Figure 6.

Human programmed death 1 receptor hPD-1 and human PD-1 inhibitory receptor ligand hPD-L1 (PDB ID: 4ZQK). Ligand is represented as a light blue cartoon model with key water interacting residues in yellow stick model; receptor is analogously represented in light pink. Key conserved water clusters identified from MD trajectory snapshots are depicted as red spheres with a radius of 0.9 Å.