Table 5.
Energetic components of the dimerization energy (Gbind) between nsp16 and nsp10.
| System | ΔEvdW | ΔEelec | ΔGpol | ΔGnp | ΔGbind | |
|---|---|---|---|---|---|---|
| WT | −90.4 (0.2) | −429.4 (3.0) | 481.7 (3.2) | −9.6 (0.0) | −47.7 (0.4) | |
| I40A | −86.0 (0.2) | −429.2 (3.0) | 480.5 (3.2) | −9.5 (0.0) | −44.2 (0.4) | 3.5 (1.2) |
| V44A | −88.0 (0.2) | −429.2 (3.0) | 481.4 (3.2) | −9.6 (0.0) | −45.5 (0.4) | 2.1 (1.5) |
| V78A | −87.5 (0.2) | −429.5 (3.0) | 481.0 (3.2) | −9.5 (0.0) | −45.5 (0.4) | 2.2 (1.5) |
| R86A | −87.5 (0.2) | −522.6 (3.0) | 574.5 (3.3) | −9.5 (0.0) | −45.1 (0.4) | 2.6 (2.5) |
| Q87A | −86.8 (0.2) | −416.9 (3.0) | 466.8 (3.2) | −9.4 (0.0) | −46.2 (0.4) | 1.5 (1.6) |
| V104A | −86.9 (0.2) | −429.7 (3.0) | 481.11 (3.2) | −9.4 (0.0) | −44.9 (0.4) | 2.8 (1.5) |
| M247A | −87.1 (0.2) | −428.5 (3.0) | 479.0 (3.2) | −9.6 (0.0) | 46.1 (0.4) | 1.5 (0.8) |
Along with the Computational Alanine-Scanning (CAS) mutagenesis results of the complex nsp16/nsp10. The binding energy is given in kcal/mol, and the standard error of the mean is provided in parentheses.
= .