3R06

crystal structure of anti-mouse cd3epsilon antibody 2c11 fab fragment

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 189
  • Norm. En. per Res.: -2.602
• Hub Node: C(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	-6.553	2.4263	-440.124	-444.2507	186	18	10	17299	1	15	17
A-C	-3.3104	4.886	-29.9265	-28.3509	22	0	0	1327	0	3	5
A-D	0.0	3.9683	-20.9731	-17.0048	20	0	1	752	0	8	4
C-D	-8.7344	6.082	-445.821	-448.4734	182	10	9	17127	0	15	14
C-F	0.0	0.0	-0.0037	-0.0037	3	0	0	5	0	1	1
C-H	-6.9519	-0.6038	-53.7333	-61.2889	47	3	0	2657	0	7	9
C-L	0.0	0.0	-14.9714	-14.9714	13	1	0	521	0	1	2
D-F	-3.4325	0.5793	-62.6892	-65.5424	48	4	0	2843	0	1	8
E-F	-27.3903	9.4098	-473.793	-491.7735	189	14	10	17885	0	15	17
H-L	-49.8295	11.6097	-429.356	-467.5758	185	14	8	17262	0	16	13

Interface residues

• A-B: ALA125B, ALA127B, ALA130A, ALA43A, ALA49B, ALA55A, ALA60B, ALA62B, ALA93B, ARG211A, ARG38B, ARG43B, ARG94B, ASN101B, ASN137A, ASN138A, ASN210A, ASN34A, ASN56B, ASN93A, ASP157A, ASP165A, ASP167A, ASP170A, ASP1A, ASP1A5, ASP56A, ASP61B, ASP96B, ASP98B, CB8.2016251.92709, CYS134A, CYS142B, GLN105B, GLN124A, GLN161A, GLN37A, GLN38A, GLN39B, GLN89A, GLN90A, GLU123A, GLU1B, GLU213A, GLU226B, GLU46B, GLU6B, GLY101A, GLY104B, GLY106B, GLY126A, GLY141B, GLY158A, GLY169B, GLY33B, GLY41A, GLY42B, GLY44B, GLY57A, GLY99A, HIS172B, HIS179B, HIS35B, ILE117A, ILE223B, ILE48A, ILE51B, ILE57B, LEU124B, LEU125A, LEU132A, LEU140B, LEU143B, LEU160A, LEU166B, LEU175A, LEU178B, LEU179A, LEU181A, LEU184B, LEU187B, LEU209A, LEU221B, LEU45B, LEU46A, LEU47A, LEU54A, LYS145B, LYS169A, LYS207A, LYS222B, LYS39A, LYS42A, LYS45A, LYS53A, LYS58B, LYS64B, LYS99B, MET34B, MET89B, PHE118A, PHE135A, PHE139A, PHE174B, PHE95B, PHE98A, PRO100A, PRO119A, PRO120A, PRO123B, PRO126B, PRO175B, PRO40A, PRO44A, PRO95A, SER116A, SER120B, SER121A, SER122A, SER129A, SER162A, SER168A, SER168B, SER171A, SER174A, SER176A, SER176B, SER177A, SER180A, SER180B, SER186B, SER188B, SER189B, SER190B, SER47B, SER85A, THR114A, THR127A, THR131A, THR135B, THR137B, THR139B, THR164A, THR167B, THR172A, THR173B, THR178A, THR192B, THR208A, THR97A, TRP103B, TRP157B, TRP200B, TRP35A, TRP36B, TRP96A, TRP97B, TYR102B, TYR122B, TYR173A, TYR185B, TYR32A, TYR36A, TYR49A, TYR50A, TYR50B, TYR59B, TYR86A, TYR87A, TYR91A, TYR91B, TYR94A, VAL115A, VAL121B, VAL133A, VAL136A, VAL138B, VAL144B, VAL159A, VAL163A, VAL171B, VAL177B, VAL191B, VAL37B, VAL48B, VAL69B
• A-C: ARG188A, ARG211A, ASN190A, ASN210A, ASN212A, ASN31C, ASN52C, ASP151A, ASP28C, GLU187A, GLU213A, HIS189A, ILE29C, LEU191A, LEU54C, LYS53C, SER30C, TYR32C, TYR49C, TYR50C, TYR91C, TYR92C
• A-D: ALA203A, ALA204A, ARG188A, ASN190A, ASP151A, ASP96D, ASP98D, GLY152A, GLY31D, HIS189A, ILE55D, LEU191A, LYS149A, SER153A, SER52D, SER53D, THR202A, TRP97D, TYR32D, VAL150A
