3MBE

tcr 21.30 in complex with mhc class ii i-ag7hel(11-27)

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: P-D
  • Int. Res.: 28
  • Norm. En. per Res.: -5.3465
• 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	-172.0135	-145.0692	-728.428	-1045.5107	199	43	10	27612	10	70	71
A-P	-13.4349	5.0964	-165.467	-173.8055	59	10	4	6521	0	11	11
A-C	0.0	2.8818	-23.2251	-20.3433	22	4	0	1023	0	2	2
A-D	-15.7219	-20.2203	-62.6175	-98.5597	37	5	2	2389	0	11	10
B-P	-44.2042	-28.4911	-197.103	-269.7983	64	13	4	6390	3	19	16
B-C	-17.5605	-51.0154	-89.6562	-158.232	46	8	1	4335	5	19	20
B-D	0.0	0.4036	-22.1837	-21.7801	19	0	0	985	0	4	4
P-C	-9.3422	-22.2051	-47.0324	-78.5797	27	3	0	1870	2	7	10
P-D	-21.6521	-48.0543	-79.9952	-149.7016	28	4	0	2601	2	3	5
C-D	-37.2019	-26.8012	196.342	132.339	207	35	15	21097	4	47	43
E-F	-176.9683	-143.0542	-734.083	-1054.1054	198	43	10	27677	9	70	71
E-Q	-20.2567	5.0569	-157.655	-172.8549	58	10	4	6413	0	11	11
E-G	0.0	2.5762	-23.6261	-21.0499	21	3	0	1037	0	2	2
E-H	-13.0397	-20.9811	-67.1372	-101.158	39	9	2	2578	0	12	10
F-Q	-47.0242	-29.2144	-200.959	-277.1976	64	12	4	6395	3	19	16
F-G	-16.251	-50.0036	-82.4009	-148.6555	45	10	1	4302	3	19	21
F-H	-3.6881	7.511	-17.7284	-13.9055	18	0	0	897	0	5	4
Q-G	-9.0528	-22.8421	-48.965	-80.8599	28	2	0	1892	2	7	10
Q-H	-22.9403	-50.6387	-70.2051	-143.7842	27	7	0	2577	2	3	5
G-H	-38.7359	-26.7441	137.007	71.527	207	37	15	21016	4	47	43

Interface residues

• A-B: ALA100B, ALA125B, ALA181A, ALA2A, ALA49B, ALA58B, ALA65A, ALA78B, ALA82A, ARG105B, ARG141A, ARG149B, ARG23B, ARG25B, ARG29B, ARG34B, ARG39B, ARG44A, ARG55B, ARG5B, ARG70B, ARG76A, ARG80B, ARG93B, ARG94B, ASN103A, ASN111A, ASN140A, ASN150B, ASN19B, ASN33B, ASN62A, ASN69A, ASN78A, ASN82B, ASN84A, ASN98B, ASP121B, ASP142A, ASP152B, ASP182A, ASP1A, ASP27A, ASP29A, ASP3A, ASP41B, ASP43B, CYS117B, CYS15B, CYS79B, GLN10B, GLN14A, GLN156B, GLN21A, GLN50A, GLN61A, GLU14B, GLU1A, GLU25A, GLU30A, GLU35B, GLU36B, GLU47A, GLU52B, GLU66A, GLU74B, GLU85A, GLU85B, GLU87B, GLU95B, GLY13B, GLY151B, GLY17A, GLY20A, GLY20B, GLY28A, GLY49A, GLY54B, GLY6A, GLY71A, GLY9A, HIS143A, HIS146A, HIS24A, HIS4A, HIS56B, HIS68A, HIS6B, HIS81B, HIS9B, ILE101B, ILE106A, ILE112A, ILE148B, ILE19A, ILE1A, ILE24B, ILE31B, ILE52A, ILE63A, ILE72A, LEU138A, LEU148A, LEU158B, LEU26B, LEU31A, LEU38B, LEU45A, LEU51A, LEU53A, LEU53B, LEU70A, LEU73A, LEU75B, LEU92B, LEU98A, LYS12B, LYS67A, LYS75A, LYS94A, PHE108A, PHE113A, PHE11B, PHE122B, PHE145A, PHE155B, PHE17B, PHE26A, PHE32A, PHE48A, PHE54A, PHE79A, PHE7A, PHE7B, PHE92A, PRO114A, PRO115A, PRO124B, PRO16A, PRO46A, PRO81A, PRO89B, PRO93A, PRO96A, SER102B, SER118B, SER144A, SER15A, SER57B, SER77A, SER91B, SER95A, THR104A, THR10A, THR11A, THR120B, THR135A, THR154B, THR18B, THR21B, THR23A, THR28B, THR51B, THR74A, THR80A, THR83A, THR86B, THR90A, THR90B, TRP153B, TRP168A, TRP43A, TYR123B, TYR133A, TYR13A, TYR150A, TYR16B, TYR22A, TYR30B, TYR32B, TYR37B, TYR60B, TYR61B, TYR66B, TYR83B, TYR8A, VAL116A, VAL116B, VAL119B, VAL12A, VAL139A, VAL157B, VAL27B, VAL50B, VAL5A, VAL88B, VAL8B, VAL97A, VAL99B
• A-P: ALA11P, ALA64A, ALA65A, ARG14P, ARG21P, ARG76A, ASN19P, ASN62A, ASN69A, ASP18P, GLN50A, GLN61A, GLU25A, GLU55A, GLU66A, GLY10P, GLY16P, GLY22P, GLY26P, GLY49A, GLY58A, GLY59A, GLY6A, GLY71A, GLY9A, HIS15P, HIS24A, HIS68A, ILE52A, ILE63A, ILE72A, LEU17P, LEU25P, LEU31A, LEU51A, LEU53A, LEU70A, LEU73A, LYS13P, LYS67A, LYS75A, MET12P, PHE26A, PHE32A, PHE48A, PHE54A, PHE7A, PRO56A, SER24P, THR10A, THR11A, THR23A, THR41A, TRP43A, TYR20P, TYR22A, TYR23P, TYR8A, VAL12A
• A-C: ASN114C, ASN62A, ASP108C, GLN57A, GLN61A, GLU107C, GLU55A, GLY109C, GLY110C, GLY113C, GLY58A, GLY59A, HIS24A, LEU53A, LEU60A, LYS115C, LYS37C, PHE54A, PRO56A, SER112C, TYR22A, TYR8A
• A-D: ALA112D, ALA64A, ALA65A, ARG110D, ASN28D, ASN62A, ASN69A, ASP109D, ASP37D, ASP64D, GLN57A, GLN61A, GLN84D, GLU66A, GLU67D, GLY58A, GLY59A, GLY9A, HIS68A, ILE63A, ILE72A, LEU60A, LYS39A, LYS67A, LYS68D, PRO56A, SER56D, SER65D, THR11A, THR66D, TRP108D, TYR22A, TYR38D, TYR40D, TYR55D, TYR57D, VAL58D
• B-P: ALA73B, ALA78B, ARG14P, ARG21P, ARG25B, ARG29B, ARG70B, ARG72B, ARG80B, ASN19P, ASN82B, ASP18P, ASP76B, CYS15B, CYS79B, GLN10B, GLN64B, GLU14B, GLU74B, GLU84B, GLU85B, GLU87B, GLY13B, GLY16P, GLY22P, HIS15P, HIS56B, HIS81B, HIS9B, ILE31B, LEU17P, LEU25P, LEU26B, LEU38B, LEU68B, LEU75B, LYS12B, LYS13P, MET12P, PHE11B, PHE17B, PHE40B, PRO89B, SER24P, SER57B, SER91B, THR28B, THR71B, THR77B, THR86B, THR90B, TRP153B, TYR16B, TYR20P, TYR23P, TYR30B, TYR37B, TYR47B, TYR60B, TYR61B, TYR66B, TYR83B, VAL27B, VAL88B
