG193B, ARG40H, ASN162B, ASP183H, ASP91H, GLN161B, GLN181H, GLU159B, GLU190B, GLY157B, GLY163B, GLY44H, GLY46H, HIS194B, LEU165B, LEU180H, LEU184H, LYS152B, LYS154B, LYS45H, PRO42H, PRO89H, SER158B, SER182H, SER43H, THR92H, VAL164B, VAL179H
• L-P: ALA2P, ARG5P, ASN33L, ASN35L, ASP7P, GLN27L, GLN95L, GLU39L, GLU3P, GLY34L, GLY96L, HIS31L, HIS6P, HIS98L, ILE29L, ILE30L, LEU101L, LYS55L, PHE4P, PHE94L, PRO100L, SER32L, SER97L, TYR37L, VAL99L
• L-A: ALA124A, ASP183A, ASP1L, GLN181A, GLN27L, LEU184A, LYS125A, PRO100L, SER123A, SER182A, THR102L, VAL99L
• L-B: ALA105L, ALA201B, ARG160L, ARG193B, ARG193L, ARG216B, ASN150L, ASN162L, ASN166L, ASN195B, ASN215B, ASN217B, ASP148L, ASP156B, ASP189B, CYS199B, GLN161L, GLN6L, GLU159B, GLU159L, GLU190B, GLU190L, GLU192B, GLU200B, GLU218B, GLY104L, GLY106L, GLY133B, GLY134B, GLY157B, GLY163L, HIS194B, ILE149L, ILE155B, ILE210B, LEU165L, LEU184L, LEU3L, LEU9L, LYS108L, LYS147L, LYS152B, LYS152L, LYS154B, LYS188B, LYS212B, MET180L, MET4L, PHE214B, PRO209B, PRO8L, SER10L, SER132B, SER158B, SER167L, SER182L, SER196B, SER208B, SER213B, THR183L, THR185L, THR187B, THR187L, THR198B, THR202B, THR202L, THR207B, THR5L, THR7L, TRP153L, TRP168L, TYR191B, TYR197B, VAL151L, VAL164L, VAL211B
• P-A: ALA2P, GLN13A, SER123A
• A-B: ALA105B, ALA109A, ALA135A, ALA135B, ALA178A, ALA2A, ALA51A, ARG100A, ARG223A, ARG40A, ARG59B, ARG60A, ARG99A, ASN142B, ASN143B, ASN166B, ASN33B, ASN35B, ASN58B, ASN62A, ASP108A, ASP111A, ASP170B, ASP172B, ASP175B, ASP1B, CYS139B, CYS150A, CYS93B, CYS97A, GLN115A, GLN129B, GLN171B, GLN181A, GLN41A, GLN43B, GLN47B, GLN6B, GLN95B, GLU128B, GLU218B, GLU39B, GLU48A, GLU6A, GLY104B, GLY106B, GLY114A, GLY116A, GLY133B, GLY134B, GLY149A, GLY163B, GLY172A, GLY44A, GLY46A, GLY46B, GLY96B, HIS174A, HIS31B, HIS52A, HIS98B, ILE102A, ILE122B, ILE220A, ILE39A, ILE53B, ILE90B, LEU101B, LEU106A, LEU130B, LEU134A, LEU141B, LEU148A, LEU151A, LEU165B, LEU180A, LEU184A, LEU184B, LEU186B, LEU187A, LEU38B, LEU42B, LEU47A, LEU50A, LEU51B, LEU52B, LEU65A, LYS108B, LYS147B, LYS153A, LYS174B, LYS218A, LYS219A, LYS45A, LYS50B, LYS55B, LYS66A, MET110A, MET145A, MET180B, PHE103B, PHE123B, PHE140B, PHE144B, PHE176A, PHE60B, PHE94B, PRO100B, PRO101A, PRO104A, PRO124B, PRO125B, PRO133A, PRO136A, PRO177A, PRO49B, PRO63A, SER121B, SER126B, SER127B, SER130A, SER132B, SER136B, SER167B, SER170A, SER171A, SER173B, SER179B, SER181B, SER182A, SER182B, SER188A, SER189A, SER190A, SER37A, SER48B, SER61B, SER64A, SER97B, THR102B, THR103A, THR119B, THR131B, THR147A, THR169B, THR175A, THR177B, THR183B, THR185B, THR186A, THR192A, THR36B, THR94A, TRP113A, TRP164A, TRP168B, TRP198A, TRP38A, TRP40B, TRP49A, TYR112A, TYR132A, TYR178B, TYR185A, TYR37B, TYR41B, TYR54A, TYR54B, TYR61A, TYR91B, TYR92B, TYR96A, VAL105A, VAL107A, VAL120B, VAL131A, VAL137B, VAL138B, VAL146A, VAL152A, VAL164B, VAL173A, VAL179A, VAL191A, VAL216A, VAL221A, VAL56B, VAL98A, VAL99B
• A-Q: ALA109A, ALA2Q, ALA51A, ARG100A, ARG5Q, ARG60A, ASP108A, ASP56A, ASP57A, ASP58A, ASP7Q, GLU3Q, GLY33A, GLY35A, HIS52A, HIS6Q, ILE102A, ILE53A, LYS59A, MET34A, PHE4Q, PRO101A, PRO104A, PRO63A, SER32A, SER37A, THR103A, TRP49A, TRP55A, TYR54A, TYR61A, VAL105A, VAL36A
• B-Q: ALA2Q, ARG5Q, ASN33B, ASN35B, ASP7Q, GLN27B, GLN95B, GLU39B, GLU3Q, GLY34B, GLY96B, HIS31B, HIS6Q, HIS98B, ILE29B, ILE30B, LEU101B, LYS55B, PHE4Q, PHE94B, PRO100B, SER32B, SER97B, TYR37B, VAL2B, VAL99B