DDGun: an untrained method for the prediction of protein stability changes upon single and multiple point variations

Table 4 Performances on the 914 multiple site variation from Protherm

Method	Performance			Anti-symmetry
Method	Direct and Inverse Pearson r, RMSE	Direct variants Pearson r, RMSE	Inverse variants Pearson r, RMSE	r_dir-inv	<δ > (kcal/mol)
DDGun	0.44, 2.23	0.37, 2.23	0.37, 2.23	−1.00	0.00
DDGun3D	0.45, 2.27	0.39, 2.24	0.38, 2.25	−0.99	−0.007
Maestro	0.30, 2.59	0.55, 1.96	0.08, 3.10	−0.20	−0.92
FoldX	0.44, 3.10	0.41, 2.95	0.33, 3.24	−0.71	−0.21

The Pearson correlation coefficient (r), the root mean square error (RMSE), the correlation coefficient between observed and predicted ∆∆G values (r_dir-inv), and the bias (<δ>) are defined in the Method section (Eqs. 9–12). RMSE and < δ > are expressed in kcal/mol

ISSN: 1471-2105