Detailed binding model of TCR-peptide interface of template (i.e. NY-ESO-1). The amino acid compositions (profiles) of the homologous peptide antigens derived from the (A) iMatrix and (B) one-matrix. (C) Detailed binding model of TCR-peptide interface of NY-ESO-1 (157-165 SLLMWITQC) by using the template (PDB entry 2bnq). Specific point mutations (i.e. (D) W5Y and (E) W5F) on the position 5. The W5Y mutation in peptide and it reserves the H-bond and stacking interaction. However, the W5F mutation abolishes the hydrogen binding to TCR.