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Correlation between the restraint energy and structural quality provides additional useful information for the initial screening of candidate structures from a large number of trial structures. RMSD to native computed from the structures before (RMSDstart) and after (RMSDrefine) the refolding simulation. A 3 Å cutoff for the RMSD distortion to the current set of PaDSAR structures shows that 20 out of 25 had the native-like conformation.
