Table 1.
Driving Force Δ Predictions for Each Dronpa2 Hybrida
| chromophore variant |
driving force Δ (cm−1) |
difference from Dronpa2 ΔΔ (cm−1) |
hybrid protein |
point mutant driving force ΔΔ (cm−1) |
substituent driving force ΔΔ (cm−1) |
predicted combined driving force Δ (cm−1) |
|---|---|---|---|---|---|---|
| Dronpa2 (“wild type”) | 7010 | 0 | S142A/2,3-F2 | 5300 | +1290 (compensating) | 6590 |
| 2,3-F2 | 8300 | +1290 | S142A/3-CH3 | 5300 | −820 (enhancing) | 4480 |
| 3-CH3 | 6190 | −820 | T159E/2,3-F2 | 9200 | +1290 (enhancing) | 10490 |
| 3-OCH3 | 5070 | −1940 | T159E/3-OCH3 | 9200 | −1940 (compensating) | 7260 |
The left side shows either the additive or subtractive effect of a particular chromophore substituent on the driving force. The right side shows the predicted driving force for each hybrid combining the effect of the point mutant and the chromophore substituent. Driving force values are extracted from ref 23. and calculated from eq 1 with an electronic coupling V0 of 9530 cm−1. The chromophore modified with OCH3 possesses a somewhat smaller V0 than the unsubstituted counterpart,23 but for the current purpose the same V0 is used for driving force evaluation.