Heuristic energy-based cyclic peptide design
Fig 4
Comparison with Rosetta experimentally validated 7-residue designs [13].
(a,b) From our 513 designs, we find designs (colored in orange) for which the backbones align best with the Rosetta designs (light blue). The residues having different side-chains are marked in red. (c) Design 475 has an alternate low-energy structure (purple), leading to a low value. The amino acid sequences are written in one-letter codes, with uppercase for L-amino acids, and lowercase for D-amino acids.