3QDM

the complex between tcr dmf4 and human class i mhc hla-a2 with the bound mart-1(26-35)(a27l) decameric peptide

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 20
  • Norm. En. per Res.: -4.0826
• 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	-50.907	-85.0445	-361.946	-497.8975	127	5	2	12928	3	43	40
A-C	-28.476	12.9621	-298.171	-313.6849	92	10	9	10491	1	10	7
A-D	-11.016	-2.6391	-65.7067	-79.3618	56	4	1	3148	0	9	6
A-E	0.0	-26.2219	-57.2488	-83.4707	42	0	2	2811	1	16	12
C-D	-5.9953	0.0	-26.9033	-32.8986	23	0	1	1091	3	2	0
C-E	-18.2754	0.0	-63.376	-81.6514	20	3	3	2182	0	0	0
D-E	-59.9732	8.501	88.3858	36.9136	208	18	13	21704	4	42	31

Interface residues

• A-B: ALA117A, ALA125A, ALA236A, ALA246A, ALA24A, ALA40A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN21B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU229A, GLU232A, GLU46A, GLU50B, GLY120A, GLY237A, GLY239A, GLY26A, GLY29B, GLY91A, HIS114A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS93A, ILE124A, ILE1B, ILE23A, ILE7B, LEU201A, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET0B, MET189A, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PHE9A, PRO14B, PRO235A, PRO32B, SER11A, SER11B, SER13A, SER207A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, VAL12A, VAL231A, VAL25A, VAL27B, VAL34A, VAL95A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA149A, ALA150A, ALA153A, ALA158A, ALA24A, ALA3C, ALA69A, ARG157A, ARG170A, ARG65A, ARG6A, ARG75A, ARG82A, ARG97A, ASP77A, CYS164A, GLN155A, GLN72A, GLU148A, GLU154A, GLU166A, GLU1C, GLU55A, GLU63A, GLY100A, GLY162A, GLY26A, GLY4C, GLY62A, GLY6C, GLY79A, HIS114A, HIS151A, HIS70A, HIS74A, ILE124A, ILE52A, ILE5C, ILE7C, LEU126A, LEU156A, LEU160A, LEU168A, LEU2C, LEU78A, LEU81A, LEU8C, LYS144A, LYS146A, LYS66A, LYS68A, MET45A, MET5A, PHE22A, PHE33A, PHE36A, PHE8A, PHE9A, SER71A, THR142A, THR143A, THR163A, THR64A, THR73A, THR80A, THR9C, TRP133A, TRP147A, TRP167A, TRP51A, TRP60A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR7A, TYR84A, TYR85A, TYR99A, VAL10C, VAL152A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A, VAL95A
• A-D: ALA150A, ALA158A, ALA47D, ALA51D, ALA69A, ARG131A, ARG157A, ARG170A, ARG65A, ARG68D, ASN29D, ASN94D, ASP61A, CYS164A, GLN155A, GLN72A, GLN95D, GLU154A, GLU161A, GLU166A, GLU58A, GLU63A, GLY162A, GLY62A, GLY91D, GLY93D, HIS151A, HIS70A, ILE27D, ILE66D, LEU156A, LEU32D, LEU48D, LEU54D, LYS50D, LYS66A, LYS68A, LYS69D, PHE28D, PHE64D, SER25D, SER26D, SER71A, THR163A, THR30D, THR64A, THR67D, THR73A, THR92D, TRP167A, TYR159A, TYR49D, TYR59A, TYR97D, VAL152A, VAL67A
