FRET-Rosetta modeling produces convergent solutions to the core domain architecture. (A) Superposition of top scoring RNP models generated with an unformed P1 stem for stalled telomerase complexes. (B) Distances from the Rosetta models utilizing the FRET distance constraints are converted to predicted FRETs and plotted versus the corresponding experimental FRET values. The correlation confirms that the modeling process is satisfying all distance constraints during the modeling process. (C) Lowest energy models for RNP architecture when the ScoreFRET term is removed from the scoring function. (D) Removal of the FRET distance constraints during Rosetta modeling results in predicted FRETs that are uncorrelated from the experimental FRET values, suggesting the ScoreRNA and Scoreclash are insufficient for producing an accurate representation of the experimental FRET values. Error bars (B,D) in the x-direction are computed by taking the standard deviation of the predicted FRET values for the 10 lowest scoring models in the largest cluster. Error bars in the y-direction are the standard deviations of the peaks from the experimental FRET histograms.
