Ig-VAE: Generative modeling of protein structure by direct 3D coordinate generation
Fig 2
Analysis of Full-Atom Reconstructions.
Reconstruction data for 500 randomly chosen, non-redundant structures in the training set. (A) Overlays of the pairwise distance and Ramachandran distributions of the real and reconstructed data. (B) A table of the reconstruction errors in pairwise distance and Ramachandran angle before and after refinement. The distance errors are reported as per-pairwise-distance error averaged over all structures in the dataset, and analogously for the angle errors. (C) Overlays of the real (blue), reconstructed (pink) and refined (green) structures. (D) Overlays of the bond length and bond angle distributions of the real, reconstructed and refined data. Overall, structures are accurately reconstructed, and errors in atom placement are small enough that they can be corrected with minimal changes to the model outputs.