Figure 3.

(A) Schematic representation of the octapeptide analogues 1–6 in the AT2R binding site. The hydrophobic pocket surrounding the C-terminus is depicted as a surface (yellow for Ile⁸, green for Phe⁸), the receptor residues in contact with the common sidechains of the peptides (see panel B) are explicitly represented and hydrogen bonds with high frequency (see panel C). The heat-maps represent atom contacts (B) and hydrogen bonds (C) occurring more than 30% of the simulation time between at least one peptide and the AT2R.