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. Author manuscript; available in PMC: 2013 May 4.
Published in final edited form as: J Proteome Res. 2012 Apr 9;11(5):2982–2995. doi: 10.1021/pr3000688

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
a

RBF kernel was used in SVM.

b

ΔEvdw, ΔEele, ΔGGB, ΔGSA are van der Waals, electrostatic, polar contribution to desolvation, and nonpolar contribution to desolvation, respectively.

c

ΔGpolar = ΔEele + ΔGGB, ΔGnonpolar = ΔEvdw + ΔGSA