Fig. 5: Interactions of SARS-CoV-2-specific TCRs with the LLL peptide.

a Interactions between TCR LLL6E and the LLL peptide. The side chains of contacting residues are shown in stick representation with carbon atoms in blue (TCR α chain), orange (TCR β chain), or cyan (LLL), nitrogen atoms in blue, oxygen atoms in red, and water molecules as red spheres. b Schematic representation of LLL6E–LLL interactions. Hydrogen bonds are red dotted lines, water-mediated hydrogen bonds are yellow dashed lines, and van der Waals contacts are black dotted lines. For clarity, not all van der Waals contacts are shown. c Pie chart showing percentage distribution of TCR LLL6E contacts to LLL peptide according to CDR in the LLL6E–LLL–HLA-A2 complex. d Close-up of water bridges linking LLL6E to P6 Leu and P8 Gln of the LLL peptide. e Close-up of interactions of LLL6E with P4 Asp and P5 Arg of the LLL peptide. f Interactions between TCR LLL8 and the LLL peptide. g Schematic representation of LLL8–LLL interactions. h Pie chart showing percentage distribution of TCR LLL8 contacts to LLL peptide according to CDR in the LLL8–LLL–HLA-A2 complex.