2J6E

crystal structure of an autoimmune complex between a human igm rheumatoid factor and igg1 fc reveals a novel fc epitope and evidence for affinity maturation

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 27
  • Norm. En. per Res.: -5.1867
• Hub Node: A(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
A-B	-31.2465	-62.323	-290.636	-384.2054	102	12	2	12644	7	22	25
A-H	-19.6998	0.0	-98.5597	-118.2595	50	5	0	3982	0	3	2
A-I	-24.3037	-52.4283	-63.3078	-140.0398	27	3	0	2396	3	9	9
A-M	-10.8326	1.9369	-53.6743	-62.57	33	8	0	2539	0	7	4
B-H	-16.0919	-52.4089	-62.0423	-130.5431	26	4	0	2333	3	9	8
B-I	-33.5039	0.0	-98.4681	-131.972	50	14	0	4105	0	3	2
B-L	0.0	-8.2705	-52.6526	-60.9231	38	6	0	2633	0	7	4
H-L	-57.6226	-36.7605	-453.726	-548.1091	174	42	10	19123	2	21	16
I-M	-41.6292	-65.8244	-463.668	-571.1216	181	31	12	19451	4	21	18
L-M	0.0	29.0203	-4.955	24.0654	20	0	0	346	0	4	2

Interface residues

• A-B: ARG355A, ARG355B, ASN389A, ASN389B, ASN390A, ASN390B, ASP356A, ASP356B, ASP399A, ASP399B, ASP401A, ASP401B, CYS367A, CYS367B, GLN347A, GLN347B, GLN362A, GLN362B, GLU357A, GLU357B, GLY371A, GLY371B, GLY402A, GLY402B, LEU351A, LEU351B, LEU358A, LEU358B, LEU365A, LEU365B, LEU368A, LEU368B, LEU398A, LEU398B, LEU406A, LEU406B, LEU410A, LEU410B, LEU441A, LEU441B, LYS360A, LYS360B, LYS370A, LYS370B, LYS392A, LYS392B, LYS409A, LYS409B, LYS439A, LYS439B, PHE404A, PHE404B, PHE405A, PHE405B, PRO352A, PRO352B, PRO353A, PRO353B, PRO395A, PRO395B, PRO396A, PRO396B, SER354A, SER354B, SER364A, SER364B, SER400A, SER400B, SER403A, SER403B, SER408A, SER408B, THR350A, THR350B, THR359A, THR359B, THR366A, THR366B, THR393A, THR393B, THR394A, THR394B, THR411A, THR411B, TRP381A, TRP381B, TYR349A, TYR349B, TYR391A, TYR391B, TYR407A, TYR407B, VAL348A, VAL348B, VAL363A, VAL363B, VAL369A, VAL369B, VAL397A, VAL397B, VAL412A, VAL412B
• A-H: ARG31H, ARG94H, ASN384A, ASN421A, ASN56H, ASP98H, ASP99H, CYS425A, GLN347A, GLN419A, GLN438A, GLU345A, GLU382A, GLY32H, GLY420A, GLY55H, HIS34H, HIS433A, ILE29H, LEU100H, LEU351A, LEU432A, LEU441A, LEU443A, LYS439A, PHE423A, PRO352A, PRO97H, SER28H, SER30H, SER33H, SER424A, SER426A, SER440A, SER442A, SER444A, SER54H, THR350A, THR437A, THR57H, TRP417A, TYR100H, TYR349A, TYR35H, TYR436A, TYR52H, TYR53H, TYR58H, VAL348A, VAL422A
• A-I: ARG355A, ASN56I, ASP100I, ASP356A, ASP98I, ASP99I, GLN418A, GLU357A, GLY100I, GLY96I, HIS34I, LEU100I, LEU358A, LEU95I, LYS360A, LYS414A, PRO353A, PRO97I, SER33I, SER354A, THR100I, THR359A, TRP47I, TYR100I, TYR35I, TYR52I, TYR58I
• A-M: ALA95M, ARG355A, ARG50M, ASN27M, ASN31M, ASN361A, ASN51M, ASP92M, ASP93M, GLN418A, GLN419A, GLY29M, ILE28M, LEU358A, LEU443A, LYS360A, LYS414A, LYS66M, PRO353A, SER26M, SER27M, SER30M, SER415A, SER444A, SER95M, THR359A, TRP417A, TRP91M, TYR32M, TYR34M, TYR49M, VAL33M, VAL96M
• B-H: ARG355B, ASN56H, ASP100H, ASP356B, ASP98H, ASP99H, GLN418B, GLU357B, GLY100H, GLY96H, HIS34H, LEU100H, LEU358B, LEU95H, LYS360B, LYS414B, PRO353B, PRO97H, SER354B, THR100H, THR359B, TRP47H, TYR100H, TYR35H, TYR52H, TYR58H
• B-I: ARG31I, ARG94I, ASN421B, ASN56I, ASP98I, ASP99I, CYS425B, GLN1I, GLN347B, GLN419B, GLN438B, GLU345B, GLY27I, GLY32I, GLY420B, GLY55I, HIS34I, HIS433B, ILE29I, LEU100I, LEU351B, LEU432B, LEU441B, LEU443B, LYS439B, PHE423B, PRO352B, PRO445B, PRO97I, SER28I, SER30I, SER33I, SER424B, SER426B, SER440B, SER442B, SER444B, SER54I, THR350B, THR437B, TRP417B, TYR100I, TYR349B, TYR35I, TYR436B, TYR52I, TYR53I, TYR58I, VAL348B, VAL422B
