In some cases, alongside the distributions of either bonded terms or SASA for analysis, an overlap value in the graphs is reported to quantify the agreement between the distributions. An overlap value between two distributions is computed by summing up the minimum y-value between both histograms in each bin for all bins. The reference overlap corresponds to the fraction of the reference distribution (e.g GLYCAM-06j, or Martini 3 original) that was sampled by the new Martini 3 simulation. Values of 'full' overlap without the need to define a reference system are reported alongside in Supplementary Tables (i.e: 0 = no overlap between the 2 distributions, 1 = perfect overlap between 2 distributions).