2FL5

cofactor-containing antibodies: crystal structure of the original yellow antibody

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 188
  • Norm. En. per Res.: -3.1457
• 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
L-H	-56.7221	-10.6161	-530.271	-597.6092	194	29	12	20120	2	21	30
L-C	0.0	-7.0066	-17.2535	-24.2601	38	0	1	1387	0	12	8
H-C	0.0	0.0	-0.1362	-0.1362	6	0	0	42	0	1	0
H-D	0.0	-27.0737	-32.7141	-59.7878	24	6	0	1462	2	13	11
H-E	0.0	0.0	-0.0464	-0.0464	2	0	0	21	0	1	0
H-F	0.0	0.0	-0.1154	-0.1154	8	0	0	42	0	2	2
A-B	-36.0077	-8.4277	-518.327	-562.7623	194	24	12	19898	4	20	30
A-E	-7.5875	-4.799	-20.4193	-32.8058	38	2	1	1488	0	10	8
B-E	0.0	0.0	-0.1709	-0.1709	6	0	0	37	0	1	0
B-F	0.0	-30.7787	-34.3629	-65.1416	24	8	0	1537	3	15	11
C-D	-43.6451	-8.6446	-511.231	-563.5207	189	22	12	19644	4	19	29
D-E	0.0	0.0	-0.0098	-0.0098	3	0	0	10	0	2	3
D-F	0.0	0.0	-19.8932	-19.8932	30	4	0	1405	0	4	1
E-F	-52.079	-8.3134	-530.995	-591.3875	188	25	12	19646	3	18	29

Interface residues

• L-H: ALA125H, ALA127L, ALA130L, ALA138H, ALA139H, ALA174L, ALA175L, ALA176H, ALA210L, ALA33L, ALA43L, ALA93H, ARG129H, ARG38H, ARG39L, ARG54L, ARG94H, ASN170L, ASN50H, ASN94L, ASP100H, ASP101H, ASP138L, ASP146H, ASP51L, ASP61H, ASP85L, ASP91L, ASP97H, CYS127H, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN126L, GLN167L, GLN179H, GLN37L, GLN39H, GLN42L, GLU123L, GLU124L, GLU135H, GLU160L, GLU1H, GLU38L, GLU46H, GLU50L, GLU57L, GLU6H, GLY100H, GLY100L, GLY101L, GLY104H, GLY106H, GLY141H, GLY158L, GLY41L, GLY42H, GLY44H, GLY53L, GLY95L, GLY99H, GLY99L, HIS172H, ILE136L, ILE92L, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU140H, LEU143H, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU28L, LEU45H, LEU46L, LEU4H, LEU97L, LYS117H, LYS129L, LYS145H, LYS156L, LYS166L, LYS172L, LYS207L, LYS221H, LYS30L, LYS31L, LYS43H, LYS57H, LYS64H, PHE102H, PHE118L, PHE122H, PHE139L, PHE174H, PHE58H, PHE98H, PHE98L, PRO100H, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO175H, PRO211L, PRO41H, PRO44L, PRO55L, PRO96L, SER114L, SER120H, SER121L, SER122L, SER128H, SER130H, SER137L, SER165L, SER168L, SER176L, SER177L, SER180H, SER180L, SER182H, SER186H, SER188H, SER189H, SER191L, SER1L, SER40L, SER56L, SER60H, SER90L, SER96H, THR102L, THR116L, THR131L, THR161L, THR162L, THR163L, THR173H, THR192H, THR208L, THR212L, THR35H, THR49H, THR89H, TRP103H, TRP186L, TRP35L, TRP36H, TRP47H, TYR100H, TYR173L, TYR178L, TYR185H, TYR192L, TYR32L, TYR34L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR89L, TYR91H, TYR95L, VAL115L, VAL121H, VAL133L, VAL144H, VAL159L, VAL171H, VAL177H, VAL190H, VAL191H, VAL209L, VAL225H, VAL27L, VAL2H, VAL37H, VAL45L, VAL47L, VAL48H, VAL48L, VAL95H
• L-C: ALA150C, ALA157C, ARG54L, ASN94L, ASP151C, ASP51L, GLN185C, GLU184C, GLU50L, GLY158C, GLY53L, GLY64L, GLY68L, HIS189C, ILE155C, LEU179C, LEU181C, LEU28L, LYS156C, LYS30L, LYS31L, PRO154C, PRO29L, SER152C, SER153C, SER180C, SER188C, SER1C, SER52L, SER65L, SER66L, SER67L, SER93L, THR182C, THR69L, TYR192C, TYR32L, TYR49L
• H-C: ALA157C, ASP100H, GLN185C, GLY99H, PHE98H, THR182C
