Table 1.
ACE2 SNPs analyzed in this study, their frequencies, and Global Energy Score (GES, Kcal/mol) of the interaction between wild type ACE2 or ACE2 missense variants and SARS-Cov-2 Spike protein.
| ACE2 wild type or missense variant | dbSNP ID | Frequency |
Template-based modeling GES (Kcal/mol)a |
Ab initio docking GES (Kcal/mol)a |
Total GES (Kcal/mol)b |
|||
|---|---|---|---|---|---|---|---|---|
| GnomAD Exomes | Average | SD | Average | SD | Average | SD | ||
| Wild type | - | – | −48.15 | 1.83 | −50.45 | 0 | −49.3 | 1.71 |
| I21T | rs1244687367 | 0.000005 | −53.83 | 4.35 | −53.96 | 3.93 | −53.9 | 3.71 |
| I21V | rs778030746 | 0.000011 | −42.76 | 0.43 | −41.17 | 0.65 | −41.97 | 1 |
| E23K | rs756231991 | 0.000005 | −37.66 | 5.38 | −45.68 | 0.43 | −41.67 | 5.56 |
| A25T | rs1434130600 | – | −55.89 | 0.54 | −54.43 | 0.62 | −55.16 | 0.95 |
| K26R | rs4646116 | 0.003971 | −55.2 | 0.36 | −54.51 | 1.43 | −54.86 | 1.01 |
| K26E | rs1299103394 | 0.000005 | −40.94 | 2.48 | −40.24 | 0.69 | −40.59 | 1.67 |
| T27A | rs781255386 | 0.000011 | −47.51 | 1.01 | −40.99 | 2.07 | −44.25 | 3.86 |
| E35D | rs778500138 | – | −47.87 | 1.24 | −44.42 | 3.63 | −46.14 | 3.08 |
| E35K | rs1348114695 | 0.000016 | −36.68 | 4.85 | −42.19 | 1.03 | −39.43 | 4.35 |
| E37K | rs146676783 | 0.000033 | −54.65 | 2.38 | −53.92 | 1.33 | −54.29 | 1.77 |
| F40L | rs924799658 | 0.000016 | −52.76 | 0.44 | −50.75 | 3.34 | −51.76 | 2.4 |
| S43R | rs1447927937 | 0.000005 | −42.82 | 0.99 | −45.28 | 0.39 | −44.05 | 1.5 |
| Y50F | rs1192192618 | 0.000005 | −45.33 | 0.32 | −44.12 | 0.61 | −44.72 | 0.79 |
| N51D | rs760159085 | 0.000005 | −39.55 | 0.72 | −38.45 | 2.67 | −39 | 1.85 |
| T55A | rs775273812 | 0.000006 | −57.8 | 4.06 | −54.67 | 2.7 | −56.24 | 3.53 |
| N58K | rs771621249 | 0.000011 | −45.68 | 3.24 | −54 | 0.84 | −49.84 | 5.03 |
| N58H | rs1222417695 | 0.000011 | −46.26 | 0.06 | −40.53 | 2.16 | −43.39 | 3.42 |
| Q60R | rs759162332 | 0.000011 | −51.12 | 4.87 | −54.81 | 0.12 | −52.96 | 3.68 |
| M62V | rs1325542104 | 0.000006 | −53.77 | 0.03 | −47.37 | 3.07 | −50.57 | 4.01 |
| N64K | rs1199100713 | 0.000005 | −45.51 | 3.81 | −48.97 | 1.46 | −47.24 | 3.2 |
| K68E | rs755691167 | 0.000011 | −39.34 | 0.63 | −37.75 | 0.45 | −38.54 | 1 |
| F72V | rs1256007252 | 0.000005 | −46.91 | 1.51 | −50.35 | 0.88 | −48.63 | 2.18 |
| E75G | rs867318181 | – | −52.47 | 1.29 | −54.27 | 0.44 | −53.37 | 1.31 |
| S77F | rs1234981462 | N.D. | −44.85 | 4.78 | −49.97 | 0.24 | −47.41 | 4.13 |
| M82I | rs766996587 | 0.000011 | −33.49 | 2.7 | −42.39 | 1.05 | −37.94 | 5.21 |
aValues are averages of GES obtained with the three different 3D PDB SRARS-CoV-2 Spike protein RDB structures (6LZG chain B, 6M0J chain E or 6M17 chain E), which were used as ligands. SD, standard deviation. bValues are averages of GES obtained with the two methods (template-based modeling or ab initio docking) and the three different 3D PDB structures.