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. 2018 Aug 24;8:12732. doi: 10.1038/s41598-018-30885-w

Figure 5.

Figure 5

(A) The pulling pathway of the bound K+ ion from the binding site to the gastric lumen for the free energy calculations. The pathway is shown in blue and the arrow represents the pulling direction. (B) Potential of mean force along the z-axis computed for the three different protonation states as calculated with umbrella sampling. The error bars are obtained from bootstrapping analysis.