Fig. 5: Role of the S4 helix.
From: Dynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP
a PMF as a function of S4 helix translocation and rotation. Reactive currents are shown as a vector field with opacity indicating the magnitude of the vector. Contours are drawn every 1 kcal/mol. b Average committor as function of S4 helix translocation and rotation. Approximate definitions of the down and up states for the committor calculations are marked with white ellipses. c Distributions (violin plots) of S4 helix translocation and rotation as a function of committor. Each violin is obtained by binning structures with the indicated q+ ± 0.05 (i.e., the first violin contains structures with q+ ∈ [0.15, 0.25]). The median and upper/lower quartiles are denoted with dashed and solid lines, respectively. Approximate values of translocation or rotation in the down and up states marked by gray bars. Source data are provided as a Source Data file.
