Fig. 3: Structural accuracy of decoys.

a Each plot shows one protein, indicated by its PDB code and the percentage of α-helix and β-sheet in the experimental structure, according to DSSP⁶¹. The experimental structure is indicated by an asterisk and is the best scoring model in the NMR ensemble, according to our method. The other data show decoys generated by 3DRobot³², and color coded by their Global Distance Test (GDT), a measure of similarity to the target³³, as indicated by the color bar on the right. For two proteins, red boxes indicate the set of decoys used to calculate mean hydrogen bond correctness, as discussed in the text. b A comparison of experimental structure (orange) and best decoy (blue) for the protein 1gh5.