• B-C: ALA57C, ALA73B, ALA78B, ARG70B, ARG72B, ARG80B, ARG85C, ASN114C, ASN82B, ASN84C, ASP108C, ASP76B, CYS79B, GLN64B, GLN64C, GLU107C, GLU69B, GLU74B, GLU84B, GLU85B, GLY109C, GLY110C, GLY65C, HIS81B, ILE24B, LEU56C, LEU68B, LEU75B, LYS37C, LYS67C, LYS84C, MET29C, PHE40B, PHE83C, SER26C, SER38C, SER84C, THR21B, THR27C, THR28C, THR66C, THR71B, THR77B, TYR55C, TYR66B, VAL39C
• B-D: ALA112D, ARG110D, ARG70B, ASN114D, ASP109D, GLN64B, GLU69B, GLU74B, GLY113D, HIS29D, LEU68B, LYS63B, PHE11B, THR115D, TRP108D, TYR30B, TYR60B, TYR61B, TYR66B
• P-C: ALA11P, ARG14P, ARG85C, ASN114C, ASN19P, ASP108C, ASP18P, GLU107C, GLY109C, GLY10P, GLY110C, GLY113C, GLY16P, HIS15P, LEU17P, LYS13P, LYS37C, MET12P, MET29C, MET2C, SER112C, SER26C, SER84C, THR27C, THR28C, TYR20P, TYR55C
• P-D: ALA112D, ALA63D, ARG110D, ARG21P, ARG80D, ASN114D, ASN19P, ASN27D, ASN28D, ASP109D, ASP18P, ASP37D, GLN84D, GLY16P, GLY22P, GLY26P, HIS29D, LEU17P, LEU25P, SER107D, SER24P, SER56D, TRP108D, TYR20P, TYR23P, TYR38D, TYR57D, VAL58D
• C-D: ALA105C, ALA105D, ALA112D, ALA136C, ALA146D, ALA149D, ALA154D, ALA160D, ALA182C, ALA189D, ALA190C, ALA192C, ALA207D, ALA210C, ALA246D, ALA248D, ALA57C, ARG110D, ARG123D, ARG144C, ARG161D, ARG202D, ARG204D, ARG218D, ARG251D, ARG43D, ARG47C, ARG49C, ARG51D, ARG9D, ASN114C, ASN114D, ASN132C, ASN150D, ASN188C, ASN195C, ASN45C, ASP108C, ASP109D, ASP142C, ASP147C, ASP155C, ASP174C, ASP179C, ASP184C, ASP186D, ASP45D, ASP70D, CYS104C, CYS151C, CYS158D, CYS176C, CYS184D, CYS219D, GLN139C, GLN146C, GLN152D, GLN188D, GLN196C, GLN40C, GLN44C, GLN44D, GLN6C, GLU107C, GLU120D, GLU134C, GLU142D, GLU147D, GLU169D, GLU192D, GLU247D, GLU67D, GLY109C, GLY113C, GLY113D, GLY119C, GLY119D, GLY121C, GLY121D, GLY162D, GLY169C, GLY182D, GLY189C, GLY47D, GLY48C, GLY49D, GLY69D, HIS167D, HIS180D, HIS216D, HIS46C, HIS48D, HIS54D, ILE117C, ILE148D, ILE172C, ILE191C, ILE51C, ILE53D, ILE71D, LEU116C, LEU116D, LEU123C, LEU140C, LEU140D, LEU150C, LEU152C, LEU156D, LEU159D, LEU178C, LEU199D, LEU203D, LEU50C, LEU50D, LEU52D, LEU56C, LYS115C, LYS141C, LYS145D, LYS151D, LYS153D, LYS175C, LYS181C, LYS186C, LYS191D, LYS37C, LYS67C, LYS68D, MET180C, MET183C, MET2C, PHE103C, PHE103D, PHE118C, PHE118D, PHE141D, PHE153C, PHE156C, PHE171C, PHE209D, PHE217D, PHE42C, PHE54C, PRO133C, PRO135C, PRO143C, PRO143D, PRO187D, PRO3C, PRO72D, PRO9C, SER107D, SER112C, SER139D, SER144D, SER145C, SER148C, SER168C, SER181D, SER185C, SER187C, SER193D, SER194C, SER196D, SER198D, SER200D, SER201D, SER206D, SER245D, SER38C, THR101C, THR115D, THR120C, THR122C, THR149C, THR154C, THR155D, THR165C, THR170C, THR173C, THR185D, THR211C, THR46D, THR52C, TRP193C, TRP210D, TRP249D, TYR102C, TYR117D, TYR138C, TYR190D, TYR197D, TYR38D, TYR40D, TYR42D, TYR55C, TYR55D, TYR57D, VAL101D, VAL137C, VAL138D, VAL157D, VAL177C, VAL179D, VAL183D, VAL205D, VAL39C
• E-F: ALA100F, ALA125F, ALA181E, ALA2E, ALA49F, ALA58F, ALA65E, ALA78F, ALA82E, ARG105F, ARG141E, ARG149F, ARG23F, ARG25F, ARG29F, ARG34F, ARG39F, ARG44E, ARG55F, ARG5F, ARG70F, ARG76E, ARG80F, ARG93F, ARG94F, ASN103E, ASN111E, ASN140E, ASN150F, ASN19F, ASN33F, ASN62E, ASN69E, ASN78E, ASN82F, ASN84E, ASN98F, ASP121F, ASP142E, ASP152F, ASP182E, ASP1E, ASP27E, ASP29E, ASP3E, ASP41F, ASP43F, CYS117F, CYS15F, CYS79F, GLN10F, GLN14E, GLN156F, GLN21E, GLN50E, GLN61E, GLU14F, GLU1E, GLU25E, GLU30E, GLU35F, GLU36F, GLU47E, GLU52F, GLU66E, GLU74F, GLU85E, GLU85F, GLU87F, GLU95F, GLY13F, GLY151F, GLY17E, GLY20E, GLY20F, GLY28E, GLY49E, GLY54F, GLY6E, GLY71E, GLY9E, HIS143E, HIS146E, HIS24E, HIS4E, HIS56F, HIS68E, HIS6F, HIS81F, HIS9F, ILE101F, ILE106E, ILE112E, ILE148F, ILE19E, ILE1E, ILE24F, ILE31F, ILE52E, ILE63E, ILE72E, LEU138E, LEU148E, LEU158F, LEU26F, LEU31E, LEU38F, LEU45E, LEU51E, LEU53E, LEU53F, LEU70E, LEU73E, LEU92F, LEU98E, LYS12F, LYS67E, LYS75E, LYS94E, PHE108E, PHE113E, PHE11F, PHE122F, PHE145E, PHE155F, PHE17F, PHE26E, PHE32E, PHE48E, PHE54E, PHE79E, PHE7E, PHE7F, PHE92E, PRO114E, PRO115E, PRO124F, PRO16E, PRO46E, PRO81E, PRO89F, PRO93E, PRO96E, SER102F, SER118F, SER144E, SER15E, SER57F, SER77E, SER91F, SER95E, THR104E, THR10E, THR11E, THR120F, THR135E, THR154F, THR18F, THR21F, THR23E, THR28F, THR51F, THR74E, THR80E, THR83E, THR86F, THR90E, THR90F, TRP153F, TRP168E, TRP43E, TYR123F, TYR133E, TYR13E, TYR150E, TYR16F, TYR22E, TYR30F, TYR32F, TYR37F, TYR60F, TYR61F, TYR66F, TYR83F, TYR8E, VAL116E, VAL116F, VAL119F, VAL12E, VAL139E, VAL157F, VAL27F, VAL50F, VAL5E, VAL88F, VAL8F, VAL97E, VAL99F
