Fig. 4.
Analysis of S4/lipid and S4/water contacts in S4, averaged over all bilayer-inserted S4 and VS simulations. (A) Contacts (interparticle distance <6 Å) between the basic side chains of the isolated S4 helix and the water (W, red), PO4 (P, black), and glycerol (G, blue) particles. For each side chain, the mean (±SD) number of contacts over the second half of the simulation is shown. (B) Contacts between the basic side chains of the S4 helix within the KvAP VS domain and: water (W, red), PO4 (P, black), glycerol (G, blue), and anionic side chain (A, green) particles. For each side chain, the mean (±SD) number of contacts over the second half of the simulation is shown. (C) Total contacts (with all particles) of the basic side chains of S4, and of S4 within the KvAP domain (black).