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Figure 9
Two misoriented peptides in PDB entry 1xgo, flagged by Ramachandran and CaBLAM outliers (magenta outlines on the CO virtual dihedrals). (a) Residues 86–91 in the deposited structure with PDB code 1xgo. (b) CDL/E&H result, with unchanged conformation and outliers. (c) Amber result, with several peptide orientations changed by modest amounts (red spheres on CO), removing the backbone outliers and very closely matching the conformation for PDB entry 1xgs shown in (d).

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