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. 2015 Jun 11;5:11289. doi: 10.1038/srep11289

Figure 5. Bending of inner M2 helix opens the bundle-crossing gate.

Figure 5

(a) The kink of M2 helix at the conserved glycine hinge (Gly 168) from the closed state (blue) to the conformation (red). (b) Evolution of the bending angle of M2 vs. the simulation time. Inside panel shows the conformation of the inner M2 helix at 0 ns (blue), 3 ns (yellow), and 6 ns (red) during the Targeted MD simulation. (c) Partial structure in the final Targeted MD conformation (red) compared to the initial conformation (blue). (d) and (e) are the time courses of the H-bond forming between outer M1 and inner M2 helix, and between slide helix and M1 helix, respectively. (f) The time courses of the distance of the center of slide helix upward movement to the membrane.