Figure 2.

The logarithm of the distribution of binding energies, Px(ε), of K+ (blue) and Na+ (red) with the entire protein. The ions are in the S2 site. (Inset) Binding energy distribution considering only interactions with the eight carbonyls of the S2 site. (The eight-carbonyl site is extracted from simulations of the entire system.) Note that the local component more acutely highlights the larger range of energies sampled by Na+. The dashed blue curve is the K+ binding energy distribution translated along the energy axis to match the mean binding energy of the Na+ distribution.

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