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. Author manuscript; available in PMC: 2023 Mar 9.
Published in final edited form as: J Am Chem Soc. 2022 Feb 24;144(9):3968–3978. doi: 10.1021/jacs.1c12305

Table 1.

Driving Force Δν¯ Predictions for Each Dronpa2 Hybrida

chromophore
variant
driving force
Δν¯ (cm−1)
difference from Dronpa2
ΔΔν¯ (cm−1)
hybrid
protein
point mutant driving
force ΔΔν¯ (cm−1)
substituent driving force
ΔΔν¯ (cm−1)
predicted combined driving
force Δν¯ (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
a

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.