Fig. 2.

Schematic representations of Sims1–4. Coordinate snapshots from the end of Sim1 (a), Sim2 (b), Sim3 (c), and Sim4 (d) are shown as cutaway views with heavy atoms of lipid glycerol, phosphate, and choline groups depicted as van der Waals spheres scaled down by 40 %, and solvent water oxygen atoms depicted as transparent van der Waals spheres (also scaled down by 40 %). Water oxygen atoms within 6 of any Ser/Thr atom are shown as large spheres (van der Waals spheres enlarged by 20 %). The Ser/Thr side chains are shown as bonds. VMD (Humphrey et al. 1996) was used to prepare molecular graphics images