3QPQ

crystal structure of anti-tlr3 antibody c1068 fab

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-J
  • Int. Res.: 29
  • Norm. En. per Res.: -1.5645
• Hub Node: E(3)

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	-6.6056	-15.9663	364.693	342.121	189	18	10	19425	2	19	10
H-C	-12.4334	-4.9331	-50.8922	-68.2586	67	3	0	2728	0	10	13
E-F	-16.5316	-14.8591	212.802	181.4112	194	8	10	18992	1	21	9
E-I	0.0	0.0	-1.3236	-1.3236	9	0	0	248	0	1	3
E-J	-4.8835	0.0	-40.4875	-45.371	29	0	0	1573	0	3	2
F-C	0.0	0.0	-5.865	-5.865	21	1	0	622	0	3	0
F-I	0.0	-7.524	-1.8346	-9.3585	16	0	0	210	0	9	14
F-J	0.0	0.0	-41.9549	-41.9549	36	2	2	2202	0	1	2
C-D	-13.295	-28.1724	157.8	116.3326	202	16	10	20567	3	30	14
I-J	-16.2495	-23.6294	257.597	217.7181	195	11	10	19548	1	21	10

Interface residues

• L-H: ALA131H, ALA131L, ALA142H, ALA143H, ALA174H, ALA34L, ALA51L, ALA55L, ARG212L, ARG216H, ARG40H, ARG98H, ASN138L, ASN139L, ASN211L, ASN31L, ASN50L, ASN59H, ASN61H, ASP123L, ASP150H, ASP168L, ASP171L, ASP1L, ASP56L, CYS133H, CYS135L, CYS146H, CYS215L, CYS88L, CYS96H, GLN111H, GLN125L, GLN161L, GLN177H, GLN37L, GLN38L, GLN39H, GLN3L, GLN40L, GLN43H, GLN45L, GLN6H, GLN89L, GLU124L, GLU139H, GLU162L, GLU166L, GLU214L, GLU46H, GLU50H, GLU62H, GLY100H, GLY101L, GLY110H, GLY112H, GLY145H, GLY168H, GLY213L, GLY41L, GLY42H, GLY44H, GLY49H, GLY99L, HIS170H, HIS30L, HIS35H, HIS90L, ILE103H, ILE118L, ILE29L, ILE48H, ILE58H, LEU126L, LEU130H, LEU136L, LEU137L, LEU144H, LEU147H, LEU176H, LEU176L, LEU180L, LEU182L, LEU184H, LEU33L, LEU45H, LEU46L, LEU47L, LEU4H, LYS103L, LYS127L, LYS149H, LYS208L, LYS215H, LYS38H, LYS39L, LYS42L, LYS63H, LYS65H, MET102H, PHE106H, PHE117L, PHE119L, PHE128H, PHE140L, PHE172H, PHE210L, PHE64H, PHE91L, PHE96L, PHE98L, PRO107H, PRO120L, PRO121L, PRO129H, PRO132H, PRO173H, PRO44L, PRO95L, SER100L, SER115L, SER122L, SER126H, SER128L, SER132L, SER134H, SER138H, SER140H, SER160L, SER163L, SER175L, SER177L, SER178H, SER178L, SER183H, SER185H, SER186H, SER192H, SER209L, SER43L, SER85L, SER93L, THR102L, THR104H, THR105H, THR130L, THR141H, THR165L, THR171H, THR173L, THR179L, THR181L, THR189H, THR53L, THR94L, THR97H, THR97L, TRP109H, TRP33H, TRP35L, TRP36H, TRP47H, TRP92L, TYR108H, TYR174L, TYR32L, TYR36L, TYR49L, TYR60H, TYR86L, TYR87L, TYR95H, VAL101H, VAL116L, VAL127H, VAL133L, VAL134L, VAL148H, VAL164L, VAL169H, VAL175H, VAL187H, VAL188H, VAL190H, VAL217H, VAL37H, VAL48L, VAL93H, VAL99H
• H-C: ALA145C, ALA164H, ALA24H, ALA25C, ALA9C, ARG216H, ARG24C, ASN161H, ASN203H, ASN28C, ASP1C, ASP214H, CYS202H, CYS22H, GLN111H, GLN148C, GLN200C, GLN3C, GLN3H, GLN5H, GLN6H, GLN70C, GLU144C, GLU66C, GLY26H, GLY27C, GLY68C, GLY8H, HIS199C, HIS218H, HIS30C, ILE29C, ILE2C, LEU202C, LEU4H, LYS146C, LYS198H, LYS207H, LYS212H, LYS215H, LYS23H, PRO142C, PRO205C, PRO7H, SER10C, SER162H, SER203C, SER204C, SER21H, SER25H, SER26C, SER67C, SER75H, SER76H, SER77H, THR197H, THR198C, THR199H, THR201H, THR5C, THR69C, THR78H, TRP92C, TYR27H, TYR71C, VAL213H, VAL2H
