Table 1. Correlation between SARS-CoV 3CLpro activity and structural properties of substituting residues.
Position | Side chain volume | Hydrophobicity | α-helix propensity | β-sheet propensity |
P5 | 0.331 (0.154) | 0.573 (0.008)* | −0.064 (0.789) | 0.711 (<0.001)* |
P4 | −0.424 (0.063) | 0.587 (0.006)* | −0.147 (0.536) | 0.315 (0.176) |
P3 | 0.338 (0.144) | 0.221 (0.349) | 0.170 (0.473) | 0.510 (0.022) |
P2 | 0.255 (0.277) | 0.590 (0.006)* | 0.379 (0.100) | 0.304 (0.192) |
P1 | 0.038 (0.873) | −0.269 (0.252) | 0.126 (0.595) | 0.021 (0.931) |
P1' | −0.660 (0.002)* | 0.233 (0.323) | −0.222 (0.347) | −0.143 (0.548) |
P2' | −0.363 (0.116) | 0.022 (0.926) | −0.097 (0.685) | 0.048 (0.841) |
P3' | 0.496 (0.026) | 0.094 (0.695) | −0.017 (0.944) | 0.486 (0.030) |
The relative activity was correlated with scales for side chain volume, hydrophobicity, and α-helix and β-sheet propensities of the substituting residues [20], [21], [22]. The correlation coefficients and p-values (in parenthesis) were reported. Significant correlations with p-value<0.01 were bolded and marked with asterisks.