1N59

crystal structure of the murine class i major histocompatibility complex of h-2kb, b2-microglobulin, and a 9-residue immunodominant peptide epitope gp33 derived from lcmv

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-Q
  • Int. Res.: 85
  • Norm. En. per Res.: -3.3994
• Hub Node: A(3)

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	-35.6776	-17.0709	-368.347	-421.0955	132	32	3	13728	1	39	38
A-P	-54.131	0.0	-237.593	-291.724	86	27	4	9060	0	0	0
A-C	-9.7386	-15.1156	-160.294	-185.1481	80	4	0	6369	6	26	28
C-D	-57.7491	-17.4981	-356.224	-431.4712	133	37	3	13773	1	41	37
C-Q	-48.3927	0.0	-240.553	-288.9457	85	23	3	9019	0	0	0

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA205A, ALA236A, ALA66B, ARG111A, ARG12B, ARG14A, ARG181A, ARG202A, ARG21A, ARG234A, ARG35A, ARG48A, ARG6A, ARG97B, ASN21B, ASN24B, ASP119A, ASP122A, ASP183A, ASP238A, ASP30A, ASP53B, ASP59B, ASP96B, ASP98B, CYS121A, CYS203A, CYS25B, GLN114A, GLN115A, GLN242A, GLN29B, GLN2B, GLN6B, GLN8B, GLN96A, GLU232A, GLU24A, GLU32A, GLU50B, GLU69B, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS34B, HIS67B, HIS93A, ILE124A, ILE1B, ILE22B, ILE35B, ILE64B, ILE7B, ILE95A, ILE98A, LEU17A, LEU206A, LEU230A, LEU23B, LEU65B, LYS186A, LYS243A, LYS3B, LYS58B, MET23A, MET51B, MET54B, MET99B, PHE208A, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO15B, PRO185A, PRO235A, PRO32B, PRO33B, SER11B, SER13A, SER184A, SER246A, SER52B, SER55B, SER57B, SER61B, SER92A, SER99A, THR10A, THR190A, THR200A, THR233A, THR240A, THR28B, THR31A, THR68B, THR94A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR116A, TYR118A, TYR123A, TYR209A, TYR22A, TYR26B, TYR27A, TYR63B, TYR7A, VAL12A, VAL189A, VAL231A, VAL25A, VAL27B, VAL97A, VAL9A, VAL9B
• A-P: ALA117A, ALA11A, ALA139A, ALA140A, ALA150A, ALA153A, ALA158A, ALA2P, ALA67A, ALA7P, ARG155A, ARG157A, ARG170A, ARG62A, ARG75A, ASN5P, ASN70A, ASP77A, CYS101A, CYS164A, GLN114A, GLN115A, GLN65A, GLN72A, GLN96A, GLU152A, GLU154A, GLU166A, GLU24A, GLU63A, GLU71A, GLY100A, GLY151A, GLY26A, GLY69A, ILE124A, ILE142A, ILE95A, ILE98A, LEU126A, LEU156A, LEU160A, LEU168A, LEU5A, LEU78A, LEU81A, LYS144A, LYS146A, LYS66A, LYS68A, MET52A, MET9P, PHE33A, PHE36A, PHE6P, PHE74A, PHE8A, SER73A, SER99A, THR143A, THR163A, THR64A, THR80A, THR8P, THR94A, TRP133A, TRP147A, TRP167A, TYR113A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR22A, TYR45A, TYR4P, TYR59A, TYR7A, TYR84A, VAL25A, VAL34A, VAL3P, VAL76A, VAL97A, VAL9A