• E-F: ALA131E, ALA131F, ALA142F, ALA143F, ALA174F, ALA34E, ALA51E, ALA55E, ARG212E, ARG216F, ARG57F, ARG98F, ASN138E, ASN139E, ASN159E, ASN211E, ASN31E, ASN50E, ASN59F, ASN61F, ASP123E, ASP150F, ASP168E, ASP171E, ASP1E, ASP56E, CYS133F, CYS135E, CYS146F, CYS215E, CYS88E, CYS96F, GLN111F, GLN125E, GLN161E, GLN167E, GLN177F, GLN37E, GLN38E, GLN39F, GLN3E, GLN40E, GLN43F, GLN45E, GLN6E, GLN6F, GLN89E, GLU124E, GLU139F, GLU162E, GLU166E, GLU214E, GLU46F, GLU50F, GLU62F, GLY100F, GLY101E, GLY110F, GLY112F, GLY145F, GLY158E, GLY168F, GLY180F, GLY213E, GLY41E, GLY42F, GLY44F, GLY49F, GLY99E, HIS170F, HIS30E, HIS35F, HIS90E, ILE103F, ILE118E, ILE29E, ILE48F, LEU126E, LEU130F, LEU136E, LEU137E, LEU144F, LEU147F, LEU176E, LEU176F, LEU180E, LEU181F, LEU182E, LEU184F, LEU33E, LEU45F, LEU46E, LEU47E, LEU4F, LYS127E, LYS149F, LYS208E, LYS215F, LYS38F, LYS39E, LYS42E, LYS63F, LYS65F, MET102F, PHE106F, PHE117E, PHE119E, PHE128F, PHE140E, PHE172F, PHE210E, PHE64F, PHE91E, PHE96E, PHE98E, PRO107F, PRO120E, PRO121E, PRO129F, PRO132F, PRO173F, PRO44E, PRO95E, SER100E, SER115E, SER122E, SER126F, SER128E, SER132E, SER134F, SER140F, SER160E, SER163E, SER175E, SER177E, SER178E, SER178F, SER179F, SER183F, SER185F, SER186F, SER192F, SER209E, SER43E, SER85E, SER93E, THR104F, THR105F, THR130E, THR137F, THR141F, THR165E, THR171F, THR173E, THR179E, THR181E, THR189F, THR53E, THR94E, THR97E, THR97F, TRP109F, TRP33F, TRP35E, TRP36F, TRP47F, TRP92E, TYR108F, TYR174E, TYR182F, TYR32E, TYR36E, TYR49E, TYR60F, TYR86E, TYR87E, TYR95F, VAL101F, VAL116E, VAL127F, VAL133E, VAL134E, VAL148F, VAL164E, VAL169F, VAL175F, VAL187F, VAL188F, VAL190F, VAL217F, VAL37F, VAL48E, VAL93F, VAL99F
• E-I: ARG61I, ASP1E, GLN3E, GLN79I, GLU81I, GLY57I, PRO59I, PRO80I, SER26E
• E-J: ALA131E, ALA185E, ASN159E, ASP186E, GLN156E, GLN161E, GLY129E, GLY158E, GLY196J, HIS219J, LEU180E, LEU182E, LEU195J, LYS184E, LYS198J, PRO191J, SER140J, SER157E, SER160E, SER183E, SER192J, SER193J, SER194J, THR130E, THR141J, THR181E, THR197J, TYR187E, VAL190J
• F-C: ARG61C, ASP82C, GLN3F, GLN45C, GLN5F, GLN79C, GLU81C, GLY26F, GLY57C, ILE28F, LYS23F, LYS42C, PRO59C, PRO80C, SER169C, SER25F, SER60C, SER75F, TYR27F, VAL2F, VAL58C
• F-I: ARG40F, ARG61I, GLN43F, GLN79I, GLU62F, GLU81I, GLU89F, GLY57I, LYS170I, LYS39I, LYS42I, LYS63F, PRO80I, SER169I, SER85F, THR66F
• F-J: ALA119F, ALA120F, ALA164J, ASN161J, GLN177F, GLY163J, GLY168J, GLY180F, LEU165J, LEU176F, LEU181F, LEU195J, LYS123F, LYS149F, LYS198J, PHE152F, PRO14F, PRO191J, SER118F, SER121F, SER159J, SER162J, SER167J, SER178F, SER179F, SER194J, SER88F, THR166J, THR189J, THR197J, THR199J, TRP160J, TYR200J, VAL117F, VAL169J, VAL190J
