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(back to Conformational 3)
In FMN switches, the "bonus" given by the presence of the ligand in the solution is itself a function of the concentration of the FMN species (see this GetSat thread for details). Using the "hack" I talked about in Conformational 1, I simulated a few contexts with variable bonuses for JR's design.
- the centroid structure switches from an unbound-like structure to a bound-like one at a ΔG = -2.9 kcal.mol-1
- the MFE structure change occurs at ΔG -3.2 kcal.mol-1