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Comparison between experimental and computationally selected rotamers for the Zwit1f β-peptide scaffold using denovo β-peptide rotamer library. β314 backbone carbon atoms are shown in green, crystallographic sidechain carbon atoms shown in blue and computationally selected rotamers shown in magenta. Oxygen and nitrogen atoms are shown in red and blue respectively. Note the good identity and rotameric agreement between 6 of the 8 core β3-homoLeucines and 3 of 4 aromatic residues.
