Figure 2
Distance distributions for sodium(I) coordinated by the O atom of Ala. The y axis is proportional to the fractional occurrence of the distance in the (sub)data set of interest. The distance statistics are represented as kernel density estimate plots. It is possible that the minor peak at about 2.8 Å may have a relevant contribution from incorrectly modeled water molecules (Nayal & Cera, 1996; Morshed et al., 2015; Gohara & Di Cera, 2016). Histogram representations of the data counts are available online at https://doi.org/10.5281/zenodo.10644488. |