Fig. 4.

For the simulated aqueous solution specified in Fig. 2, contributions from coordination-number probabilities of Eq. (11) for n = 8, a coordination number of interest for the KcsA channel. Note that these contributions have similar sizes, comparable to the sizes of the transfer free energies discussed below (Fig. 5), but differing signs. The upward-pointing arrows with solid points indicate −kT ln p(n = 8) for each case. The downward-point arrows indicate $kTln{p}_{\text{X}}^{(0)}(n=8)$ for each case. Comparison utilizing just p(n = 8)'s would lead to a free energy balance here of 5 kcal/mol instead of 2 kcal/mol [7].