Table IV. Correlation coefficients for predicting changes in stability.
Correlation coefficients (R) and root mean square error (RMSE) between experimental and predicted ΔΔG for a set of 1210 protein mutants using the weight-optimized energy functions.
energy function | R | RMSE |
---|---|---|
current Rosetta weights | 0.69 | 1.76 |
current Rosetta, fit refEs only | 0.68 | 1.66 |
current + hpatch-SASA, fit refEs only | 0.68 | 1.71 |
standard | 0.61 | 2.18 |
standard + hpatch-SASA | 0.63 | 2.27 |