3RGV

a single tcr bound to mhci and mhc ii reveals switchable tcr conformers

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 101
  • Norm. En. per Res.: -4.292
• 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	-50.6966	-35.2822	179.958	93.9793	202	28	14	21510	8	41	32
A-C	0.0	0.0	-45.6973	-45.6973	43	0	2	2596	0	7	6
A-E	0.0	0.0	-11.911	-11.911	18	0	0	507	0	0	0
B-C	-5.0865	-11.9799	-71.6176	-88.6841	47	6	0	3363	0	17	16
B-E	0.0	-27.4686	-31.6601	-59.1287	16	0	1	1239	0	2	1
C-D	-27.849	-77.4006	-308.791	-414.0406	118	15	1	11279	6	36	31
C-E	-62.2066	-2.4506	-368.831	-433.4882	101	30	3	13164	0	5	7

Interface residues

• A-B: ALA103B, ALA117A, ALA122B, ALA129B, ALA137B, ALA143B, ALA171A, ALA173A, ALA178B, ALA185B, ALA194B, ALA233B, ALA235B, ALA90A, ALA90B, ALA91A, ARG106B, ARG122A, ARG162A, ARG189B, ARG191B, ARG34B, ARG42B, ARG7B, ARG98A, ASN169A, ASN176A, ASN29B, ASN92A, ASP115A, ASP123A, ASP128A, ASP136A, ASP148A, ASP150A, ASP155A, ASP160A, ASP169B, ASP194A, ASP36B, ASP57B, ASP97B, CYS132A, CYS141B, CYS157A, CYS167B, CYS182A, CYS89B, GLN106A, GLN120A, GLN135B, GLN145A, GLN171B, GLN176B, GLN35B, GLN37A, GLN44A, GLN48A, GLN4B, GLN97A, GLN9A, GLU120B, GLU125B, GLU128B, GLU130B, GLU175B, GLU234B, GLU41A, GLU54B, GLY100A, GLY102A, GLY102B, GLY104B, GLY145B, GLY165B, GLY38B, GLY40A, GLY40B, GLY42A, GLY56B, GLY94A, GLY96B, HIS133B, HIS163B, HIS39B, ILE111A, ILE131B, ILE153A, ILE44B, ILE58B, LEU121A, LEU133A, LEU139B, LEU142B, LEU159A, LEU173B, LEU186B, LEU190B, LEU41B, LEU43B, LEU45A, LEU46A, LEU47A, LEU99B, LYS104A, LYS125A, LYS129A, LYS136B, LYS156A, LYS167A, LYS174B, LYS55B, MET161A, MET164A, PHE101B, PHE124B, PHE134A, PHE137A, PHE166A, PHE196A, PHE196B, PHE197A, PHE204B, PHE33A, PHE88B, PHE94B, PHE99A, PRO114A, PRO116A, PRO126B, PRO170B, PRO172B, PRO177B, PRO198A, PRO200A, PRO30A, PRO43A, PRO59B, SER124A, SER126A, SER127A, SER127B, SER130A, SER132B, SER146A, SER149A, SER163A, SER164B, SER168A, SER170A, SER175A, SER187B, SER188B, SER193B, SER199A, SER232B, SER39A, SER93A, THR101A, THR134B, THR135A, THR138B, THR144B, THR154A, THR168B, THR195A, THR195B, THR31A, THR37B, THR50A, THR95A, THR98B, TRP174A, TRP197B, TRP236B, TRP34A, TRP95B, TYR100B, TYR119A, TYR152A, TYR184B, TYR31B, TYR33B, TYR35A, TYR38A, TYR46B, TYR48B, TYR88A, TYR96A, VAL118A, VAL121B, VAL123B, VAL131A, VAL140B, VAL143A, VAL151A, VAL158A, VAL166B, VAL172A, VAL192B, VAL86A, VAL86B
• A-C: ALA150C, ALA158C, ALA52A, ARG155C, ARG157C, ARG170C, ARG62C, ASN54A, ASN92A, ASP1A, CYS164C, GLN48A, GLN65C, GLN97A, GLU152C, GLU154C, GLU161C, GLU166C, GLU58C, GLU61C, GLU63C, GLY151C, GLY162C, GLY28A, GLY94A, LEU156C, LYS66C, LYS67A, PRO30A, SER93A, THR163C, THR27A, THR31A, THR50A, THR51A, THR95A, TRP167C, TYR159C, TYR29A, TYR59C, TYR65A, TYR96A, VAL49A
