Figure 9

View from the extracellular side of the apo channel showing representative interaction networks around R211 (A) before and (B) after simulating a null transformation of R211 to Ser and back to Arg. Oxygen atoms of waters within 2 Å of the R211, D112, and D185 are colored as light blue spheres. The interaction differences between (A) and (B) reveal potential sampling barriers in what ought to be equivalent systems. Figures rendered using VMD⁵².