Figure S6.
IH residues D69 and D76 stabilize the closed pore conformation in the deactivated state. Fraction of WT simulations in which pore closure was observed, performed in the presence and absence of PIP2 (Sims. 4–6, Sim. 11, and Sims. 13–19, respectively), and in simulations of the D69A/D76A IH double mutant performed without PIP2 (Sims. 20–25). The instance of pore closure was defined as the simulation time when the number of water molecules in the pore cavity decreased to 35 or less (the average hydration of a stably open pore conformation was 56 ± 8).
