Figure 8. Simulating membrane voltage with an open state model of TRPY1 reveals the structural elements important for ion conduction. See also Table S1, Supplementary Movies 1, 2.

a, The open state (opaque) overlaid with the closed state (transparent), before force is applied. b, The average radius profile along the pore is shown for the 150 ns voltage simulation between 0-25 ns (light pink), 25-100 ns (medium pink), and 100-146 ns (dark pink). c, Residues that participate in shuttling the K⁺ ions through the pore are shown for chains A, B, and C (chain D omitted for clarity). K+ ions are shown in gold spheres. d, The minimum radius (pink) is overlaid with the K+ permeation events (black) during the voltage simulation. Large decreases in the minimum radius correlate with decreases in conductance at ~ 25 ns and ~ 85 ns. The S6 helices are shown before (e) and after (f) the simulation. g, The distance between the Cα carbons of residue 376 of the indicated chains are shown overlaid with the K⁺ permeation events. The measured distances from (g) are shown before (h) and after (i) the simulation. j, The distances between the center of mass of residues 458-462, corresponding to the base of the S6 helix, is overlaid with K+ permeation events. The measured distances from (j) are shown before (k) and after (l) the simulation.