Notably, the variability of computed CD spectra among the conformers in each of the clusters remain very large, as can be seen in Fig. and Fig. . This is because in our approach the conformer similarity is assessed by aligning only the peptide backbone, and not the side chains, whose effect on the CD excitations is large and is taken into account in our calculations. Only for clusters 7 and 11, which present a predominantly ordered structure, is the spectral variability reduced (Fig. ), in agreement with previous studies. However, despite the spectral variability, the CD spectrum of each central structure captures the main common features within its cluster, with only few exceptions (such as cluster 17 in Fig. ).