Table 2. Fitting Parameters of 1 Population and 2 Populations of Distal Mutants and Wild Type E. coli DHFR.
| 1 population |
2 populations |
|||
|---|---|---|---|---|
| DHFR | DAD0 (Å) | f (kcal/mol/Å2) | DADL (Å) | ΔG (kcal/mol) |
| WT | 3.06 ± 0.06a | >250a,b | 3.06 ± 0.004a | >2.5a,b |
| W133F | 3.06 ± 0.00003 | >250b | 3.05 ± 0.0002 | >2.9b |
| G121V | 3.08 ± 0.001a | 390a | 3.07 ± 0.0002a | 2.86 ± 0.06a |
| M42W | 3.12 ± 0.006a | 80 ± 7a | 3.07 ± 0.001a | 1.87 ± 0.05a |
| F125M | 3.24 ± 0.05 | 26.9 ± 8 | 3.09 ± 0.005 | 1.69 ± 0.07 |
| G121V-F125M | 3.29 ± 0.006 | 3.73 ± 0.1 | ||
| M42W-G121V | 3.34 ± 0.02a | 4.39 ± 0.3a | ||
| M42W-F125M | 3.33 ± 0.005 | 4.51 ± 0.09 | ||
a
Reference (55).
b
In case of temperature independent KIEs, i.e., whenever the trend in values with temperature is smaller than the experimental error, the regression gives a value that represents the experimental error as the upper limit of the parameter’s value (f or ΔG). This value is not an indication of a trend in KIEs vs temperature, just of the experimental confidence in the limiting value.