Solvent-Accessible Surface Area for a Number of Key Hydrophobic Residues in Equilibrium and TMD Simulations

<p>The Lee-Richards–type SASA [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.0030023#pcbi-0030023-b077" target="_blank">77</a>] for Phe458, Phe482, Phe487, Phe503, Phe506, and Phe652 in the equilibrium simulations 1FMW (A) and 1VOM (B), and in the three TMD simulations (C) where different colors represent three different TMD trajectories. A water probe with radius 1.4 Å and the Nina-Roux set of atomic radii [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.0030023#pcbi-0030023-b074" target="_blank">74</a>,<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.0030023#pcbi-0030023-b075" target="_blank">75</a>] are used. The GBSW model is used in both equilibrium and TMD simulations.