Fig. 6.

Distribution of water in groove between M1, M2, M4, and M6 in equilibrated models. (A and B) Proteins are visualized as in Fig. 5 with selected hydrophobic side-chains shown in licorice representation with carbons in orange for hydrophobic residues and in yellow for N359, nitrogen in blue, and oxygen in red. Water molecules present throughout a 20-ns MD simulation are red transparent spheres in the E₂P model (A) and cyan in the E₂ model (B). The two models were aligned with the M7–M10 helix backbones as reference. (C) Kernel density function of water along the z axis. The same position and scale is used across all three panels.