Figure 3.
The 5‐HT1A receptor at the end of the MD simulations: Internal water molecules and the side‐chain interaction network. A) Receptor with bound antagonist (cyan). Two layers of hydrophobic amino acids with thicknesses of 5 Å and 8 Å were observed. Red dots: water molecules. B) The 5‐HT1A receptor with bound agonist (yellow). C) The residue interaction network in the antagonist‐bound receptor. The large circle indicates multiple residue interactions. (D) The residue interaction network in the agonist‐bound receptor. Small circles and scattered dots indicate fewer residue interactions. In (C) and (D), residues in helices and in loops are shown as red and blue dots, respectively, and line connections indicate contacts between residues (for details, see Supporting Information).