Figure 4.
Free energy and kinetics of a single cAMP permeation through Cx26 hemichannel from milestoning simulation (V = 0 mV). PMF in red, inward MFPTs in blue, and outward MFPTs in orange. The CI95 confidence intervals are represented by shaded colors (see Materials and methods). Binding constants and dissociation rates derived from PMF and MFPT profiles are indicated. The graphic at the top shows the backbone of one Cx26 subunit with z positions aligned with the plot below (basic residues in blue, acidic in red, polar in green, and nonpolar in white). To see this figure in color, go online.