Table 1.
Pearson correlation coefficient (R), the y-intercept and the slope of linear fit between experimental and predicted binding free energy changes. The number of cases is provided in parentheses. The results are shown for different types of mutations and summarized at the bottom for all mutations. The results of 5-fold cross validation test are shown as well.
| Type of Mutaton and Mutation Site Location | Pearson Correlation Coefficient (R) | y-Intercept | Slope |
|---|---|---|---|
| Large-to-Small (173) | 0.489 | 0.328 | 0.692 |
| ALA-scanning (577) | 0.488 | 0.268 | 0.695 |
| COR, SUP (807) | 0.461 | 0.351 | 0.813 |
| RIM, SUR, INT (518) | 0.478 | −0.024 | 1.023 |
| ALL (1326) | 0.624 (0.716 ±2SD, 0.603 CV) | 1 | −2.31 × 10−5 |
±2SD: within two standard deviations; CV: 5-fold cross validation test. ALA: Alanine residue; COR: core; SUP: support; RIM: rim; SUR: surface; and INT: interior type of mutation site.