• B-L: ALA95L, ARG355B, ARG416B, ARG50L, ASN27L, ASN31L, ASN361B, ASN51L, ASN52L, ASP92L, ASP93L, GLN362B, GLN418B, GLN419B, GLN53L, GLY29L, LEU358B, LEU443B, LYS360B, LYS414B, LYS66L, PRO445B, SER26L, SER27L, SER30L, SER415B, SER444B, SER94L, SER95L, THR359B, THR90L, TRP417B, TRP91L, TYR32L, TYR34L, TYR49L, VAL33L, VAL96L
• H-L: ALA127L, ALA130L, ALA137H, ALA142H, ALA173L, ALA174L, ALA178H, ALA179H, ALA207L, ALA43L, ALA89L, ALA93H, ALA95L, ARG166H, ARG173H, ARG38H, ARG50L, ARG54L, ARG94H, ASN169L, ASN212H, ASN31L, ASN60H, ASP100H, ASP101H, ASP138L, ASP144H, ASP85L, ASP92L, ASP98H, ASP99H, CYS134L, CYS140H, CYS88L, CYS92H, GLN105H, GLN126L, GLN143H, GLN167L, GLN182H, GLN37L, GLN38L, GLN39H, GLN53L, GLU123L, GLU124L, GLU160L, GLU46H, GLU6H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY139H, GLY158L, GLY167H, GLY174H, GLY41L, GLY42H, GLY44H, GLY49H, GLY96H, GLY99L, ILE136L, ILE37H, ILE48H, ILE48L, ILE97L, LEU100H, LEU117L, LEU121H, LEU124H, LEU125L, LEU132L, LEU135L, LEU141H, LEU172H, LEU178L, LEU180L, LEU184H, LEU45H, LEU46L, LEU47L, LEU63H, LEU95H, LEU95L, LYS103L, LYS129L, LYS163L, LYS171L, LYS176H, LYS204L, LYS211H, LYS43H, LYS45L, LYS64H, MET100H, PHE118L, PHE122H, PHE139L, PHE152H, PHE168H, PHE59H, PHE98L, PRO119L, PRO120L, PRO123H, PRO164L, PRO169H, PRO214H, PRO41H, PRO44L, PRO55L, PRO61H, PRO97H, SER114L, SER121L, SER122L, SER137L, SER165L, SER168L, SER170H, SER175L, SER176L, SER179L, SER181H, SER50H, SER56L, SER62H, SER94L, SER95L, THR100H, THR107H, THR116L, THR120H, THR131L, THR161L, THR162L, THR165H, THR180H, THR209L, THR42L, THR90L, TRP103H, TRP154H, TRP185L, TRP35L, TRP36H, TRP47H, TRP91L, TYR177L, TYR32L, TYR34L, TYR36L, TYR49L, TYR58H, TYR86L, TYR87L, TYR91H, VAL102H, VAL115L, VAL125H, VAL133L, VAL136H, VAL138H, VAL159L, VAL171H, VAL183H, VAL206L, VAL213H, VAL33L, VAL89H, VAL96L
• I-M: ALA112M, ALA127M, ALA130M, ALA137I, ALA142I, ALA173M, ALA174M, ALA178I, ALA179I, ALA207M, ALA43M, ALA89M, ALA93I, ALA95M, ARG166I, ARG173I, ARG38I, ARG50M, ARG94I, ASN128M, ASN169M, ASN212I, ASN31M, ASN60I, ASP100I, ASP101I, ASP138M, ASP144I, ASP85M, ASP92M, ASP98I, ASP99I, CYS127I, CYS134M, CYS140I, CYS211M, CYS88M, CYS92I, GLN105I, GLN126M, GLN143I, GLN167M, GLN182I, GLN37M, GLN38M, GLN39I, GLN53M, GLU123M, GLU124M, GLU160M, GLU210M, GLU46I, GLU6I, GLY100I, GLY100M, GLY101M, GLY104I, GLY106I, GLY139I, GLY158M, GLY167I, GLY174I, GLY41M, GLY42I, GLY44I, GLY49I, GLY96I, GLY99M, ILE136M, ILE37I, ILE48I, ILE48M, ILE97M, LEU100I, LEU117M, LEU121I, LEU124I, LEU125M, LEU132M, LEU135M, LEU141I, LEU172I, LEU178M, LEU184I, LEU39M, LEU45I, LEU46M, LEU47M, LEU95I, LEU95M, LYS103M, LYS129M, LYS163M, LYS166M, LYS204M, LYS211I, LYS43I, LYS45M, LYS64I, MET100I, PHE118M, PHE122I, PHE139M, PHE145I, PHE152I, PHE168I, PHE59I, PHE98M, PRO119M, PRO120M, PRO123I, PRO164M, PRO169I, PRO214I, PRO40I, PRO41I, PRO44M, PRO55M, PRO61I, PRO97I, SER114M, SER121M, SER122M, SER126I, SER137M, SER165M, SER170I, SER175M, SER176M, SER179M, SER181I, SER50I, SER56M, SER62I, SER94M, SER95M, THR100I, THR116M, THR120I, THR131M, THR133I, THR161M, THR162M, THR165I, THR180I, THR205M, THR209M, THR42M, THR90M, TRP103I, TRP154I, TRP185M, TRP35M, TRP36I, TRP47I, TRP91M, TYR172M, TYR177I, TYR177M, TYR32M, TYR34M, TYR36M, TYR49M, TYR58I, TYR86M, TYR87M, TYR91I, VAL102I, VAL115M, VAL125I, VAL133M, VAL136I, VAL138I, VAL159M, VAL171I, VAL183I, VAL206M, VAL213I, VAL33M, VAL89I, VAL96M
• L-M: ARG50L, ARG50M, ARG54L, ARG54M, ASN52L, ASN52M, ASP60L, ASP60M, GLN53L, GLN53M, GLY57L, GLY57M, PRO55M, PRO59L, PRO59M, SER56L, SER56M, TYR49M, VAL58L, VAL58M