Probing the Energy Landscape of Activation Gating of the Bacterial Potassium Channel KcsA
Figure 4
Free energy profile of gate opening.
The blue, green, and yellow shades depict the sampling of the closed, intermediate, and open structures along the first EV. A) Free energy profile of the activation gate opening derived from 3.9 µs umbrella sampling simulations. The X marks indicate the positions of the crystal structures. B) χ1 angle dynamics of all four F114 during activation gating. C) Distance between opposite T112 as a measure of pore opening.