• C-D: ALA125D, ALA127D, ALA130C, ALA43C, ALA49D, ALA55C, ALA60D, ALA62D, ALA93D, ARG211C, ARG38D, ARG43D, ARG94D, ASN101D, ASN137C, ASN138C, ASN210C, ASN34C, ASN93C, ASP165C, ASP167C, ASP170C, ASP1C, ASP56C, ASP61D, ASP96D, ASP98D, CYS128D, CYS134C, CYS142D, CYS88C, CYS92D, GLN105D, GLN124C, GLN161C, GLN38C, GLN39D, GLN6C, GLN89C, GLN90C, GLU123C, GLU213C, GLU226D, GLU46D, GLU6D, GLY101C, GLY104D, GLY106D, GLY126C, GLY141D, GLY146D, GLY158C, GLY169D, GLY41C, GLY44D, GLY99C, HIS172D, HIS179D, HIS35D, ILE117C, ILE223D, ILE48C, ILE51D, ILE57D, LEU124D, LEU125C, LEU132C, LEU140D, LEU143D, LEU160C, LEU175C, LEU178D, LEU179C, LEU181C, LEU184D, LEU187D, LEU209C, LEU221D, LEU45D, LEU46C, LEU47C, LEU54C, LYS145D, LYS169C, LYS207C, LYS222D, LYS39C, LYS42C, LYS45C, LYS53C, LYS58D, LYS64D, LYS99D, MET34D, MET89D, PHE118C, PHE135C, PHE139C, PHE174D, PHE95D, PHE98C, PRO100C, PRO113C, PRO119C, PRO120C, PRO123D, PRO126D, PRO175D, PRO44C, PRO95C, SER116C, SER120D, SER121C, SER122C, SER129C, SER162C, SER168C, SER168D, SER174C, SER176C, SER176D, SER177C, SER180C, SER180D, SER186D, SER188D, SER189D, SER190D, SER47D, SER85C, THR114C, THR127C, THR131C, THR134D, THR135D, THR137D, THR139D, THR164C, THR172C, THR173D, THR178C, THR192D, THR208C, THR97C, TRP103D, TRP157D, TRP200D, TRP35C, TRP36D, TRP96C, TRP97D, TYR102D, TYR122D, TYR173C, TYR185D, TYR186C, TYR32C, TYR36C, TYR49C, TYR50C, TYR50D, TYR59D, TYR86C, TYR87C, TYR91C, TYR91D, TYR94C, VAL115C, VAL121D, VAL133C, VAL136C, VAL138D, VAL144D, VAL159C, VAL163C, VAL171D, VAL177D, VAL191D, VAL37D, VAL48D, VAL63D, VAL69D
• C-F: GLU123C, LYS75F, THR127C
• C-H: ALA109C, ALA111C, ALA114H, ALA118H, ALA13C, ALA214H, ARG108C, ARG18C, ASP110C, ASP17C, GLN13H, GLY146H, GLY8H, GLY9H, ILE106C, LEU11H, LEU15C, LEU184H, LEU18H, LYS107C, LYS112C, LYS115H, LYS16H, LYS199C, LYS19H, PHE148H, PRO12C, PRO141C, PRO149H, PRO14H, SER112H, SER113H, SER120H, SER14C, SER171C, SER17H, SER215H, SER7H, THR116H, THR117H, THR172C, THR200C, THR202C, TYR122H, TYR140C, TYR147H, VAL12H
• C-L: ARG18C, GLN124L, GLU123L, GLY126L, GLY128L, LEU125L, SER129L, SER63C, SER76C, SER77C, THR127L, THR20C, THR74C
• D-F: ALA118D, ALA214D, ARG66F, ASN82F, GLN13D, GLN13F, GLN81F, GLU150D, GLY10D, GLY15F, GLY65F, GLY8F, GLY9D, GLY9F, HIS212D, ILE82F, LEU11D, LEU18D, LEU18F, LEU20F, LEU80F, LEU82F, LYS115D, LYS16D, LYS16F, LYS19F, LYS64F, MET108D, MET82F, PHE148D, PHE79F, PRO119D, PRO149D, PRO14F, PRO151D, PRO213D, SER17F, SER215D, SER216D, SER21F, SER7F, THR110D, THR116D, THR117D, THR217D, THR68F, VAL12D, VAL12F
