Table 3.
The cross-validation performances of various algorithms using the alternative secondary structure assignment scheme.
SP175 | SP175(nr) | ||||||||||
Method | Parameter | α-helix | βD | Core β-sheet | PP-II helix | other | α-helix | βD | Core β-sheet | PP-II helix | other |
SIMPLS | r | 0.968 | 0.895 | 0.875 | 0.687 | 0.842 | 0.968 | 0.883 | 0.861 | 0.678 | 0.839 |
δ | 0.054 | 0.022 | 0.034 | 0.036 | 0.052 | 0.055 | 0.023 | 0.036 | 0.036 | 0.052 | |
PCR | r | 0.966 | 0.894 | 0.876 | 0.684 | 0.841 | 0.965 | 0.881 | 0.862 | 0.677 | 0.837 |
δ | 0.056 | 0.022 | 0.034 | 0.036 | 0.052 | 0.057 | 0.023 | 0.035 | 0.036 | 0.053 | |
PLS | r | 0.971 | 0.889 | 0.863 | 0.641 | 0.839 | 0.970 | 0.881 | 0.854 | 0.628 | 0.833 |
δ | 0.052 | 0.023 | 0.035 | 0.038 | 0.052 | 0.053 | 0.024 | 0.036 | 0.039 | 0.053 | |
PLS-opt | r | 0.971 | 0.868 | 0.867 | 0.702 | 0.835 | 0.969 | 0.856 | 0.846 | 0.696 | 0.830 |
δ | 0.053 | 0.025 | 0.035 | 0.035 | 0.053 | 0.054 | 0.026 | 0.037 | 0.035 | 0.054 | |
SELMAT3 | r | 0.957 | 0.911 | 0.811 | 0.640 | 0.827 | 0.954 | 0.888 | 0.751 | 0.530 | 0.772 |
δ | 0.063 | 0.021 | 0.041 | 0.039 | 0.054 | 0.065 | 0.023 | 0.047 | 0.043 | 0.062 | |
SELMAT1_norm | r | 0.958 | 0.923 | 0.815 | 0.669 | 0.796 | 0.955 | 0.903 | 0.774 | 0.668 | 0.771 |
δ | 0.062 | 0.019 | 0.040 | 0.037 | 0.058 | 0.065 | 0.021 | 0.045 | 0.037 | 0.062 |
The (nr) tag indicates that the cross-validation was carried out under the more stringent conditions where no proteins in the training set with the same CATH homologous superfamily as that of the test protein were included. The best results for each secondary structure type for the standard and non-redundant datasets are shown in bold.