3HG1

germline-governed recognition of a cancer epitope by an immunodominant human t cell receptor

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 93
  • Norm. En. per Res.: -3.8496
• 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	-14.1903	-89.601	-294.918	-398.7094	126	26	2	12674	3	43	43
A-C	-73.419	4.433	-289.023	-358.009	93	24	10	10634	1	10	7
A-D	-14.8344	-9.8881	-91.8566	-116.5791	58	4	1	3891	2	15	18
A-E	-2.4	-19.2547	-63.8554	-85.51	54	5	2	3752	2	10	7
C-D	-13.5529	0.0	-34.3291	-47.882	24	2	1	1306	0	2	1
C-E	-9.6568	0.0	-53.0282	-62.685	19	4	2	2056	0	0	0
D-E	-66.2408	-60.4047	281.619	154.9735	212	49	13	22860	5	49	44

Interface residues

• A-B: ALA117A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN24B, ASP119A, ASP122A, ASP238A, 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, HIS74A, HIS93A, ILE124A, ILE1B, ILE23A, ILE35B, ILE7B, 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, PRO47A, SER11A, SER11B, SER13A, SER207A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR233A, THR240A, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR85A, TYR99A, VAL12A, VAL231A, VAL25A, VAL27B, VAL34A, VAL95A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA24A, ALA3C, ALA69A, ARG157A, ARG170A, ARG35A, ARG65A, ARG6A, ARG75A, ARG97A, ASP77A, CYS164A, GLN155A, GLN72A, GLN96A, GLU148A, GLU154A, GLU166A, GLU1C, GLU55A, GLU63A, GLY100A, GLY26A, GLY4C, GLY62A, GLY6C, GLY79A, HIS114A, HIS145A, 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, VAL165A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A, VAL95A
• A-D: ALA150A, ALA153A, ALA158A, ALA68D, ALA69A, ALA94D, ARG157A, ARG169A, ARG170A, ARG28D, ARG65A, ASN53D, ASN92D, ASP27D, ASP61A, CYS164A, GLN155A, GLN31D, GLN70D, GLU154A, GLU161A, GLU166A, GLU3D, GLU58A, GLU63A, GLY162A, GLY29D, GLY62A, GLY95D, HIS151A, HIS70A, ILE50D, LEU156A, LEU65D, LYS56D, LYS66A, LYS67D, LYS68A, LYS96D, MET5A, PHE33D, PHE49D, SER30D, SER32D, SER52D, SER97D, THR163A, THR64A, THR98D, TRP167A, TRP60A, TYR159A, TYR25D, TYR51D, TYR59A, VAL152A, VAL67A, VAL93D
• A-E: ALA150A, ALA69A, ARG44A, ARG65A, ARG68E, ARG75A, ARG97A, ASN30E, ASN32E, ASP61A, ASP77A, GLN155A, GLN43A, GLN55E, GLN72A, GLU102E, GLU19A, GLU59E, GLU63A, GLU95E, GLY101E, GLY52E, GLY62A, GLY97E, GLY99E, HIS151A, HIS70A, HIS74A, ILE53E, ILE56E, LEU156A, LEU46E, LEU98E, LYS146A, LYS66A, LYS68A, PHE36A, PRO31E, SER29E, SER50E, SER57E, SER58E, SER71A, THR100E, THR64A, THR73A, THR96E, TYR34E, TYR49E, TYR99A, VAL152A, VAL51E, VAL67A, VAL76A
• C-D: ALA3C, ALA94D, ARG28D, ASN92D, ASP27D, GLN31D, GLU1C, GLY29D, GLY4C, GLY6C, GLY95D, ILE50D, ILE5C, LEU2C, LYS67D, LYS96D, PHE33D, PHE34D, PHE49D, SER30D, SER32D, SER52D, TYR51D, VAL93D
• C-E: ALA3C, ASN30E, ASN32E, GLU102E, GLU95E, GLY101E, GLY4C, GLY6C, GLY97E, GLY99E, ILE5C, ILE7C, LEU2C, LEU8C, LEU98E, SER29E, THR100E, THR96E, THR9C
• D-E: ALA117D, ALA126E, ALA133E, ALA141E, ALA147E, ALA171D, ALA173D, ALA182E, ALA189E, ALA198E, ALA237E, ALA239E, ALA39E, ALA40E, ALA85D, ALA90D, ALA92E, ALA94D, ARG110E, ARG122D, ARG162D, ARG187E, ARG193E, ARG195E, ARG242E, ARG37D, ARG37E, ARG42E, ASN113D, ASN169D, ASN32E, ASN92D, ASP101D, ASP115D, ASP123D, ASP128D, ASP136D, ASP150D, ASP155D, ASP160D, ASP165D, ASP173E, ASP194D, CYS132D, CYS145E, CYS157D, CYS171E, CYS89D, CYS91E, GLN112D, GLN120D, GLN139E, GLN145D, GLN175E, GLN180E, GLN31D, GLN38D, GLN38E, GLN45E, GLN6D, GLN6E, GLU102E, GLU107E, GLU129E, GLU132E, GLU134E, GLU156E, GLU179E, GLU193D, GLU238E, GLU45D, GLU59E, GLY100D, GLY101E, GLY102D, GLY106E, GLY108E, GLY149E, GLY169E, GLY41D, GLY41E, GLY43E, GLY95D, GLY97E, GLY99E, HIS137E, HIS154E, HIS167E, HIS207E, ILE111D, ILE135E, ILE153D, ILE191D, ILE47D, ILE4E, ILE50D, LEU103E, LEU121D, LEU133D, LEU143E, LEU146E, LEU159D, LEU177E, LEU190E, LEU194E, LEU44E, LEU46D, LEU46E, LEU88D, LEU90E, LEU98E, LYS125D, LYS129D, LYS140E, LYS156D, LYS167D, LYS178E, LYS42D, LYS56D, LYS96D, MET161D, MET164D, MET48D, PHE104E, PHE105E, PHE128E, PHE134D, PHE137D, PHE150E, PHE166D, PHE200E, PHE208E, PHE33D, PHE34D, PHE49D, PHE88E, PHE99D, PRO114D, PRO116D, PRO130E, PRO174E, PRO176E, PRO181E, PRO192D, PRO44D, SER109E, SER124D, SER126D, SER127D, SER130D, SER131E, SER136E, SER146D, SER149D, SER163D, SER168D, SER168E, SER170D, SER175D, SER186E, SER191E, SER192E, SER197E, SER1E, SER236E, SER32D, SER40D, SER43D, SER8D, SER94E, SER97D, THR100E, THR103D, THR104D, THR106D, THR135D, THR138E, THR142E, THR148E, THR154D, THR172E, THR195D, THR86D, THR98D, TRP159E, TRP174D, TRP201E, TRP240E, TYR119D, TYR152D, TYR188E, TYR34E, TYR36D, TYR36E, TYR39D, TYR49E, TYR51D, TYR87D, TYR89E, VAL118D, VAL127E, VAL131D, VAL143D, VAL144E, VAL151D, VAL158D, VAL170E, VAL172D, VAL196E, VAL51E, VAL91D, VAL93D