2BNQ

structural and kinetic basis for heightened immunogenicity of t cell vaccines

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 22
  • Norm. En. per Res.: -4.7593
• 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	-49.1781	-100.5996	-362.999	-512.7767	123	19	2	12847	7	43	40
A-C	-46.0348	0.0	-276.851	-322.8858	86	9	7	9842	0	0	0
A-D	-11.5676	0.0	-75.6074	-87.175	46	6	0	3011	0	3	7
A-E	-9.2793	-10.4428	-91.5837	-111.3058	59	8	2	4686	0	15	15
C-D	-7.792	0.0	-96.9128	-104.7048	22	2	0	2381	0	0	0
C-E	-8.6976	0.0	-60.8848	-69.5824	23	3	1	2051	0	0	0
D-E	-101.796	-12.9123	137.829	23.1207	214	49	19	23832	6	45	33

Interface residues

• A-B: ALA117A, ALA125A, ALA15B, ALA236A, ALA246A, ALA24A, ARG12B, ARG14A, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS203A, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU232A, GLU46A, GLU50B, GLY120A, GLY237A, GLY239A, GLY26A, GLY29B, HIS114A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS93A, ILE124A, ILE1B, ILE23A, 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, SER11A, SER11B, 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, VAL85B, VAL95A, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA150A, ALA158A, ALA24A, ALA69A, ARG157A, ARG170A, ARG65A, ARG6A, ARG75A, ARG82A, ARG97A, ASP77A, CYS164A, GLN155A, GLN72A, GLN8C, GLU148A, GLU166A, GLU55A, GLU63A, GLY100A, GLY26A, GLY62A, GLY79A, HIS114A, HIS151A, HIS70A, HIS74A, ILE124A, ILE52A, ILE6C, LEU156A, LEU160A, LEU168A, LEU2C, LEU3C, LEU78A, LEU81A, LYS144A, LYS146A, LYS66A, LYS68A, MET45A, MET4C, MET5A, PHE22A, PHE33A, PHE36A, PHE8A, PHE9A, SER1C, SER71A, THR142A, THR143A, THR163A, THR64A, THR73A, THR7C, THR80A, TRP133A, TRP147A, TRP167A, TRP51A, TRP5C, TYR113A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR59A, TYR7A, TYR84A, TYR85A, TYR99A, VAL152A, VAL25A, VAL28A, VAL34A, VAL67A, VAL76A, VAL95A, VAL9C
• A-D: ALA149A, ALA150A, ALA153A, ALA158A, ALA69A, ARG157A, ARG65A, ASN32D, ASP61A, GLN155A, GLN51D, GLN54D, GLN57D, GLU148A, GLU154A, GLU58A, GLU63A, GLY62A, GLY97D, GLY98D, HIS151A, HIS70A, ILE101D, ILE30D, ILE50D, LEU156A, LEU49D, LEU66D, LYS66A, LYS68A, LYS68D, SER52D, SER53D, SER96D, SER99D, THR163A, THR64A, THR73A, THR95D, TRP167A, TYR100D, TYR159A, TYR31D, TYR59A, VAL152A, VAL67A
