FIG 3.

Orthogonal validation and quality assurance for structure-to-function inference. (A and B) Quality assurance and validation protocol assignment (A) and decision workflow for retaining functional annotations inferred from structural similarity to proteins of solved structure and known function (B). (C) Heat map depicting fraction of EC number inferences corroborated by HHpred at each level of specificity. Fraction denominator is binned according to the number of EC digits annotated (x axis). (D and E) Structure quality assurance. Distribution of fraction of residues in “most favorable” region of Ramachandran plot prior to (D) and following (E) application of a heuristic threshold to discard biophysically improbable structural models.