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. 2018 Nov 6;13(11):e0206654. doi: 10.1371/journal.pone.0206654

Fig 4. Prediction of FVIII epitopes.

Fig 4

A) Consensus based determination of the epitope and its register in the MHCII cavity. CDR3 sequences of the five TCRs and their ranking with respect to different peptide registers in the epitope sequence. Only ranks in the top 100 scores are shown. Peptide FVIII-2194-2205 ranked in the top 100 scoring peptides predicted to bind both HLA-DR1 and each of the 5 indicated TCR-beta variable CDR3 sequences. The predicted consensus core of the epitope for the five TCRs is indicated by an arrow. B) Structural models for the five pMHCII-TCR complexes with the SYFTNMFATWSP 12-mer peptide. The identical MHCII (HLA-DR1) structures within each modeled complex were superimposed, allowing visualization of the different peptide and TCR structural variations. C) The TCR models contact the pMHCII by placing their CDR3 loops in the cavity between FVIII residues Phe2200 and Trp2203. D) The six highest scoring peptides with respect to all five TCRs all have a Trp residue at position 10.