• A-E: ALA149A, ALA150A, ALA51E, ALA69A, ARG44A, ARG65A, ARG67E, ARG75A, ARG97A, ASN27E, ASN97E, ASP55E, ASP61A, ASP77A, GLN155A, GLN24E, GLN43A, GLN56E, GLN72A, GLU19A, GLU29E, GLU71E, GLY50E, GLY52E, GLY62A, GLY79A, GLY96E, GLY99E, HIS151A, HIS28E, HIS70A, HIS74A, ILE53E, LYS146A, LYS66A, LYS68A, MET26E, MET31E, PHE36A, PRO20A, SER48E, SER68E, SER71A, THR54E, THR64A, THR69E, THR70E, THR73A, THR80A, THR98E, TRP147A, TYR30E, TYR47E, TYR94E, VAL152A, VAL49E, VAL67A, VAL76A, VAL95E
• C-D: ARG93D, ASN32D, GLN51D, GLY97D, GLY98D, ILE101D, ILE30D, ILE6C, LEU2C, LEU3C, MET4C, PRO102D, PRO94D, SER1C, SER96D, SER99D, THR7C, THR95D, TRP5C, TYR100D, TYR31D, VAL92D
• C-E: ASN27E, ASN97E, GLN8C, GLU100E, GLU29E, GLY96E, GLY99E, HIS28E, ILE6C, LEU101E, LEU3C, MET26E, MET4C, SER93E, THR70E, THR7C, THR98E, TRP5C, TYR30E, TYR47E, TYR94E, VAL49E, VAL95E
• D-E: ALA122D, ALA124E, ALA131E, ALA139E, ALA145E, ALA176D, ALA178D, ALA180E, ALA187E, ALA196E, ALA235E, ALA237E, ALA91D, ALA91E, ARG106D, ARG108E, ARG127D, ARG167D, ARG185E, ARG191E, ARG193E, ARG240E, ARG43E, ARG93D, ASN118D, ASN174D, ASN181D, ASN32D, ASN97E, ASP120D, ASP128D, ASP133D, ASP141D, ASP151E, ASP153D, ASP155D, ASP160D, ASP165D, ASP170D, ASP171E, ASP199D, ASP37E, ASP39D, ASP55E, CYS137D, CYS143E, CYS162D, CYS169E, CYS187D, CYS90E, GLN125D, GLN137E, GLN150D, GLN173E, GLN178E, GLN34D, GLN36E, GLN38D, GLN51D, GLN54D, GLN56E, GLN57D, GLU100E, GLU105E, GLU122E, GLU127E, GLU130E, GLU132E, GLU177E, GLU236E, GLU29E, GLU58E, GLY104E, GLY105D, GLY106E, GLY147E, GLY167E, GLY39E, GLY41D, GLY41E, GLY43D, GLY57E, GLY96E, GLY98D, GLY99E, HIS135E, HIS165E, HIS28E, HIS46E, ILE101D, ILE116D, ILE133E, ILE158D, ILE50D, LEU101E, LEU126D, LEU138D, LEU141E, LEU144E, LEU164D, LEU175E, LEU188E, LEU192E, LEU33D, LEU42E, LEU44D, LEU44E, LEU47D, LEU48D, LEU49D, LEU89D, LYS130D, LYS134D, LYS138E, LYS161D, LYS172D, LYS176E, LYS42D, LYS8E, MET166D, MET169D, MET31E, MET40E, PHE102E, PHE103E, PHE104D, PHE126E, PHE139D, PHE142D, PHE148E, PHE171D, PHE191D, PHE198E, PHE201D, PHE202D, PHE206E, PHE36D, PHE89E, PHE9E, PRO102D, PRO119D, PRO121D, PRO128E, PRO172E, PRO174E, PRO179E, PRO203D, PRO38E, PRO40D, SER129D, SER129E, SER131D, SER132D, SER134E, SER135D, SER151D, SER154D, SER166E, SER168D, SER173D, SER175D, SER180D, SER184E, SER189E, SER190E, SER195E, SER204D, SER234E, SER32E, SER46D, SER48E, SER52D, SER92E, SER93E, SER99D, THR103D, THR136E, THR140D, THR140E, THR146E, THR159D, THR170E, THR200D, THR45D, THR87D, THR98E, TRP179D, TRP199E, TRP238E, TRP35D, TYR100D, TYR124D, TYR157D, TYR186E, TYR30E, TYR31D, TYR34E, TYR47E, TYR94E, VAL123D, VAL123E, VAL125E, VAL136D, VAL142E, VAL148D, VAL156D, VAL163D, VAL168E, VAL177D, VAL194E, VAL49E, VAL87E, VAL92D, VAL95E