• A-E: ALA150A, ALA69A, ARG30E, ARG65A, ARG75A, ARG97A, ASN28E, ASP54E, ASP77A, GLN100E, GLN155A, GLN72A, GLU19A, GLU95E, GLY51E, GLY79A, GLY97E, GLY99E, HIS29E, HIS70A, HIS74A, LEU156A, LYS146A, LYS53E, LYS66A, LYS68A, PHE9A, PRO101E, SER71A, THR73A, THR80A, TRP147A, TYR31E, TYR48E, TYR50E, TYR99A, VAL152A, VAL52E, VAL67A, VAL76A, VAL96E, VAL98E
• C-D: ALA3C, ARG68D, ASN29D, ASN94D, GLU1C, GLY4C, GLY6C, GLY91D, GLY93D, ILE27D, ILE5C, ILE7C, LEU2C, LEU32D, LEU48D, LYS50D, PHE28D, PHE64D, PHE96D, THR30D, THR92D, TRP31D, TYR49D
• C-E: ALA3C, ARG30E, GLN100E, GLU95E, GLY4C, GLY6C, GLY97E, GLY99E, HIS29E, ILE5C, ILE7C, LEU2C, LEU8C, PRO101E, SER94E, THR9C, TYR31E, VAL10C, VAL96E, VAL98E
• D-E: ALA116D, ALA125E, ALA132E, ALA140E, ALA146E, ALA170D, ALA172D, ALA181E, ALA188E, ALA197E, ALA236E, ALA238E, ALA47D, ALA89D, ALA92E, ARG109E, ARG121D, ARG161D, ARG186E, ARG192E, ARG194E, ARG241E, ARG44E, ARG9E, ASN112D, ASN168D, ASN175D, ASN29D, ASN94D, ASP106E, ASP114D, ASP122D, ASP127D, ASP135D, ASP147D, ASP149D, ASP154D, ASP159D, ASP164D, ASP172E, ASP193D, ASP37D, ASP38E, ASP56E, CYS131D, CYS144E, CYS156D, CYS170E, CYS181D, CYS88D, CYS91E, GLN100E, GLN102E, GLN119D, GLN138E, GLN144D, GLN174E, GLN179E, GLN2D, GLN36D, GLN37E, GLN6E, GLN8D, GLN95D, GLU123E, GLU128E, GLU131E, GLU133E, GLU155E, GLU178E, GLU237E, GLU40D, GLU59E, GLU95E, GLY101D, GLY105E, GLY107E, GLY148E, GLY168E, GLY39D, GLY40E, GLY41D, GLY42E, GLY58E, GLY91D, GLY93D, GLY97E, GLY99D, GLY99E, HIS103E, HIS10E, HIS136E, HIS166E, HIS41E, HIS47E, ILE134E, ILE152D, ILE46D, ILE85D, ILE93E, LEU120D, LEU132D, LEU142E, LEU145E, LEU158D, LEU176E, LEU189E, LEU193E, LEU32D, LEU3D, LEU43E, LEU44D, LEU45E, LEU48D, LYS124D, LYS128D, LYS139E, LYS155D, LYS166D, LYS177E, LYS57E, MET160D, MET163D, MET32E, PHE104E, PHE127E, PHE133D, PHE136D, PHE165D, PHE185D, PHE195D, PHE196D, PHE199E, PHE207E, PHE87D, PHE90E, PHE96D, PHE98D, PRO101E, PRO115D, PRO129E, PRO173E, PRO175E, PRO180E, PRO38D, PRO39E, PRO42D, SER123D, SER125D, SER126D, SER129D, SER130E, SER135E, SER148D, SER162D, SER167D, SER167E, SER169D, SER174D, SER190E, SER191E, SER196E, SER49E, SER94E, THR100D, THR105D, THR134D, THR137E, THR141E, THR147E, THR153D, THR171E, THR194D, THR198E, THR30D, THR92D, TRP173D, TRP200E, TRP239E, TRP31D, TRP33D, TYR118D, TYR151D, TYR187E, TYR31E, TYR33E, TYR34D, TYR35E, TYR48E, TYR49D, TYR50E, TYR97D, VAL117D, VAL124E, VAL126E, VAL130D, VAL142D, VAL143E, VAL150D, VAL157D, VAL169E, VAL171D, VAL195E, VAL43D, VAL83D, VAL88E, VAL96E, VAL98E