Figure 4. Interactions with the peptide chain of the lipopeptide.

(a) F pockets of Mamu-B*098 (left, blue), HLA-B27 (middle, light orange) and Mamu-B*17 (right, pink) are shown as a semi-transparent groove and side chains (lines) with an emphasis on the key side chains at position 116. Two C-terminal amino acid residues of the ligands anchored in each F pocket are displayed as yellow sticks. (b) A hydrogen bond network was established between Mamu-B*098 and C14nef5. The top (left) and side (right) views of the Mamu-B*098:C14nef5 complex are displayed with hydrogen bonds (orange dashed lines). Water molecules are shown with blue spheres.