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. 2010 Oct 6;5(10):e13197. doi: 10.1371/journal.pone.0013197

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.