• H-D: ARG52H, ARG66D, ARG83D, ASP53H, ASP61D, ASP86D, GLN82D, GLU54H, GLU56H, GLU85D, GLY15D, GLY65D, LEU82D, LYS57H, LYS64D, PHE58H, PRO14D, PRO52H, SER62D, SER82D, THR55H, TYR33H, VAL63D, VAL84D
• H-E: LYS19H, THR212E
• H-F: GLU54H, LYS19H, LYS57H, SER128F, SER134F, SER196F, SER70H, THR55H
• A-B: ALA125B, ALA127A, ALA130A, ALA138B, ALA139B, ALA174A, ALA175A, ALA176B, ALA210A, ALA33A, ALA43A, ALA93B, ARG129B, ARG38B, ARG39A, ARG54A, ARG94B, ASN170A, ASN50B, ASN94A, ASP100B, ASP101B, ASP138A, ASP146B, ASP51A, ASP61B, ASP85A, ASP91A, ASP97B, CYS127B, CYS134A, CYS142B, CYS88A, CYS92B, GLN105B, GLN126A, GLN167A, GLN179B, GLN37A, GLN39B, GLN42A, GLU123A, GLU124A, GLU135B, GLU160A, GLU1B, GLU38A, GLU46B, GLU50A, GLU57A, GLU6B, GLY100A, GLY100B, GLY101A, GLY104B, GLY106B, GLY141B, GLY158A, GLY41A, GLY42B, GLY44B, GLY53A, GLY95A, GLY99A, GLY99B, HIS172B, ILE136A, ILE92A, LEU117A, LEU124B, LEU125A, LEU132A, LEU135A, LEU140B, LEU143B, LEU178B, LEU179A, LEU181A, LEU184B, LEU187B, LEU28A, LEU45B, LEU46A, LEU4A, LEU97A, LYS117B, LYS129A, LYS145B, LYS156A, LYS166A, LYS172A, LYS207A, LYS221B, LYS30A, LYS31A, LYS43B, LYS57B, LYS64B, PHE102B, PHE118A, PHE122B, PHE139A, PHE174B, PHE58B, PHE98A, PHE98B, PRO100B, PRO119A, PRO120A, PRO123B, PRO126B, PRO164A, PRO175B, PRO211A, PRO41B, PRO44A, PRO55A, PRO96A, SER114A, SER120B, SER121A, SER122A, SER128B, SER130B, SER137A, SER165A, SER168A, SER176A, SER177A, SER180A, SER180B, SER182B, SER186B, SER188B, SER189B, SER191A, SER193A, SER1A, SER40A, SER56A, SER60B, SER90A, SER96B, THR102A, THR116A, THR131A, THR161A, THR162A, THR163A, THR173B, THR192B, THR208A, THR212A, THR35B, THR49B, THR89B, TRP103B, TRP186A, TRP35A, TRP36B, TRP47B, TYR100B, TYR173A, TYR178A, TYR185B, TYR192A, TYR32A, TYR34A, TYR36A, TYR49A, TYR59B, TYR86A, TYR87A, TYR89A, TYR91B, TYR95A, VAL115A, VAL121B, VAL133A, VAL144B, VAL159A, VAL177B, VAL190B, VAL191B, VAL209A, VAL225B, VAL27A, VAL2B, VAL37B, VAL45A, VAL47A, VAL48A, VAL48B, VAL95B
• A-E: ALA150E, ALA157E, ARG54A, ASN94A, ASP151E, ASP51A, GLN185E, GLU184E, GLU50A, GLY158E, GLY53A, GLY64A, GLY68A, HIS189E, ILE155E, LEU179E, LEU181E, LEU28A, LYS149E, LYS156E, LYS30A, LYS31A, LYS70A, PRO154E, PRO29A, SER152E, SER153E, SER180E, SER188E, SER1E, SER52A, SER65A, SER66A, SER67A, THR182E, THR69A, TYR32A, TYR49A
• B-E: ALA157E, ASP100B, GLN185E, GLY99B, PHE98B, THR182E
• B-F: ARG52B, ARG66F, ARG83F, ASP53B, ASP61F, ASP86F, GLN82F, GLU54B, GLU56B, GLU85F, GLY15F, GLY65F, LEU82F, LYS57B, LYS64F, PHE58B, PRO14F, PRO52B, SER62F, SER82F, THR55B, TYR33B, VAL63F, VAL84F
• C-D: ALA125D, ALA127C, ALA130C, ALA138D, ALA139D, ALA174C, ALA175C, ALA176D, ALA210C, ALA33C, ALA43C, ALA93D, ARG129D, ARG38D, ARG39C, ARG54C, ARG94D, ASN128C, ASN170C, ASN50D, ASN94C, ASP100D, ASP101D, ASP138C, ASP146D, ASP51C, ASP61D, ASP85C, ASP91C, ASP97D, CYS127D, CYS134C, CYS142D, CYS88C, CYS92D, GLN105D, GLN126C, GLN167C, GLN179D, GLN37C, GLN39D, GLN42C, GLU123C, GLU124C, GLU135D, GLU160C, GLU38C, GLU46D, GLU50C, GLU57C, GLU6D, GLY100C, GLY100D, GLY101C, GLY104D, GLY106