• C-D: ALA131C, ALA131D, ALA142D, ALA143D, ALA174D, ALA34C, ALA51C, ALA55C, ARG212C, ARG40D, ARG98D, ASN138C, ASN139C, ASN211C, ASN31C, ASN50C, ASN59D, ASN61D, ASP123C, ASP150D, ASP168C, ASP171C, ASP1C, ASP56C, CYS133D, CYS135C, CYS146D, CYS215C, CYS88C, CYS96D, GLN111D, GLN125C, GLN161C, GLN167C, GLN177D, GLN37C, GLN38C, GLN39D, GLN3C, GLN40C, GLN43D, GLN45C, GLN6C, GLN6D, GLN89C, GLU124C, GLU139D, GLU162C, GLU166C, GLU214C, GLU46D, GLU50D, GLU62D, GLY100D, GLY101C, GLY110D, GLY112D, GLY145D, GLY168D, GLY180D, GLY213C, GLY41C, GLY42D, GLY44D, GLY49D, GLY99C, HIS170D, HIS219D, HIS220D, HIS221D, HIS222D, HIS30C, HIS35D, HIS90C, ILE103D, ILE118C, ILE29C, ILE2C, ILE48D, ILE58D, LEU126C, LEU130D, LEU136C, LEU137C, LEU144D, LEU147D, LEU176C, LEU176D, LEU180C, LEU181D, LEU182C, LEU184D, LEU195D, LEU33C, LEU45D, LEU46C, LEU47C, LEU4D, LYS103C, LYS127C, LYS149D, LYS208C, LYS215D, LYS38D, LYS39C, LYS42C, LYS63D, LYS65D, MET102D, PHE106D, PHE117C, PHE119C, PHE128D, PHE140C, PHE172D, PHE210C, PHE64D, PHE91C, PHE96C, PHE98C, PRO107D, PRO120C, PRO121C, PRO129D, PRO132D, PRO173D, PRO41D, PRO44C, PRO95C, SER100C, SER115C, SER122C, SER126D, SER128C, SER132C, SER134D, SER138D, SER140D, SER160C, SER163C, SER175C, SER177C, SER178C, SER178D, SER179D, SER183D, SER185D, SER186D, SER192D, SER209C, SER43C, SER85C, SER93C, THR104D, THR105D, THR130C, THR141D, THR165C, THR171D, THR173C, THR179C, THR181C, THR189D, THR53C, THR94C, THR97C, THR97D, TRP109D, TRP33D, TRP35C, TRP36D, TRP47D, TRP92C, TYR108D, TYR174C, TYR182D, TYR187C, TYR32C, TYR36C, TYR49C, TYR60D, TYR86C, TYR87C, TYR95D, VAL101D, VAL116C, VAL127D, VAL133C, VAL134C, VAL148D, VAL164C, VAL169D, VAL175D, VAL187D, VAL188D, VAL190D, VAL213D, VAL217D, VAL37D, VAL48C, VAL93D, VAL99D
• I-J: ALA131I, ALA131J, ALA142J, ALA143J, ALA174J, ALA34I, ALA51I, ALA55I, ARG212I, ARG216J, ARG40J, ARG98J, ASN138I, ASN139I, ASN211I, ASN31I, ASN50I, ASN59J, ASN61J, ASP123I, ASP150J, ASP168I, ASP171I, ASP1I, ASP56I, CYS133J, CYS135I, CYS146J, CYS215I, CYS88I, CYS96J, GLN111J, GLN125I, GLN161I, GLN177J, GLN37I, GLN38I, GLN39J, GLN3I, GLN40I, GLN43J, GLN45I, GLN6J, GLN89I, GLU124I, GLU139J, GLU162I, GLU166I, GLU214I, GLU46J, GLU50J, GLU62J, GLY100J, GLY101I, GLY110J, GLY112J, GLY145J, GLY168J, GLY213I, GLY41I, GLY42J, GLY44J, GLY49J, GLY99I, HIS170J, HIS218J, HIS220J, HIS30I, HIS35J, HIS90I, ILE103J, ILE118I, ILE29I, ILE48J, ILE58J, LEU126I, LEU130J, LEU136I, LEU137I, LEU144J, LEU147J, LEU176I, LEU176J, LEU180I, LEU181J, LEU182I, LEU184J, LEU33I, LEU45J, LEU46I, LEU47I, LYS103I, LYS127I, LYS149J, LYS208I, LYS215J, LYS38J, LYS39I, LYS42I, LYS63J, LYS65J, MET102J, PHE106J, PHE117I, PHE119I, PHE128J, PHE140I, PHE172J, PHE210I, PHE64J, PHE91I, PHE96I, PHE98I, PRO107J, PRO114I, PRO120I, PRO121I, PRO129J, PRO132J, PRO173J, PRO44I, PRO95I, SER100I, SER115I, SER122I, SER126J, SER128I, SER132I, SER134J, SER138J, SER140J, SER160I, SER163I, SER175I, SER177I, SER178I, SER178J, SER179J, SER183J, SER185J, SER186J, SER192J, SER209I, SER43I, SER85I, SER93I, THR102I, THR104J, THR105J, THR130I, THR141J, THR165I, THR171J, THR173I, THR179I, THR181I, THR189J, THR53I, THR94I, THR97I, THR97J, TRP109J, TRP33J, TRP35I, TRP36J, TRP47J, TRP92I, TYR108J, TYR174I, TYR182J, TYR32I, TYR36I, TYR49I, TYR60J, TYR86I, TYR87I, TYR95J, VAL101J, VAL116I, VAL127J, VAL133I, VAL134I, VAL148J, VAL164I, VAL169J, VAL175J, VAL187J, VAL188J, VAL190J, VAL206I, VAL217J, VAL37J, VAL48I, VAL93J, VAL99J