Table 1.
Energy contributions of the eight directed-evolution mutations to the NTS binding (kcal⋅mol− 1)
| Mutation | MM | Polar | Apolar | Total | |||||
|---|---|---|---|---|---|---|---|---|---|
| TadA7.10 | TadA8e | TadA7.10 | TadA8e | TadA7.10 | TadA8e | TadA7.10 | TadA8e | ||
| A109S | -1.97 | -1.34 | 1.01 | 0.73 | -0.18 | -0.04 | -1.14 | -0.65 | |
| T111R | -0.75 | -44.40 | 0.27 | 20.27 | -0.02 | -0.30 | -0.50 | -24.43 | |
| D119N | 25.23 | -0.31 | -0.89 | 0.07 | 0.00 | 0.00 | 24.34 | -0.24 | |
| H122N | -0.08 | -0.45 | 0.04 | 0.14 | 0.00 | 0.00 | -0.05 | -0.31 | |
| Y147D | -0.07 | 34.48 | 0.10 | -3.38 | -0.01 | 0.00 | 0.01 | 31.10 | |
| F149Y | -3.79 | -4.28 | 0.22 | 2.56 | -0.40 | -0.31 | -3.97 | -2.03 | |
| T166I | 0.11 | -0.09 | 0.08 | -0.01 | 0.00 | 0.00 | 0.19 | -0.11 | |
| D167N | 34.09 | -0.27 | -2.84 | 0.09 | -0.04 | 0.00 | 31.20 | -0.18 | |