Figure 3.
Convergence of the m04ED core structure at different phases of the structure determination process. Ribbon diagrams of the 10 lowest-energy models at selected stages of CS-Rosetta/RASREC structure calculations outlined in Table 1. Each ensemble is superimposed on the coordinates of the lowest-energy model and colored blue to red from N- to C-terminus. The fraction of residues converged within 3 Å backbone RMSD is indicated in each diagram. The final ensemble of (c) is converged to an average backbone RMSD of 0.85 Å, excluding the flexible loop region spanning residues 95-102.