Fig. 2.

RMSD-based FragFit benchmarks. a Absolute backbone RMSD values of predicted fragment (top-hit) and original segment by FragSearch (double triangle) or FragFit (black star). b Comparison of absolute backbone RMSD values of predicted fragment (top-hit) and original segment by FragFit for the different structural elements helices (grey square), β-sheets (black rhombus) or loops (gray triangle). c Comparison of ΔRMSD (=RMSD FragSearch – RMSD FragFit) of top hit (gray bar) and top five hits (blue bars). d Comparison of ΔRMSD of top hits (gray bars) and only those top-hits were the RMSD of FragSearch is above the mean-value