Reproduction of pMHC crystal structures.

Four different pMHC crystal structures available at PDB were reproduced. A docking approach based in the allele-specific patterns was performed (see methods). Information about the MHC alleles, the PDB files and the results are presented in this table. a Binding Energy of the first docking. b Binding Energy of the second docking. c Root Mean Square Deviation for all epitope atoms. Calculated after fit the epitopes by C alpha. d Root Mean Square Deviation for all epitope atoms. Calculated after fit the MHCs by C alpha.