• E-F: ALA125F, ALA127F, ALA130E, ALA43E, ALA49F, ALA55E, ALA60F, ALA62F, ALA93F, ARG211E, ARG38F, ARG43F, ARG94F, ASN101F, ASN137E, ASN138E, ASN210E, ASN34E, ASN56F, ASN93E, ASP157E, ASP165E, ASP167E, ASP170E, ASP1E, ASP56E, ASP61F, ASP96F, ASP98F, CYS128F, CYS134E, CYS142F, CYS88E, GLN105F, GLN124E, GLN161E, GLN37E, GLN38E, GLN39F, GLN89E, GLN90E, GLU123E, GLU213E, GLU226F, GLU46F, GLU6F, GLY101E, GLY104F, GLY106F, GLY126E, GLY141F, GLY158E, GLY169F, GLY33F, GLY41E, GLY42F, GLY44F, GLY99E, HIS172F, HIS179F, HIS35F, ILE117E, ILE223F, ILE48E, ILE51F, ILE57F, LEU124F, LEU125E, LEU132E, LEU140F, LEU143F, LEU160E, LEU166F, LEU175E, LEU178F, LEU179E, LEU181E, LEU184F, LEU187F, LEU209E, LEU221F, LEU45F, LEU46E, LEU47E, LEU54E, LYS103E, LYS142E, LYS145F, LYS169E, LYS207E, LYS222F, LYS39E, LYS42E, LYS45E, LYS53E, LYS58F, LYS64F, LYS99F, MET34F, MET89F, PHE118E, PHE135E, PHE139E, PHE174F, PHE95F, PHE98E, PRO100E, PRO119E, PRO120E, PRO123F, PRO126F, PRO175F, PRO40E, PRO44E, PRO95E, SER116E, SER120F, SER121E, SER122E, SER129E, SER162E, SER168E, SER168F, SER174E, SER176E, SER176F, SER177E, SER180E, SER180F, SER186F, SER188F, SER189F, SER190F, SER47F, SER85E, THR114E, THR127E, THR131E, THR134F, THR135F, THR137F, THR139F, THR164E, THR167F, THR172E, THR173F, THR178E, THR192F, THR208E, THR97E, TRP103F, TRP157F, TRP200F, TRP35E, TRP36F, TRP96E, TRP97F, TYR102F, TYR122F, TYR173E, TYR185F, TYR186E, TYR32E, TYR36E, TYR49E, TYR50E, TYR50F, TYR59F, TYR86E, TYR87E, TYR91E, TYR91F, TYR92E, TYR94E, VAL115E, VAL121F, VAL133E, VAL136E, VAL138F, VAL144F, VAL159E, VAL163E, VAL171F, VAL177F, VAL191F, VAL37F, VAL48F, VAL63F, VAL69F
• H-L: ALA125H, ALA127H, ALA130L, ALA40H, ALA43L, ALA49H, ALA55L, ALA60H, ALA62H, ALA93H, ARG211L, ARG38H, ARG43H, ARG94H, ASN101H, ASN137L, ASN138L, ASN210L, ASN212L, ASN34L, ASN93L, ASP165L, ASP167L, ASP170L, ASP1L, ASP56L, ASP61H, ASP96H, ASP98H, CYS128H, CYS134L, CYS142H, CYS88L, CYS92H, GLN105H, GLN124L, GLN161L, GLN37L, GLN38L, GLN39H, GLN6L, GLN89L, GLN90L, GLU123L, GLU213L, GLU226H, GLU46H, GLU6H, GLY101L, GLY104H, GLY106H, GLY126L, GLY128L, GLY141H, GLY146H, GLY158L, GLY169H, GLY41L, GLY44H, GLY99L, HIS172H, HIS179H, HIS35H, ILE117L, ILE223H, ILE48L, ILE51H, ILE57H, LEU124H, LEU125L, LEU132L, LEU140H, LEU143H, LEU160L, LEU175L, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU209L, LEU221H, LEU45H, LEU46L, LEU47L, LEU54L, LYS145H, LYS169L, LYS207L, LYS222H, LYS42L, LYS45L, LYS53L, LYS58H, LYS64H, LYS99H, MET34H, MET89H, PHE118L, PHE135L, PHE139L, PHE174H, PHE95H, PHE98L, PRO100L, PRO119L, PRO120L, PRO123H, PRO126H, PRO175H, PRO44L, PRO95L, SER116L, SER120H, SER121L, SER122L, SER129L, SER162L, SER168H, SER168L, SER174L, SER176H, SER176L, SER177L, SER180H, SER180L, SER186H, SER188H, SER189H, SER190H, SER47H, SER85L, THR114L, THR127L, THR131L, THR134H, THR135H, THR137H, THR139H, THR164L, THR167H, THR172L, THR173H, THR178L, THR192H, THR208L, THR97L, TRP103H, TRP157H, TRP200H, TRP35L, TRP36H, TRP96L, TRP97H, TYR102H, TYR122H, TYR173L, TYR185H, TYR186L, TYR32L, TYR36L, TYR49L, TYR50H, TYR50L, TYR59H, TYR86L, TYR87L, TYR91H, TYR91L, TYR94L, VAL115L, VAL121H, VAL133L, VAL136L, VAL138H, VAL144H, VAL159L, VAL163L, VAL171H, VAL177H, VAL191H, VAL37H, VAL48H, VAL63H, VAL69H