TABLE 3.
Pearson correlation coefficient (ρ) between the experimental ΔΔGs and the seven considered features in the S4428 dataset. On the column “Total”, we have the correlation in the whole unbalanced dataset, while on the column “Total Balanced” we reported the average Pearson’s correlation coefficient and its standard deviation calculated in 100 random subsets with the same number of variants for each class (Stabilizing-Neutral-Destabilizing). The last three columns report the correlation on each class separately, considering all the possible variants.
| Pearson’s correlation coefficient | |||||
|---|---|---|---|---|---|
| Total | Total balanced | Destabilizing | Neutral | Stabilizing | |
| Accessibility | 0.22 | 0.08 ± 0.02 | 0.28 | 0.02 | −0.21 |
| Bastolla-Vendruscolo potential | 0.45 | 0.45 ± 0.03 | 0.36 | 0.13 | 0.18 |
| Blosum evolutionary score | 0.12 | 0.02 ± 0.02 | 0.26 | −0.02 | −0.18 |
| Difference in hydrophobicity | −0.21 | −0.18 ± 0.03 | −0.19 | −0.04 | −0.04 |
| Volume difference | −0.32 | −0.34 ± 0.03 | −0.22 | −0.12 | −0.15 |
| Logarithm of the conservation ratio | −0.37 | −0.37 ± 0.02 | −0.27 | −0.11 | −0.21 |
| Skolnick potential | 0.36 | 0.35 ± 0.03 | 0.29 | 0.07 | 0.13 |