Table 4.
Mutations in beta subunit of RNAP | mCSM (ΔΔG in kcal/mol) | mCSM-lig (log change) | mCSM-NA (ΔΔG in kcal/mol) | mCSM-ppi (ΔΔG in kcal/mol) | DynaMut (ΔΔG in kcal/mol) | Overall Impact | Reference |
---|---|---|---|---|---|---|---|
A411T | −0.66 | NA | 3.68 | −0.29 | 0.06 | Moderate Impact | [50] |
V424G | −1.48 | NA | 0.03 | −0.50 | −0.54 | High Impact | [51] |
G432S | −0.56 | −0.83 | 3.68 | 0.48 | 1.17 | Moderate Impact | [50] |
T433I | −0.24 | −0.57 | −3.56 | 0.11 | 2.06 | Moderate Impact | [50] |
L436P | −1.19 | −0.74 | 0.04 | −0.70 | −2.07 | High Impact | [50] |
Q438V | 0.05 | −0.94 | −1.61 | −0.21 | 1.4 | Moderate Impact | [50] |
D441V | 1.67 | −0.20 | 0.34 | 0.17 | 2.82 | Moderate Impact | [50] |
D441Y | 0.17 | −0.14 | 5.99 | −0.26 | 1.12 | Moderate Impact | [50] |
D441N | −0.06 | −0.10 | 2.00 | −0.43 | 0.71 | High Impact | [50] |
Q442H | 0.58 | −0.12 | 1.77 | 0.36 | 3.44 | Moderate Impact | [52] |
N443S | 0.18 | 0.06 | 2.13 | −0.11 | 0.42 | Moderate Impact | [53] |
P445G | −2.16 | 0 | 0.03 | −0.49 | 0.92 | High Impact | [53] |
P445A | −1.77 | 0 | 0.03 | −0.49 | 2.01 | Moderate Impact | [53] |
L446V | −1.71 | 0 | 0.04 | −0.81 | −5.29 | Moderate Impact | [53] |
H451Y | −0.10 | −0.09 | 2.31 | −0.34 | 2.17 | Moderate Impact | [50] |
H451D | −1.73 | −0.75 | −3.63 | −0.39 | −3.03 | High Impact | [50] |
K452M | −0.28 | −0.08 | −2.93 | −0.40 | 1.51 | Moderate Impact | [53] |
R453F | −1.90 | −0.18 | 3.36 | −0.32 | −1.28 | High Impact | [53] |
S456L | −0.19 | −0.30 | −3.55 | −0.07 | 3.12 | Moderate Impact | [50] |
S456M | −0.15 | −0.36 | −3.56 | 0.068 | 2.36 | Moderate Impact | [50] |
S456F | −0.83 | −0.27 | 2.08 | −0.29 | 6.85 | Moderate Impact | [50] |
S456W | −0.81 | −0.45 | 4.92 | −0.54 | 4.99 | Moderate Impact | [50] |
L458V | −1.11 | −1.26 | 0.04 | −0.32 | −1.09 | High Impact | [50] |
G459A | −0.47 | −0.71 | 0.06 | −0.44 | 0.68 | Moderate Impact | [53] |
G461A | −0.28 | NA | −0.04 | 0.39 | −3.21 | High Impact | [53] |
S464W | −0.73 | −0.63 | 4.53 | −0.31 | 2.47 | Moderate Impact | [53] |
E466Q | 0.44 | −0.56 | 1.51 | −1.04 | −0.77 | High Impact | [53] |
G469L | −0.43 | NA | −0.12 | −0.91 | −0.15 | High Impact | [53] |
G469P | −0.43 | NA | −0.13 | −0.84 | −0.47 | Moderate Impact | [53] |
L470I | −0.71 | NA | 0.09 | −0.19 | 0.66 | Moderate Impact | [53] |
E471K | 0.31 | NA | 3.52 | −0.15 | −0.50 | High Impact | [53] |
R473G | −1.81 | NA | −2.20 | −0.51 | −1.59 | High Impact | [53] |
V475M | −0.70 | NA | 0.04 | −3.30 | 0.40 | High Impact | [53] |
H479N | −2.01 | NA | −1.67 | −1.37 | −3.69 | High Impact | [53] |
G481R | −1.31 | NA | 2.40 | −2.31 | −1.44 | High Impact | [53] |
E487K | 0.61 | −0.22 | 3.32 | −0.30 | 0.40 | High Impact | [53] |
P489L | −0.81 | −0.25 | −0.28 | −0.95 | 1.23 | High Impact | [53] |
E490Q | −0.21 | −0.58 | 1.85 | −0.75 | −1.14 | High Impact | [53] |
R505W | −0.25 | NA | 6.20 | −0.56 | 2.47 | Moderate Impact | [50] |
*NA = Not applicable.