3QJF

crystal structure of the 2b4 tcr

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 87
  • Norm. En. per Res.: -2.6114
• Hub Node: A(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
A-B	-129.6709	-32.4355	305.588	143.4816	224	26	13	23942	9	44	31
A-C	-64.0654	-9.8527	-153.271	-227.189	87	18	1	8026	0	12	19
A-D	0.0	0.0	-20.695	-20.695	28	0	0	1082	0	4	4
B-C	0.0	0.0	-38.439	-38.439	40	3	0	1796	0	6	10
C-D	-126.7492	-31.8958	327.787	169.142	218	34	14	23990	9	47	34

Interface residues

• A-B: ALA118A, ALA126B, ALA133B, ALA141B, ALA147B, ALA172A, ALA174A, ALA182B, ALA189B, ALA198B, ALA237B, ALA239B, ALA30A, ALA49A, ALA87A, ALA88A, ALA93B, ARG110B, ARG123A, ARG163A, ARG187B, ARG193B, ARG195B, ARG242B, ARG29A, ARG39A, ARG90A, ARG9B, ASN114A, ASN170A, ASN37A, ASN38B, ASN40B, ASN41B, ASN44A, ASN48B, ASN95A, ASN96A, ASP101B, ASP116A, ASP124A, ASP129A, ASP137A, ASP149A, ASP151A, ASP156A, ASP161A, ASP166A, ASP173B, ASP195A, ASP59B, CYS133A, CYS145B, CYS158A, CYS171B, CYS210B, CYS86A, CYS92B, GLN100B, GLN102A, GLN103B, GLN121A, GLN139B, GLN146A, GLN175B, GLN180B, GLN2A, GLN32A, GLN36A, GLN37B, GLN50B, GLN56B, GLN57B, GLU124B, GLU129B, GLU132B, GLU134B, GLU156B, GLU165B, GLU179B, GLU238B, GLU42B, GLY101A, GLY103A, GLY106B, GLY108B, GLY149B, GLY169B, GLY40A, HIS137B, HIS167B, HIS207B, HIS29B, ILE135B, ILE154A, ILE43A, ILE47B, ILE58B, LEU122A, LEU134A, LEU143B, LEU146B, LEU157B, LEU160A, LEU177B, LEU190B, LEU194B, LEU42A, LEU46B, LEU48A, LEU55B, LEU78A, LEU89A, LEU89B, LEU91B, LEU96B, LEU98A, LYS126A, LYS130A, LYS140B, LYS157A, LYS168A, LYS178B, LYS44B, LYS53A, LYS97A, MET162A, MET165A, PHE100A, PHE105B, PHE128B, PHE135A, PHE138A, PHE167A, PHE187A, PHE197A, PHE198A, PHE200B, PHE208B, PHE33B, PHE34A, PHE43B, PHE45B, PHE46A, PHE85A, PRO107B, PRO115A, PRO117A, PRO130B, PRO174B, PRO176B, PRO181B, PRO199A, PRO201A, SER125A, SER127A, SER128A, SER131A, SER131B, SER136B, SER147A, SER150A, SER158B, SER164A, SER168B, SER169A, SER171A, SER176A, SER186B, SER191B, SER192B, SER197B, SER200A, SER236B, SER2B, SER38A, SER41A, SER8A, SER94B, SER95B, SER99B, THR102B, THR104A, THR136A, THR138B, THR142B, THR148B, THR155A, THR172B, THR196A, THR199B, THR83A, THR99A, TRP159B, TRP175A, TRP201B, TRP240B, TRP33A, TRP34B, TYR104B, TYR10B, TYR120A, TYR153A, TYR188B, TYR215B, TYR35B, TYR47A, TYR84A, VAL105A, VAL119A, VAL125B, VAL127B, VAL132A, VAL144A, VAL144B, VAL152A, VAL155B, VAL159A, VAL166B, VAL170B, VAL173A, VAL196B, VAL31A, VAL31B
• A-C: ALA19A, ALA19C, ALA76C, ALA9A, ALA9C, ARG21A, ARG21C, ARG74C, ASN189A, ASN189C, ASN23A, ASN23C, ASP149A, ASP149C, ASP151A, ASP151C, ASP75C, CYS22A, GLN102A, GLN102C, GLN141C, GLN146A, GLN146C, GLN5A, GLN5C, GLU14A, GLU14C, GLU4A, GLU4C, GLY101A, GLY103A, GLY103C, GLY15A, GLY15C, GLY17A, GLY17C, HIS13A, HIS13C, HIS72A, HIS72C, ILE109A, ILE109C, ILE154A, ILE154C, LEU106A, LEU106C, LEU10A, LEU10C, LEU12A, LEU12C, LEU20A, LEU20C, LYS148A, LYS148C, PRO7A, PRO7C, SER107A, SER107C, SER11A, SER11C, SER140C, SER145A, SER145C, SER147A, SER147C, SER150A, SER150C, SER18A, SER18C, SER6A, SER6C, SER8A, SER8C, THR104A, THR104C, THR16A, THR16C, TRP175C, TYR153A, TYR153C, VAL105A, VAL105C, VAL108A, VAL108C, VAL152A, VAL152C, VAL3A
