Fig. 2

Ramachandran plots and fragment quality profiles. Assessment of fragments generated using distinct input data and their effect on Rosetta ab initio simulations. With the exception of the panel identifiers, the image was created with the code presented in Table 1. a Ramachandran distribution of a query structure. b Fragment quality comparison between sequence- and structure-based fragments. The plot shows a particular region of the protein for which sequence-based fragments present much larger structural deviations than structure-based fragments in comparison with the query protein. c Rosetta ab initio simulations performed with sequence- (left) or structure-based (right) fragments. Fragments with a better structural mimicry relative to the query structure present an improved folding funnel