Figure S3.
Ion density convergence analysis. (A) The convergence of Ca2+ density along the pore of TRPV6. Ca2+ around 3 Å of the pore axis were selected for analysis. The blue, orange, green, and red lines indicate the distribution estimated from 0–200, 100–300, 200–400, and 300–500 ns of three replicas, respectively. The intracellular gate and SF regions are indicated by orange and green shades, respectively. (B) Similar to A but for TRPV1. As can be seen, the ion distribution did not show a significant and systematic difference in these 200-ns time domains, indicating a quick convergence of ion distribution along the pore.