2IAM

structural basis for recognition of mutant self by a tumor- specific, mhc class ii-restricted tcr

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 201
  • Norm. En. per Res.: -5.1441
• 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	-187.1151	-113.4748	-733.372	-1033.9618	201	34	9	27611	10	66	59
A-P	-60.8472	-17.2	-170.694	-248.7412	54	14	7	6468	1	7	6
A-C	0.0	-2.0547	-30.1108	-32.1655	19	2	0	1220	0	1	1
A-D	0.0	5.3535	-37.2983	-31.9448	31	0	5	2035	0	2	4
B-P	-35.9613	-7.192	-155.315	-198.4683	54	5	6	5858	0	6	3
B-C	-6.8916	-33.3664	-83.0528	-123.3108	48	5	1	3419	4	7	7
B-D	-10.8006	8.9282	-49.2586	-51.131	25	4	0	1441	0	6	4
P-C	-4.9465	14.593	-47.5043	-37.8578	23	4	1	1917	0	1	1
P-D	-30.6646	1.2297	-49.7244	-79.1594	25	7	0	1709	0	2	2
C-D	-104.8926	-15.6471	81.7929	-38.7468	218	35	16	23798	6	38	28

Interface residues

• A-B: ALA10A, ALA52A, ALA58B, ALA68A, ARG140A, ARG146A, ARG23B, ARG25B, ARG29B, ARG39B, ARG44A, ARG4B, ARG50A, ARG55B, ARG6B, ARG71B, ARG76A, ARG80B, ARG93B, ARG94B, ASN103A, ASN118A, ASN150B, ASN15A, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN94A, ASP142A, ASP152B, ASP17A, ASP181A, ASP25A, ASP27A, ASP29A, ASP2B, ASP57B, ASP66A, CB6.39411-64.71756, CB9.47449-29.12579, CB9.80771-17.21306, CYS107A, CYS15B, CYS30B, CYS79B, GLN10B, GLN149B, GLN156B, GLN18A, GLN34B, GLN92B, GLN9A, GLU101A, GLU11A, GLU141A, GLU14B, GLU166A, GLU21A, GLU28B, GLU30A, GLU35B, GLU36B, GLU3A, GLU3A5, GLU47A, GLU4A, GLU52B, GLU71A, GLU87B, GLU98A, GLY121B, GLY125B, GLY151B, GLY1B, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY84B, GLY86B, HIS143A, HIS149A, HIS16B, HIS5A, HIS81B, ILE106A, ILE148B, ILE31A, ILE31B, ILE63A, ILE72A, ILE7A, ILE82A, ILE8A, LEU11B, LEU138A, LEU144A, LEU14A, LEU158B, LEU26B, LEU27B, LEU45A, LEU53B, LEU70A, LEU8B, LEU92A, LYS12B, LYS147A, LYS67A, LYS75A, LYS98B, MET23A, MET73A, PHE108A, PHE112A, PHE12A, PHE137A, PHE13B, PHE145A, PHE148A, PHE155B, PHE17B, PHE180A, PHE18B, PHE22A, PHE24A, PHE26A, PHE32A, PHE48A, PHE51A, PHE54A, PHE7B, PHE89B, PRO114A, PRO115A, PRO124B, PRO139A, PRO16A, PRO56B, PRO5B, PRO81A, PRO96A, SER104B, SER118B, SER120B, SER133A, SER19A, SER37B, SER53A, SER77A, SER88B, SER95A, THR100B, THR113A, THR135A, THR145B, THR154B, THR157B, THR21B, THR3B, THR51B, THR74A, THR80A, THR83A, THR90A, THR90B, THR93A, TRP153B, TRP168A, TRP43A, TRP61B, TRP9B, TYR102B, TYR123B, TYR13A, TYR150A, TYR32B, TYR60B, TYR78B, TYR79A, TYR83B, VAL101B, VAL104A, VAL116A, VAL119B, VAL24B, VAL38B, VAL50B, VAL65A, VAL6A, VAL85A, VAL85B, VAL91B, VAL95B, VAL97A, VAL99B
• A-P: ALA31P, ALA32P, ALA36P, ALA52A, ALA56A, ALA59A, ALA61A, ALA64A, ALA68A, ARG50A, ARG76A, ASN30P, ASN62A, ASN69A, ASP37P, ASP66A, GLN57A, GLN9A, GLU11A, GLU24P, GLU47A, GLU55A, GLU71A, GLY23P, GLY27P, GLY49A, GLY58A, ILE26P, ILE28P, ILE31A, ILE63A, ILE72A, ILE7A, LEU25P, LEU29P, LEU60A, LEU70A, LYS33P, LYS67A, LYS75A, MET73A, PHE22A, PHE24A, PHE32A, PHE48A, PHE51A, PHE54A, PRO35P, SER53A, THR41A, TRP43A, VAL34A, VAL34P, VAL65A
• A-C: ALA56A, ALA59A, ALA61A, ALA93C, ASN62A, GLN57A, GLN91C, GLN94C, GLU55A, GLY58A, GLY92C, ILE90C, LEU60A, LYS95C, PHE22A, PHE24A, PHE32A, PHE54A, SER53A
• A-D: ALA52D, ALA56A, ALA59A, ALA61A, ALA64A, ARG68D, ASN28D, ASN30D, ASN62A, ASN69A, ASP56D, ASP66A, GLN57A, GLU55A, GLY51D, GLY53D, GLY58A, HIS96D, ILE54D, ILE63A, LEU60A, LYS39A, LYS57D, SER49D, THR55D, THR71D, TYR31D, TYR48D, TYR95D, VAL50D, VAL65A
