3IXT

crystal structure of motavizumab fab bound to peptide epitope

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 45
  • Norm. En. per Res.: -3.496
• Hub Node: L(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
L-H	-15.1172	-23.2017	-443.009	-481.3279	186	17	14	17660	2	20	17
L-P	-16.7645	-16.8249	-55.982	-89.5714	28	1	0	1745	1	4	3
L-B	0.0	0.0	-2.5239	-2.5239	20	0	0	213	0	0	0
L-A	0.0	0.0	-3.1742	-3.1742	15	2	0	272	0	5	6
H-P	-18.0791	10.3995	-149.642	-157.3216	45	8	2	5760	0	9	8
H-B	0.0	-1.0505	-4.2183	-5.2688	15	1	0	328	0	5	6
H-A	-3.3337	0.0	-91.8387	-95.1724	53	5	0	3911	0	2	3
B-A	-21.6575	-22.5331	-455.325	-499.5156	183	22	15	17755	2	20	16
B-C	-16.3916	-15.0569	-49.3874	-80.8358	28	1	0	1632	1	4	3
A-C	-17.5729	10.566	-146.438	-153.445	44	8	2	5651	0	9	8

Interface residues

• L-H: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA43L, ALA44H, ALA49H, ALA55L, ALA93H, ARG142L, ARG38H, ARG94H, ASN137L, ASN138L, ASN60H, ASN99H, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, ASP50H, ASP50L, ASP95H, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN124L, GLN160L, GLN166L, GLN171H, GLN37L, GLN38L, GLN39H, GLN6L, GLN90L, GLU123L, GLU161L, GLU165L, GLU46H, GLU6H, GLY100L, GLY101L, GLY104H, GLY106H, GLY128L, GLY139H, GLY157L, GLY162H, GLY174H, GLY35H, GLY41L, GLY42H, GLY91L, GLY93L, GLY99L, HIS164H, HIS34L, HIS58H, ILE117L, ILE37H, ILE48L, ILE51H, ILE97H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU45H, LEU46L, LEU48H, LEU63H, LYS103L, LYS126L, LYS143H, LYS169L, LYS209H, LYS210H, LYS39L, LYS42L, LYS43H, LYS45L, LYS53L, LYS56H, LYS57H, MET33L, MET96H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE89L, PHE96L, PHE98H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40H, PRO40L, PRO44L, PRO61H, PRO95L, SER114L, SER120H, SER121L, SER127H, SER127L, SER131L, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER182L, SER186H, SER35H, SER56L, SER62H, SER92L, THR108H, THR129L, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR51L, THR85L, THR89H, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TRP52H, TYR100H, TYR173L, TYR176H, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR94L, VAL102H, VAL115L, VAL121H, VAL132L, VAL133L, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H
• L-P: ARG29L, ASN262P, ASN268P, ASN276P, ASP269P, ASP50L, GLN270P, GLN90L, GLY31L, GLY91L, GLY93L, HIS34L, ILE266P, LEU273P, LYS271P, LYS272P, LYS53L, MET33L, PHE89L, PHE96L, PRO95L, SER92L, THR267P, THR51L, TYR32L, TYR49L, TYR94L, VAL30L
• L-B: ASP1B, ASP1L, GLN3B, GLN3L, GLN6B, GLN6L, PRO8B, PRO8L, SER24B, SER24L, SER26B, SER26L, SER7B, SER7L, SER9B, SER9L, THR10B, THR10L, THR5B, THR5L
• L-A: ASN158L, ASN82A, ASP65A, GLN160L, GLN16A, GLU143L, GLU161L, GLY157L, LYS145L, PRO14A, SER156L, SER159L, THR15A, THR17A, THR82A
• H-P: ALA32H, ASN254P, ASN262P, ASN268P, ASN276P, ASN277P, ASN99H, ASP263P, ASP269P, ASP50H, ASP54H, ASP55H, ASP95H, GLN270P, GLU256P, GLY33H, HIS58H, ILE261P, ILE266P, ILE51H, ILE97H, LEU257P, LEU258P, LEU260P, LEU273P, LYS271P, LYS272P, LYS56H, MET264P, MET274P, MET34H, MET96H, PHE100H, PHE98H, PRO265P, SER255P, SER259P, SER275P, SER30H, SER35H, THR267P, THR31H, TRP52H, TRP53H, TYR100H
