Table 2.
List of predicted top-ranked mutations for the 14 hotspot residues
| # | Residues | Top-ranked mutations and scores | Crucial sequence/structural property | |
|---|---|---|---|---|
| PopMuSiC3.1 | MAESTRO | |||
| ΔΔG (Kcal/mol); secondary structure, solvent accessibility (%) | ΔΔG (Kcal/mol), confidence score | |||
| 1 | THR7 | T7C = −0.11; C, 100 | 0.718, 0.731 | Highly flexible |
| 2 | SER8 | S8C = 0.07; C, 42.11 | 0.473, 0.837 | Highly flexible |
| 3 | ASP9 | D9P = −0.1; S, 87.93 | 0.352, 0.776 | Highly flexible |
| 4 | ARG47 | R47L = −0.76; S, 42.85 | 0.552, 0.808 | Completely conserved and highly flexible |
| 5 | THR288 | T288C = 0.06; C, 53.6 | −0.144, 0.933 | Highly flexible |
| 6 | LYS291 | K291R = −0.1; C, 51.9 | 0.041, 0.880 | Highly flexible |
| 7 | PRO318 | P318D = −0.16; C, 59.37 | −0.115, 0.923 | Completely conserved, highly flexible |
| 8 | ALA376 | A376Y = −0.33; H, 0 | −0.489, 0.863 | Completely conserved and forms a correlated hotspot with THR378 |
| 9 | THR378 | T378Q = −0.13; H, 34.15 | −0.615, 0.868 | Completely conserved and forms a correlated hotspot with ALA376 |
| 10 | ASP422 | D422C = −1.28; E, 0 | −0.667, 0.880 | Completely conserved and forms a correlated hotspot with ARG423 |
| 11 | ARG423 | R423Y = −0.26; S, 18.17 | −0.190, 0.904 | Completely conserved and forms a correlated hotspot with ASP422 |
| 12 | GLU596 | E596P = −0.49; C, 50.8 | 0.063, 0.890 | Highly flexible |
| 13 | VAL625 | V625I = 0.45; C, 20.73 | −0.058, 0.932 | Highly flexible |
| 14 | PRO626 | P626T = −0.01; C, 96.03 | 0.200, 0.840 | Highly flexible |