• E-Q: ALA11Q, ALA64E, ALA65E, ARG14Q, ARG21Q, ARG76E, ASN19Q, ASN62E, ASN69E, ASP18Q, GLN50E, GLN61E, GLU25E, GLU55E, GLU66E, GLY16Q, GLY22Q, GLY26Q, GLY49E, GLY58E, GLY59E, GLY6E, GLY71E, GLY9E, HIS15Q, HIS24E, HIS68E, ILE52E, ILE63E, ILE72E, LEU17Q, LEU25Q, LEU31E, LEU51E, LEU53E, LEU70E, LEU73E, LYS13Q, LYS67E, LYS75E, MET12Q, PHE26E, PHE32E, PHE48E, PHE54E, PHE7E, PRO56E, SER24Q, THR10E, THR11E, THR23E, THR41E, TRP43E, TYR20Q, TYR22E, TYR23Q, TYR8E, VAL12E
• E-G: ASN114G, ASN62E, ASP108G, GLN57E, GLN61E, GLU107G, GLU55E, GLY109G, GLY110G, GLY113G, GLY58E, GLY59E, LEU53E, LEU60E, LYS115G, LYS37G, PHE54E, PRO56E, SER112G, TYR22E, TYR8E
• E-H: ALA112H, ALA64E, ALA65E, ARG110H, ASN28H, ASN62E, ASN69E, ASP109H, ASP37H, ASP64H, GLN57E, GLN61E, GLN84H, GLU55E, GLU66E, GLU67H, GLY58E, GLY59E, GLY9E, HIS68E, ILE63E, ILE72E, LEU36E, LEU60E, LYS39E, LYS67E, LYS68H, PRO56E, SER56H, SER65H, THR11E, THR66H, TRP108H, TYR22E, TYR38H, TYR40H, TYR55H, TYR57H, VAL58H
• F-Q: ALA73F, ALA78F, ARG14Q, ARG21Q, ARG25F, ARG29F, ARG70F, ARG72F, ARG80F, ASN19Q, ASN82F, ASP18Q, ASP76F, CYS15F, CYS79F, GLN10F, GLN64F, GLU14F, GLU74F, GLU84F, GLU85F, GLU87F, GLY13F, GLY16Q, GLY22Q, HIS15Q, HIS56F, HIS81F, HIS9F, ILE31F, LEU17Q, LEU25Q, LEU26F, LEU38F, LEU68F, LEU75F, LYS12F, LYS13Q, MET12Q, PHE11F, PHE17F, PHE40F, PRO89F, SER24Q, SER57F, SER91F, THR28F, THR71F, THR77F, THR86F, THR90F, TRP153F, TYR16F, TYR20Q, TYR23Q, TYR30F, TYR37F, TYR47F, TYR60F, TYR61F, TYR66F, TYR83F, VAL27F, VAL88F
• F-G: ALA57G, ALA73F, ALA78F, ARG70F, ARG72F, ARG80F, ARG85G, ASN114G, ASN82F, ASN84G, ASP108G, ASP76F, CYS79F, GLN64F, GLN64G, GLU107G, GLU69F, GLU74F, GLU84F, GLU85F, GLY109G, GLY110G, GLY65G, HIS81F, ILE24F, LEU56G, LEU68F, LEU75F, LYS37G, LYS67G, LYS84G, MET29G, PHE40F, PHE83G, SER38G, SER84G, THR21F, THR27G, THR28G, THR66G, THR71F, THR77F, TYR55G, TYR66F, VAL39G
• F-H: ALA112H, ARG110H, ARG70F, ASN114H, ASP109H, GLN64F, GLU69F, GLU74F, GLY113H, LEU68F, LYS63F, PHE11F, THR115H, TRP108H, TYR30F, TYR60F, TYR61F, TYR66F
