Table 1.
Performance of Various MIEC-SVM Models for the SH3 Class-II Binding Peptidesa
model | MIECsb | SEtrain (%) | SPtrain (%) | SEtest (%) | SPtest (%) | Q+ (%) | Q+ (%) | C |
---|---|---|---|---|---|---|---|---|
SH3-peptide MIECs | ||||||||
1 | ΔEvdw, ΔEele | 90.2 | 87.0 | 84.9 | 86.7 | 24.2 | 99.1 | 0.409 |
2 | ΔEpolarc, ΔEnonpolarc | 86.4 | 85.0 | 82.7 | 84.7 | 21.3 | 99.0 | 0.370 |
3 | ΔEvdw, ΔEele, ΔGGB | 90.2 | 87.3 | 85.5 | 86.9 | 24.6 | 99.2 | 0.415 |
4 | ΔEvdw, ΔEele, ΔGGB, ΔGsa | 90.5 | 87.7 | 86.2 | 87.3 | 25.3 | 99.2 | 0.425 |
SH3-peptide MIECs and peptide adjacent residue MIECs | ||||||||
5 | ΔEvdw, ΔEele | 90.7 | 90.2 | 85.0 | 89.9 | 29.7 | 99.2 | 0.465 |
6 | ΔEpolar, ΔEnonpolar | 90.3 | 90.3 | 85.1 | 90.0 | 29.9 | 99.2 | 0.467 |
7 | ΔEvdw, ΔEele, ΔGGB | 90.4 | 90.5 | 84.4 | 90.2 | 30.1 | 99.1 | 0.467 |
8 | ΔEvdw, ΔEele, ΔGGB, ΔGsa | 92.8 | 91.0 | 87.3 | 90.7 | 32.0 | 99.3 | 0.494 |
SH3-peptide MIECs, peptide adjacent residue MIECs and peptide residue internal energies | ||||||||
9 | ΔEvdw, ΔEele | 93.6 | 90.9 | 88.6 | 90.6 | 32.0 | 99.4 | 0.499 |
10 | ΔEpolar, ΔEnonpolar | 93.1 | 91.8 | 87.9 | 91.4 | 33.9 | 99.3 | 0.514 |
11 | ΔEvdw, ΔEele, ΔGGB | 95.2 | 91.6 | 90.2 | 91.2 | 34.0 | 99.5 | 0.523 |
12 | ΔEvdw, ΔEele, ΔGGB, ΔGsa | 95.6 | 92.4 | 90.1 | 92.1 | 36.3 | 99.5 | 0.542 |
RBF kernel was used in SVM.
ΔEvdw, ΔEele, ΔGGB, ΔGSA are van der Waals, electrostatic, polar contribution to desolvation, and nonpolar contribution to desolvation, respectively.
ΔGpolar = ΔEele + ΔGGB, ΔGnonpolar = ΔEvdw + ΔGSA