• A-D: ALA182D, ASN143A, ASN184D, ASN185A, ASN188A, ASN189A, ASN38D, ASN40D, ASP139A, ASP149A, GLN141A, GLN146A, GLN180D, GLU179D, GLU194A, GLU42D, ILE191A, LEU177D, LEU183D, LYS148A, LYS178D, LYS39D, PHE187A, PRO181D, SER145A, SER147A, SER190A, THR142A
• B-C: ALA182B, ALA84B, ASN143C, ASN184B, ASN185C, ASN188C, ASN189C, ASN38B, ASN40B, ASN41B, ASP139C, ASP149C, ASP185B, GLN141C, GLN146C, GLN15B, GLN175B, GLN180B, GLU179B, GLU194C, GLU42B, GLY85B, ILE191C, ILE192C, LEU177B, LEU183B, LYS148C, LYS178B, LYS39B, PHE187C, PRO181B, PRO193C, SER140C, SER145C, SER147C, SER190C, SER87B, THR142C, TYR188B, VAL113B
• C-D: ALA118C, ALA126D, ALA133D, ALA141D, ALA147D, ALA172C, ALA174C, ALA182D, ALA189D, ALA198D, ALA237D, ALA239D, ALA30C, ALA49C, ALA87C, ALA88C, ALA93D, ARG110D, ARG123C, ARG163C, ARG187D, ARG193D, ARG195D, ARG242D, ARG29C, ARG39C, ARG90C, ARG9D, ASN170C, ASN177C, ASN37C, ASN38D, ASN40D, ASN41D, ASN44C, ASN48D, ASN95C, ASN96C, ASN97D, ASP101D, ASP116C, ASP124C, ASP137C, ASP149C, ASP151C, ASP156C, ASP161C, ASP166C, ASP173D, ASP195C, ASP1C, CYS133C, CYS145D, CYS158C, CYS171D, CYS86C, CYS92D, GLN100D, GLN102C, GLN103D, GLN121C, GLN139D, GLN146C, GLN175D, GLN180D, GLN2C, GLN32C, GLN36C, GLN36D, GLN37D, GLN50D, GLN56D, GLN57D, GLU124D, GLU129D, GLU132D, GLU134D, GLU156D, GLU165D, GLU179D, GLU238D, GLU42D, GLY101C, GLY103C, GLY106D, GLY108D, GLY149D, GLY169D, GLY40C, HIS137D, HIS167D, HIS207D, HIS29D, ILE112C, ILE135D, ILE154C, ILE43C, ILE47D, ILE58D, LEU122C, LEU134C, LEU143D, LEU146D, LEU157D, LEU160C, LEU177D, LEU190D, LEU194D, LEU42C, LEU46D, LEU48C, LEU55D, LEU78C, LEU89C, LEU89D, LEU91D, LEU96D, LEU98C, LYS126C, LYS130C, LYS140D, LYS157C, LYS168C, LYS178D, LYS44D, LYS53C, LYS97C, MET162C, MET165C, PHE100C, PHE105D, PHE128D, PHE135C, PHE138C, PHE167C, PHE187C, PHE197C, PHE198C, PHE200D, PHE208D, PHE33D, PHE34C, PHE43D, PHE45D, PHE46C, PHE49D, PHE85C, PRO107D, PRO115C, PRO117C, PRO130D, PRO174D, PRO176D, PRO181D, PRO199C, SER125C, SER127C, SER131C, SER131D, SER136D, SER147C, SER150C, SER158D, SER164C, SER168D, SER169C, SER171C, SER176C, SER186D, SER191D, SER192D, SER197D, SER38C, SER41C, SER94D, SER95D, THR102D, THR104C, THR136C, THR138D, THR142D, THR148D, THR155C, THR172D, THR199D, THR83C, THR99C, TRP175C, TRP201D, TRP240D, TRP33C, TRP34D, TYR104D, TYR10D, TYR120C, TYR153C, TYR188D, TYR215D, TYR35D, TYR47C, TYR84C, VAL105C, VAL119C, VAL125D, VAL127D, VAL132C, VAL144C, VAL144D, VAL152C, VAL155D, VAL159C, VAL166D, VAL170D, VAL173C, VAL196D, VAL31C, VAL31D, VAL3C