• B-P: ALA31P, ALA32P, ALA36P, ALA58B, ALA73B, ALA74B, ARG55B, ARG71B, ARG72B, ASN30P, ASN82B, ASP57B, CYS15B, CYS30B, CYS79B, GLN64B, GLN70B, GLU14B, GLU24P, GLU28B, GLU59B, GLY23P, GLY27P, GLY54B, GLY84B, GLY86B, HIS81B, ILE26P, ILE28P, LEU11B, LEU25P, LEU26B, LEU27B, LEU29P, LEU67B, LYS33P, PHE13B, PHE40B, PHE89B, PRO35P, PRO56B, SER37B, SER63B, THR77B, TRP61B, TRP9B, TYR47B, TYR60B, TYR78B, TYR83B, VAL34P, VAL38B, VAL75B, VAL85B
• B-C: ALA64C, ALA73B, ALA74B, ARG67C, ARG71B, ARG72B, ARG80B, ASN29C, ASN30C, ASN82B, ASP26C, ASP66B, ASP76B, CYS79B, GLN32C, GLN70B, GLN91C, GLN94C, GLU66C, GLU69B, GLY51C, GLY84B, GLY92C, HIS81B, ILE48C, LEU31C, LEU67B, LEU68B, LEU89C, LYS53C, LYS65B, PHE24C, PHE46C, PRO49C, SER25C, SER27C, SER50C, THR21B, THR52C, THR62C, THR65C, THR77B, TYR47C, TYR78B, VAL28C, VAL63C, VAL75B, VAL85B
• B-D: ARG71B, ASN28D, ASP66B, GLN64B, GLN70B, GLU28B, GLU69B, GLY97D, GLY99D, HIS29D, HIS96D, LEU11B, LEU67B, LEU68B, LYS65B, MET27D, PHE13B, THR94D, THR98D, TRP61B, TYR100D, TYR31D, TYR47B, TYR60B, TYR95D
• P-C: ALA93C, ARG67C, ASN29C, ASN30C, ASN30P, ASP26C, GLN91C, GLN94C, GLU24P, GLY23P, GLY27P, GLY92C, ILE1C, ILE26P, ILE28P, ILE90C, LEU25P, LEU29P, LEU89C, SER25C, SER27C, TYR47C, VAL28C
• P-D: ALA31P, ALA32P, ALA36P, ALA52D, ARG68D, ASN28D, ASN30D, ASN30P, GLN25D, GLU72D, GLY51D, GLY97D, HIS29D, HIS96D, ILE28P, LEU29P, LYS33P, MET27D, PRO35P, THR71D, THR94D, TYR31D, TYR95D, VAL34P, VAL50D
• C-D: ALA116C, ALA122D, ALA129D, ALA137D, ALA143D, ALA170C, ALA172C, ALA178D, ALA185D, ALA194D, ALA233D, ALA235D, ALA87C, ALA88C, ALA92D, ALA93C, ARG103C, ARG121C, ARG161C, ARG183D, ARG189D, ARG191D, ARG238D, ASN112C, ASN168C, ASN175C, ASN30C, ASN30D, ASN37C, ASN44C, ASP114C, ASP122C, ASP127C, ASP135C, ASP149C, ASP154C, ASP159C, ASP169D, ASP193C, ASP56D, CYS131C, CYS141D, CYS156C, CYS167D, CYS181C, CYS86C, CYS91D, GLN100C, GLN119C, GLN135D, GLN144C, GLN171D, GLN176D, GLN32C, GLN36C, GLN37D, GLN41C, GLN6D, GLN94C, GLU103D, GLU120D, GLU125D, GLU128D, GLU130D, GLU152D, GLU175D, GLU234D, GLU59D, GLY101C, GLY102D, GLY104D, GLY145D, GLY165D, GLY40C, GLY40D, GLY42D, GLY58D, GLY92C, GLY97D, GLY99C, GLY99D, HIS133D, HIS163D, HIS35C, HIS96D, ILE110C, ILE131D, ILE152C, ILE43C, ILE46D, ILE48C, ILE90C, LEU120C, LEU132C, LEU139D, LEU142D, LEU158C, LEU173D, LEU186D, LEU190D, LEU31C, LEU42C, LEU43D, LEU45C, LEU45D, LEU89C, LEU96C, LYS124C, LYS128C, LYS136D, LYS155C, LYS166C, LYS174D, LYS44D, LYS53C, LYS57D, LYS95C, LYS9D, MET160C, MET163C, MET32D, MET41D, PHE101D, PHE124D, PHE133C, PHE136C, PHE146D, PHE165C, PHE185C, PHE195C, PHE196C, PHE196D, PHE204D, PHE34C, PHE46C, PHE85C, PHE90D, PHE98C, PRO113C, PRO115C, PRO126D, PRO170D, PRO172D, PRO177D, PRO197C, PRO38C, PRO39D, PRO49C, PRO61D, SER105D, SER123C, SER125C, SER126C, SER127D, SER129C, SER132D, SER145C, SER148C, SER162C, SER164D, SER167C, SER169C, SER174C, SER182D, SER187D, SER188D, SER193D, SER198C, SER49D, SER81C, SER93D, THR134C, THR134D, THR138D, THR144D, THR153C, THR168D, THR195D, THR78C, THR94D, THR98D, TRP106D, TRP155D, TRP173C, TRP197D, TRP236D, TRP33C, TRP39C, TYR100D, TYR118C, TYR151C, TYR184D, TYR31D, TYR33D, TYR35D, TYR47C, TYR47D, TYR48D, TYR89D, TYR95D, VAL117C, VAL121D, VAL123D, VAL130C, VAL140D, VAL142C, VAL150C, VAL151D, VAL157C, VAL162D, VAL166D, VAL171C, VAL192D, VAL50D, VAL60D, VAL83C, VAL88D, VAL97C