TABLE 1.
Lineage-defining SNPs and their impact on protein structures
| Protein | Lineage-defining mutation | ΔΔS in kcal mol−1 K−1 | Change in dynamics | ΔΔG in kcal mol−1 (DUET) | ΔΔG in kcal mol−1 (SDM) | Stability |
|---|---|---|---|---|---|---|
| Nsp12 | P323L | −0.33 | Decreasing flexibility | 0.43 (stabilizing) | 1.57 (stabilizing) | Stabilizing |
| Spike | D614G | −0.01 | Decreasing flexibility | 0.46 (stabilizing) | 2.33 (stabilizing) | Stabilizing |
| Orf3a | G251V | −0.39 | Decreasing flexibility | −0.6 (destabilizing) | −2.19 (destabilizing) | Destabilizing |
| Q57H | 0.44 | Increasing flexibility | −1.25 (destabilizing) | 0.87 (stabilizing) | Inconclusive | |
| Orf8 | L84S | 0.30 | Increasing flexibility | −1.41 (destabilizing) | −1.41 (destabilizing) | Destabilizing |
| Nsp2 | T85I | 0.07 | Increasing flexibility | 0.54 (stabilizing) | 1.93 (stabilizing) | Stabilizing |
| I120F | −1.30 | Decreasing flexibility | −1.04 (destabilizing) | −0.21 (destabilizing) | Destabilizing | |
| Nsp6 | L37F | −0.29 | Decreasing flexibility | −0.72 (Destabilizing) | −0.04 (neutral) | Inconclusive |
| Nucleocapsid | R203K | −0.98 | Decreasing flexibility | −1.57 (destabilizing) | −0.48 (destabilizing) | Destabilizing |
| protein (N) | G204R | −0.16 | Decreasing flexibility | −1.06 (destabilizing) | −1.95 (destabilizing) | Destabilizing |
| Nsp5 | G15S | −0.31 | Decreasing flexibility | −0.98 (destabilizing) | −0.79 (destabilizing) | Destabilizing |