Table 1. A comparison of FoldX energies with experimental values.
Correlation coefficient | |||||||||
INDEX++ | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 |
SPOT * | 0.13 | 0.24 | 0.14 | −0.09 | 0.25 | 0.14 | 0.07 | 0.34 | 0.16 |
MS Model + | 0.57 | 0.31 | 0.50 | 0.60 | 0.16 | 0.53 | 0.47 | 0.52 | 0.62 |
The Pearson's correlation coefficients between the FoldX energies and the experimental data are shown.
INDEX denotes a starting position in the 14-residue peptides to select representative fragment sequences for energy evaluation.
SPOT denotes pseudo-binding energies.
MS Model denotes the binding free energies derived from the MS model (MS-model energies).
We used 2010 SPOT synthesis data for amphiphysin from reference [12]. We took six consecutive residues in peptide sequences to evaluate the FoldX and MS-model energies.