• H-B: ASN158B, ASN82H, ASP65H, GLN160B, GLN16H, GLU161B, GLY157B, LYS145B, MET82H, PRO14H, SER156B, SER159B, THR15H, THR17H, THR82H
• H-A: ALA114A, ALA114H, ALA85A, ALA85H, ASN82A, ASN82H, ASP83A, ASP83H, GLN16A, GLN16H, GLN171A, GLN171H, GLY174A, GLY174H, GLY42A, GLY42H, LEU170A, LEU170H, LEU175A, LEU175H, LYS13A, LYS13H, LYS43A, LYS43H, MET82A, MET82H, PHE146A, PHE146H, PRO14A, PRO14H, PRO40A, PRO41A, PRO41H, PRO84A, PRO84H, SER112A, SER112H, SER113A, SER113H, SER172A, SER172H, SER173A, SER173H, THR15A, THR15H, TYR176A, TYR176H, VAL111A, VAL111H, VAL12A, VAL12H, VAL169A, VAL169H
• B-A: ALA125A, ALA130B, ALA136A, ALA137A, ALA168A, ALA43B, ALA44A, ALA49A, ALA55B, ALA93A, ARG142B, ARG38A, ARG94A, ASN137B, ASN138B, ASN60A, ASN99A, ASP101A, ASP122B, ASP144A, ASP167B, ASP170B, ASP1B, ASP50A, ASP50B, ASP95A, CYS134B, CYS140A, CYS88B, CYS92A, GLN105A, GLN124B, GLN160B, GLN171A, GLN37B, GLN38B, GLN39A, GLN6B, GLN90B, GLU123B, GLU161B, GLU165B, GLU46A, GLU6A, GLY100B, GLY101B, GLY104A, GLY106A, GLY128B, GLY139A, GLY157B, GLY162A, GLY174A, GLY35A, GLY41B, GLY42A, GLY91B, GLY93B, GLY99B, HIS164A, HIS34B, HIS58A, ILE117B, ILE37A, ILE48B, ILE51A, ILE97A, LEU124A, LEU125B, LEU135B, LEU136B, LEU138A, LEU141A, LEU170A, LEU175A, LEU175B, LEU178A, LEU179B, LEU181B, LEU45A, LEU46B, LEU47B, LEU48A, LEU63A, LYS103B, LYS126B, LYS143A, LYS169B, LYS209A, LYS210A, LYS39B, LYS42B, LYS43A, LYS45B, LYS53B, LYS56A, LYS57A, MET33B, PHE100A, PHE116B, PHE118B, PHE122A, PHE139B, PHE166A, PHE89B, PHE96B, PHE98A, PHE98B, PRO119B, PRO120B, PRO123A, PRO126A, PRO167A, PRO40A, PRO40B, PRO44B, PRO61A, PRO95B, SER114B, SER120A, SER121B, SER127B, SER131B, SER159B, SER161A, SER162B, SER168B, SER172A, SER173A, SER174B, SER176B, SER177A, SER177B, SER179A, SER180A, SER182B, SER186A, SER35A, SER56B, SER62A, SER92B, THR108A, THR129B, THR135A, THR160A, THR164B, THR165A, THR172B, THR178B, THR180B, THR183A, THR51B, THR85B, THR89A, THR97B, TRP103A, TRP35B, TRP36A, TRP47A, TRP52A, TYR100A, TYR173B, TYR176A, TYR32B, TYR36B, TYR49B, TYR59A, TYR86B, TYR87B, TYR91A, TYR94B, VAL102A, VAL115B, VAL121A, VAL132B, VAL133B, VAL163A, VAL163B, VAL169A, VAL181A, VAL182A, VAL184A, VAL211A
• B-C: ARG29B, ASN268C, ASN276C, ASN277C, ASP269C, ASP50B, GLN270C, GLN90B, GLY31B, GLY91B, GLY93B, HIS34B, ILE266C, LEU273C, LYS271C, LYS272C, LYS53B, MET33B, PHE89B, PHE96B, PRO95B, SER92B, THR267C, THR51B, TYR32B, TYR49B, TYR94B, VAL30B
• A-C: ALA32A, ASN254C, ASN262C, ASN268C, ASN276C, ASN277C, ASN99A, ASP263C, ASP269C, ASP50A, ASP54A, ASP55A, ASP95A, GLN270C, GLU256C, GLY33A, HIS58A, ILE261C, ILE266C, ILE97A, LEU257C, LEU258C, LEU260C, LEU273C, LYS271C, LYS272C, LYS56A, MET264C, MET274C, MET34A, MET96A, PHE100A, PHE98A, PRO265C, SER255C, SER259C, SER275C, SER30A, SER35A, THR267C, THR31A, TRP52A, TRP53A, TYR100A