• A-C: ARG108A, ARG108C, ARG169A, ARG169C, ARG170A, ARG170C, ASN174A, ASN174C, ASN176A, ASN176C, ASP106A, ASP106C, ASP212A, ASP212C, GLN218A, GLN218C, GLN264A, GLN264C, GLU166A, GLU166C, GLU223A, GLU223C, GLU268A, GLU268C, GLY104A, GLY104C, GLY107A, GLY107C, GLY1A, GLY1C, GLY265A, GLY265C, HIS260A, HIS260C, HIS263A, HIS263C, HIS3A, HIS3C, ILE213A, ILE213C, ILE225A, ILE225C, LEU109A, LEU109C, LEU172A, LEU172C, LEU180A, LEU180C, LEU215A, LEU215C, LEU266A, LEU266C, LEU270A, LEU270C, LYS173A, LYS173C, PRO210A, PRO210C, PRO267A, PRO267C, PRO269A, PRO269C, PRO2A, PRO2C, SER105A, SER105C, THR182A, THR182C, THR214A, THR214C, THR216A, THR216C, THR271A, THR271C, TYR262A, TYR262C, VAL165A, VAL165C, VAL261A, VAL261C
• C-D: ALA117C, ALA11C, ALA125C, ALA187C, ALA205C, ALA236C, ALA66D, ARG111C, ARG12D, ARG14C, ARG181C, ARG202C, ARG21C, ARG234C, ARG35C, ARG48C, ARG6C, ARG97D, ASN21D, ASN24D, ASP119C, ASP122C, ASP183C, ASP238C, ASP30C, ASP53D, ASP59D, ASP96D, ASP98D, CYS121C, CYS203C, CYS25D, GLN114C, GLN115C, GLN242C, GLN29D, GLN2D, GLN6D, GLN8D, GLN96C, GLU232C, GLU24C, GLU32C, GLU50D, GLU69D, GLY120C, GLY207C, GLY237C, GLY239C, GLY26C, HIS13D, HIS188C, HIS191C, HIS192C, HIS31D, HIS34D, HIS67D, HIS93C, ILE124C, ILE1D, ILE22D, ILE35D, ILE64D, ILE7D, ILE95C, ILE98C, LEU17C, LEU206C, LEU230C, LEU23D, LEU65D, LYS186C, LYS243C, LYS3D, LYS58D, MET23C, MET51D, MET54D, MET99D, PHE208C, PHE241C, PHE30D, PHE56D, PHE62D, PHE8C, PRO14D, PRO15D, PRO185C, PRO235C, PRO32D, PRO33D, SER11D, SER13C, SER184C, SER246C, SER52D, SER55D, SER57D, SER61D, SER92C, SER99C, THR10C, THR190C, THR200C, THR233C, THR240C, THR28D, THR31C, THR68D, THR94C, TRP204C, TRP244C, TRP60D, TRP95D, TYR10D, TYR116C, TYR118C, TYR123C, TYR209C, TYR22C, TYR26D, TYR27C, TYR63D, TYR7C, VAL12C, VAL189C, VAL231C, VAL25C, VAL27D, VAL93D, VAL97C, VAL9C, VAL9D
• C-Q: ALA117C, ALA11C, ALA139C, ALA140C, ALA150C, ALA153C, ALA158C, ALA2Q, ALA67C, ALA7Q, ARG155C, ARG157C, ARG170C, ARG35C, ARG62C, ASN5Q, ASN70C, ASP77C, CYS164C, GLN114C, GLN115C, GLN65C, GLN72C, GLN96C, GLU152C, GLU154C, GLU166C, GLU24C, GLU63C, GLU71C, GLY100C, GLY151C, GLY162C, GLY26C, GLY69C, ILE124C, ILE142C, ILE95C, ILE98C, LEU126C, LEU156C, LEU160C, LEU168C, LEU5C, LEU78C, LEU81C, LYS144C, LYS146C, LYS66C, MET52C, MET9Q, PHE33C, PHE36C, PHE6Q, PHE74C, PHE8C, SER73C, SER99C, THR143C, THR163C, THR64C, THR80C, THR8Q, TRP133C, TRP147C, TRP167C, TYR113C, TYR116C, TYR118C, TYR123C, TYR159C, TYR171C, TYR22C, TYR45C, TYR4Q, TYR59C, TYR7C, TYR84C, VAL165C, VAL25C, VAL34C, VAL3Q, VAL76C, VAL97C, VAL9C