Table 2.

Predicted changes in ACE2 protein stability as consequence of residues changes.

DUET program results that display predicted change in folding free energy upon ACE2 missense variant (ΔΔG in kcal/mol). In the first three columns are reported single missense variants with specific position on ACE2 protein. The residues in the first column highlighted in gray are involved in N-glycosylation pattern NxT/S, therefore those missense variants determine the loss glycosylation of Asparagine 53 and 90, respectively. In the fourth column is reported ΔΔG analysis predict effects of missense variants on protein stability using an integrated computational approach. The column “Interaction Network around (5 Å)” shows for each single missense variant the residues around 5 Å. In this column, we highlight in green residues involved in spike SARS-CoV protein interaction, in yellow residues involved in Zinc coordination and finally in magenta residues of Asn involved in N-glycosylation. The last column defines the outcome of protein stability for each single missense variant. An increasing negative value for the ΔΔG is correlated with a higher destabilizing effect, while a positive value is associated with a variant predicted as stabilizing.