Fig 1.
Distribution of DockQ score for Incorrect, Acceptable, Medium, and High quality models, respectively for (A) MOAL-set, and (B) CAPRI-set.
The colored bars corresponding to each CAPRI class represents frequency distribution of models predicted to be falling in a particular class normalized by the total number of models in that class.
Fig 2.
Scatter plot IS-score vs. DockQ on the CAPRI-set.
Models are colored according to CAPRI classification as Incorrect (blue), Acceptable (cyan), Medium (red), High (green). The overall correlation is R = 0.98, while the correlation within the different quality classes is 0.77, 0.82, 0.90, and 0.65, respectively.
Fig 3.
Precision (PPV) vs. Recall plots for the ability of DockQ and IS-score to separate models with (A) Acceptable or better, (B) Medium or better, and (C) High quality, respectively, on the CAPRI-set.
The area under the curves (AUC) for DockQ and IS-score are (0.98, 0.99, 0.97) and (0.89, 0.92, 0.82) respectively for (A) Acceptable, (B) Medium and (C) High.