• Q-G: ALA11Q, ARG14Q, ARG85G, ASN114G, ASN19Q, ASP108G, ASP18Q, GLU107G, GLY109G, GLY10Q, GLY110G, GLY113G, GLY16Q, HIS15Q, LEU17Q, LYS115G, LYS13Q, LYS37G, MET12Q, MET29G, MET2G, SER112G, SER26G, SER84G, THR27G, THR28G, TYR20Q, TYR55G
• Q-H: ALA112H, ARG110H, ARG21Q, ARG80H, ASN114H, ASN19Q, ASN27H, ASN28H, ASP109H, ASP18Q, ASP37H, GLN84H, GLY16Q, GLY22Q, GLY26Q, HIS29H, LEU17Q, LEU25Q, SER107H, SER24Q, SER56H, TRP108H, TYR20Q, TYR23Q, TYR38H, TYR57H, VAL58H
• G-H: ALA105G, ALA105H, ALA112H, ALA136G, ALA146H, ALA149H, ALA154H, ALA160H, ALA182G, ALA189H, ALA190G, ALA192G, ALA207H, ALA210G, ALA246H, ALA248H, ALA57G, ARG110H, ARG123H, ARG144G, ARG161H, ARG202H, ARG204H, ARG218H, ARG251H, ARG47G, ARG49G, ARG51H, ARG9H, ASN114G, ASN114H, ASN132G, ASN150H, ASN188G, ASN195G, ASN45G, ASP108G, ASP109H, ASP142G, ASP147G, ASP155G, ASP174G, ASP179G, ASP184G, ASP186H, ASP45H, ASP70H, CYS104G, CYS151G, CYS158H, CYS176G, CYS184H, CYS201G, CYS219H, GLN139G, GLN146G, GLN152H, GLN188H, GLN196G, GLN40G, GLN44G, GLN44H, GLN6G, GLU107G, GLU120H, GLU134G, GLU142H, GLU147H, GLU169H, GLU192H, GLU247H, GLU67H, GLY109G, GLY113G, GLY113H, GLY119G, GLY119H, GLY121G, GLY121H, GLY162H, GLY169G, GLY182H, GLY189G, GLY47H, GLY48G, GLY49H, GLY69H, HIS167H, HIS180H, HIS216H, HIS46G, HIS48H, HIS54H, ILE117G, ILE148H, ILE172G, ILE191G, ILE51G, ILE53H, ILE71H, LEU116G, LEU116H, LEU123G, LEU140G, LEU140H, LEU150G, LEU152G, LEU156H, LEU159H, LEU178G, LEU199H, LEU203H, LEU50G, LEU50H, LEU52H, LEU56G, LYS115G, LYS141G, LYS145H, LYS151H, LYS153H, LYS175G, LYS181G, LYS186G, LYS191H, LYS37G, LYS67G, LYS68H, MET180G, MET183G, MET2G, PHE103G, PHE103H, PHE118G, PHE118H, PHE141H, PHE153G, PHE156G, PHE171G, PHE209H, PHE217H, PHE42G, PHE54G, PRO133G, PRO135G, PRO143G, PRO143H, PRO187H, PRO3G, PRO72H, PRO9G, SER107H, SER112G, SER139H, SER144H, SER145G, SER148G, SER168G, SER181H, SER185G, SER187G, SER193H, SER194G, SER196H, SER198H, SER200H, SER201H, SER206H, SER245H, SER38G, THR101G, THR115H, THR120G, THR122G, THR149G, THR154G, THR155H, THR165G, THR170G, THR173G, THR185H, THR211G, THR46H, THR52G, TRP193G, TRP210H, TRP249H, TYR102G, TYR117H, TYR138G, TYR190H, TYR197H, TYR38H, TYR40H, TYR42H, TYR55G, TYR55H, TYR57H, VAL101H, VAL137G, VAL138H, VAL157H, VAL177G, VAL179H, VAL183H, VAL205H, VAL39G