D, GLY141D, GLY158C, GLY41C, GLY42D, GLY44D, GLY53C, GLY95C, GLY99C, GLY99D, HIS172D, ILE136C, ILE92C, LEU117C, LEU124D, LEU125C, LEU132C, LEU135C, LEU140D, LEU143D, LEU178D, LEU179C, LEU181C, LEU184D, LEU187D, LEU28C, LEU45D, LEU46C, LEU4C, LEU4D, LEU97C, LYS117D, LYS129C, LYS145D, LYS166C, LYS172C, LYS207C, LYS221D, LYS30C, LYS31C, LYS43D, LYS57D, LYS64D, PHE102D, PHE118C, PHE122D, PHE139C, PHE174D, PHE58D, PHE98C, PHE98D, PRO100D, PRO119C, PRO120C, PRO123D, PRO126D, PRO164C, PRO175D, PRO211C, PRO41D, PRO44C, PRO55C, PRO96C, SER114C, SER120D, SER121C, SER122C, SER128D, SER130D, SER137C, SER165C, SER168C, SER176C, SER177C, SER180C, SER180D, SER182D, SER186D, SER188D, SER189D, SER191C, SER193C, SER1C, SER60D, SER90C, SER96D, THR116C, THR131C, THR161C, THR162C, THR163C, THR173D, THR192D, THR208C, THR212C, THR35D, THR49D, THR89D, TRP103D, TRP186C, TRP35C, TRP36D, TRP47D, TYR100D, TYR173C, TYR178C, TYR192C, TYR32C, TYR34C, TYR36C, TYR49C, TYR59D, TYR86C, TYR87C, TYR89C, TYR91D, TYR95C, VAL115C, VAL121D, VAL133C, VAL144D, VAL159C, VAL177D, VAL190D, VAL191D, VAL209C, VAL225D, VAL27C, VAL37D, VAL45C, VAL47C, VAL48C, VAL48D, VAL95D
• D-E: ASP53D, LYS172E, THR55D
• D-F: ARG66D, GLU135F, GLU16D, GLY15D, GLY199F, GLY65D, LEU18D, LEU198F, LEU82D, LYS19D, LYS203F, LYS57D, LYS64D, MET82D, PHE67D, PRO194F, SER134F, SER136F, SER17D, SER195F, SER196F, SER197F, SER81D, SER82D, THR137F, THR200F, THR68D, TYR59D, VAL193F, VAL69D
• E-F: ALA125F, ALA127E, ALA130E, ALA138F, ALA139F, ALA174E, ALA175E, ALA176F, ALA210E, ALA33E, ALA43E, ALA93F, ARG129F, ARG38F, ARG39E, ARG54E, ARG94F, ASN170E, ASN50F, ASN94E, ASP100F, ASP101F, ASP138E, ASP146F, ASP51E, ASP61F, ASP85E, ASP91E, ASP97F, CYS127F, CYS134E, CYS142F, CYS88E, CYS92F, GLN105F, GLN126E, GLN167E, GLN179F, GLN37E, GLN39F, GLN42E, GLU123E, GLU124E, GLU135F, GLU160E, GLU38E, GLU46F, GLU50E, GLU57E, GLU6F, GLY100E, GLY100F, GLY101E, GLY104F, GLY106F, GLY141F, GLY158E, GLY41E, GLY42F, GLY44F, GLY53E, GLY95E, GLY99E, GLY99F, HIS172F, ILE136E, ILE92E, LEU117E, LEU124F, LEU125E, LEU132E, LEU135E, LEU140F, LEU143F, LEU178F, LEU179E, LEU181E, LEU184F, LEU187F, LEU28E, LEU45F, LEU46E, LEU4F, LEU97E, LYS117F, LYS129E, LYS145F, LYS166E, LYS172E, LYS207E, LYS221F, LYS222F, LYS30E, LYS31E, LYS43F, LYS57F, LYS64F, PHE102F, PHE118E, PHE122F, PHE139E, PHE174F, PHE58F, PHE98E, PHE98F, PRO100F, PRO119E, PRO120E, PRO123F, PRO126F, PRO164E, PRO175F, PRO211E, PRO41F, PRO44E, PRO55E, PRO96E, SER114E, SER120F, SER121E, SER122E, SER128F, SER130F, SER137E, SER165E, SER168E, SER176E, SER177E, SER180E, SER180F, SER182F, SER186F, SER188F, SER189F, SER191E, SER193E, SER1E, SER40E, SER60F, SER90E, SER96F, THR116E, THR131E, THR161E, THR162E, THR163E, THR173F, THR192F, THR208E, THR212E, THR35F, THR49F, THR89F, TRP103F, TRP186E, TRP35E, TRP36F, TRP47F, TYR100F, TYR173E, TYR178E, TYR192E, TYR32E, TYR34E, TYR36E, TYR49E, TYR59F, TYR86E, TYR87E, TYR89E, TYR91F, TYR95E, VAL115E, VAL121F, VAL133E, VAL144F, VAL159E, VAL177F, VAL190F, VAL191F, VAL209E, VAL225F, VAL37F, VAL45E, VAL47E, VAL48E, VAL48F, VAL95F