Table 4.
Comparison of the prediction performance obtained by using ESA- and HOA-normalized target ASA values.
Res. | Freq | MAE | CC | P-values | |||||||
Rel (ESA) (%) |
Rel (HOA) (%) |
Abs (ESA) (Å2) |
Abs (HOA) (Å2) |
Rel (ESA) |
Rel (HOA) |
Abs (ESA) |
Abs (HOA) |
t-test | u-test | ||
A | 30972 | 14.81 | 14.13 | 16.22 | 15.64 | 0.63 | 0.65 | 0.63 | 0.66 | 0.002 | 5.0e-10 |
C | 5156 | 10.39 | 13.28 | 14.53 | 12.25 | 0.33 | 0.35 | 0.33 | 0.37 | 8.39e-13 | 0 |
D | 22482 | 21.04 | 17.30 | 30.31 | 29.73 | 0.49 | 0.50 | 0.49 | 0.52 | 0.018 | 0.579 |
E | 25303 | 20.09 | 17.00 | 35.11 | 34.12 | 0.49 | 0.50 | 0.49 | 0.52 | 5.21e-04 | 0.027 |
F | 15016 | 11.60 | 11.63 | 23.22 | 21.71 | 0.40 | 0.44 | 0.40 | 0.45 | 7.28e-06 | 0 |
G | 27935 | 20.25 | 17.60 | 15.31 | 15.90 | 0.51 | 0.52 | 0.50 | 0.54 | 0.621 | 2.3e-4 |
H | 8596 | 16.22 | 16.36 | 29.50 | 29.28 | 0.54 | 0.55 | 0.54 | 0.56 | 0.825 | 0.581 |
I | 21345 | 10.80 | 11.21 | 20.05 | 17.55 | 0.46 | 0.50 | 0.46 | 0.50 | 2.79e-13 | 0 |
K | 21997 | 17.82 | 17.46 | 36.64 | 36.97 | 0.43 | 0.43 | 0.43 | 0.45 | 0.015 | 0.008 |
L | 34119 | 11.40 | 11.27 | 20.86 | 19.34 | 0.47 | 0.51 | 0.47 | 0.51 | 1.58e-12 | 0 |
M | 8130 | 12.20 | 12.99 | 24.40 | 21.84 | 0.48 | 0.52 | 0.48 | 0.53 | 3.44e-10 | 0 |
N | 16660 | 20.87 | 17.63 | 30.55 | 30.38 | 0.53 | 0.52 | 0.53 | 0.54 | 0.621 | 0.148 |
P | 17214 | 17.96 | 18.39 | 25.47 | 25.23 | 0.52 | 0.53 | 0.52 | 0.54 | 0.514 | 0.426 |
Q | 14334 | 18.73 | 17.21 | 33.46 | 33.31 | 0.52 | 0.52 | 0.52 | 0.53 | 0.993 | 0.194 |
R | 18302 | 17.57 | 16.21 | 40.23 | 39.85 | 0.46 | 0.46 | 0.46 | 0.47 | 0.243 | 0.647 |
S | 22408 | 18.62 | 16.48 | 21.83 | 21.64 | 0.56 | 0.57 | 0.56 | 0.58 | 0.944 | 0.092 |
T | 20973 | 16.71 | 15.61 | 23.17 | 22.97 | 0.56 | 0.58 | 0.56 | 0.58 | 0.710 | 0.343 |
V | 26399 | 11.72 | 11.69 | 18.04 | 16.56 | 0.52 | 0.55 | 0.51 | 0.55 | 0.000 | 0 |
W | 5625 | 11.77 | 13.80 | 28.35 | 26.76 | 0.36 | 0.37 | 0.36 | 0.38 | 0.008 | 9.93e-7 |
Y | 13636 | 13.24 | 13.45 | 28.29 | 27.73 | 0.42 | 0.43 | 0.42 | 0.43 | 0.110 | 0.040 |
Abbreviations: Res: Residue ID, MAE: mean absolute error in prediction measured in percentage points, CC: Correlation coefficient, Rel: relative ASA values, Abs: using absolute area units, t-test: Student's t-test statistics, u-test: Mann-Whitney u-test