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. 2012 Mar 22;7(3):e32804. doi: 10.1371/journal.pone.0032804

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.