• A-E: ARG6E, ASN92A, ASP1A, GLN48A, GLY28A, GLY94A, ILE2E, PRO30A, SER93A, THR26A, THR27A, THR31A, THR50A, THR95A, TRP1E, TYR29A, TYR3E, VAL4E
• B-C: ALA150C, ALA50B, ALA67C, ARG155C, ARG62C, ARG66B, ARG75C, ARG79C, ASN26B, ASN28B, ASN29B, ASN70C, ASP77C, ASP93B, ASP97B, GLN65C, GLN69B, GLN72C, GLU152C, GLU19C, GLU54B, GLU61C, GLU63C, GLU70B, GLU71C, GLY49B, GLY51B, GLY69C, GLY96B, HIS27B, LEU43B, LYS66C, LYS68C, PHE74C, PHE94B, PRO43C, PRO67B, SER47B, SER52B, SER68B, SER73C, THR64C, TRP95B, TYR31B, TYR46B, TYR48B, VAL76C
• B-E: ARG6E, ASN26B, ASN28B, ASN29B, ASP93B, ASP97B, GLY92B, GLY96B, HIS27B, PHE94B, PRO7E, THR98B, TRP95B, TYR3E, TYR5E, VAL4E
• C-D: ALA117C, ALA11C, ALA125C, ALA211C, ALA236C, ARG111C, ARG12D, ARG14C, ARG202C, ARG21C, ARG234C, ARG35C, ARG48C, ARG6C, ARG97D, ASN21D, ASN24D, ASP119C, ASP122C, ASP238C, ASP30C, ASP37C, ASP53D, ASP59D, ASP96D, ASP98D, CYS25D, GLN114C, GLN115C, GLN242C, GLN29D, GLN2D, GLN6D, GLN87C, GLN8D, GLN96C, GLU229C, GLU232C, GLU24C, GLU32C, GLY0D, GLY120C, GLY207C, GLY237C, GLY239C, HIS13D, HIS188C, HIS191C, HIS192C, HIS31D, HIS34D, HIS67D, HIS93C, ILE124C, ILE1D, ILE22D, ILE64D, ILE7D, ILE95C, ILE98C, LEU206C, LEU230C, LEU65D, LYS243C, LYS3D, LYS58D, MET23C, MET51D, MET54D, MET99D, PHE241C, PHE56D, PHE62D, PHE8C, PRO14D, PRO15D, PRO235C, PRO32D, PRO33D, SER11D, SER121C, SER13C, SER246C, SER52D, SER55D, SER57D, SER61D, SER92C, SER99C, THR10C, THR190C, THR200C, THR233C, THR240C, THR28D, THR31C, THR94C, TRP204C, TRP244C, TRP60D, TRP95D, TYR10D, TYR113C, TYR116C, TYR118C, TYR123C, TYR26D, TYR27C, TYR63D, TYR7C, TYR85C, VAL12C, VAL231C, VAL25C, VAL27D, VAL97C, VAL9C, VAL9D
• C-E: ALA117C, ALA11C, ALA139C, ALA140C, ALA150C, ALA153C, ALA158C, ALA67C, ARG155C, ARG157C, ARG170C, ARG62C, ARG6C, ARG6E, ARG75C, ASN70C, ASN86C, ASP137C, ASP77C, CYS10E, CYS164C, CYS84C, GLN114C, GLN115C, GLN149C, GLN65C, GLN72C, GLN87C, GLN96C, GLU148C, GLU152C, GLU154C, GLU166C, GLU24C, GLU63C, GLU71C, GLY100C, GLY11E, GLY12E, GLY151C, GLY26C, GLY69C, GLY83C, GLY9E, HIS145C, ILE124C, ILE142C, ILE2E, ILE95C, ILE98C, LEU141C, LEU156C, LEU160C, LEU168C, LEU5C, LEU78C, LEU81C, LEU82C, LYS144C, LYS146C, LYS66C, LYS68C, MET138C, MET8E, PHE33C, PHE36C, PHE74C, PHE8C, PRO7E, SER13E, SER73C, SER99C, THR143C, THR163C, THR64C, THR80C, THR94C, TRP133C, TRP147C, TRP167C, TRP1E, TYR116C, TYR118C, TYR123C, TYR159C, TYR171C, TYR22C, TYR3E, TYR45C, TYR59C, TYR5E, TYR7C, TYR85C, VAL165C, VAL25C, VAL28C, VAL34C, VAL4E, VAL76C, VAL97C, VAL9C