Figure 2.

FoldX predicted ∆∆G for B.1.351/Beta, B.1.617.2/Delta, P.1/Gamma, and B.1.1.529/Omicron variants for human and goat ACE2 (blue and orange boxes, respectively). For goat, the computed ∆∆G was significantly lower for the Beta variant than for the Delta, Gamma, and Omicron variants, with Mann–Whitney–Wilcoxon test p-values of $1.06\times {10}^{-2}$, $3.64\times {10}^{-3}$, and $3.20\times {10}^{-2}$, respectively. The average ∆∆G predicted from the 10 Modeller models is plotted as a white dot for each variant. We found no significant differences between the predicted ∆∆G values for human and goat of the different variants (Mann–Whitney–Wilcoxon test p-values of $4.85 \times {10}^{-1}, 5.15 \times {10}^{-1}, 7.64 \times {10}^{-1}, 6.61\times {10}^{-1}$ for Delta, Beta, Gamma, and Omicron, respectively). In this boxplot representation, the lower and upper ends of each box represent the first (Q1) and third (Q3) quartiles of the ∆∆G predicted values, respectively. The horizontal line, inside each box, represents the median, or second quartile (Q2), and the mean is plotted as a white dot for each variant. The box “whiskers” extend to values that are 1.5 times the size of the interquartile range (IQR = Q3 − Q1). Values that fall outside this range are displayed independently as black diamonds. Mann-Whitney-Wilcoxon test p-values are annotated according to the following criteria: ns (0.05 < p-value ≤ 1), * (0.02 < p-value ≤ 0.05), ** (0.001 < p-value ≤ 0.02).