Fig002

Probability densities aggregated over all production MD simulations. (A) Cα Distance between Cys147 and Cys204. (B) \(\Psi\) dihedral angle of Cro66. (C-E) Hydrogen bond distance from Thr203, Tyr145, and His148 to the Cro66 phenolate oxygen, respectively. (F) Structural depiction of the deprotonated (anionic) roGFP2 chromophore in its phenolate form, highlighting the \(\Psi\) dihedral angle and key surrounding residues involved in chromophore stabilization and fluorescence.