Figure 9.

Percentage of the crystallographic waters identified for both R (top row) and S bound to galectin-3C (bottom row) for each simulation type at a range of distance thresholds. For each simulation type, the mean accuracy and associated standard error (over all independent repeats) was assessed by comparing the clusters (with occupancies greater than 30%) with the crystallographic water sites using a range of distances between 0.0 and 2.0 Å. The color code is as follows: blue: C, red: U, orange: R3, and green: R.