Figure 1.

Distributions of the values of the mapping entropy Σ [in kJ mol^–1 K^–1] in eq 17 for random mappings (light-blue histograms) and optimized solutions (green histograms). Dark-blue dashed lines show the best fit with normal distributions over the random cases. Each column corresponds to an analyzed protein and each row to a given number N of retained atoms. In the first and last rows, corresponding to numbers of CG sites equal to the numbers of C_α atoms and backbone atoms (N_α and N_bkb, respectively), the values of the mapping entropy associated with the physically intuitive choice of the CG sites (see the text) are indicated by vertical lines (red for N = N_α, purple for N = N_bkb). It should be noted that the σ ranges have the same width in all of the plots.