Fig. 4.
Results for two Rosetta antibody benchmark targets. (A) Plots of Rosetta energy and DeepH3 energy versus RMSD from the experimental structure for 2800 decoy structures for anti-ALOX12 scFv. The five best-scoring structures in each funnel plot are indicated in red. Five relaxed native structures are plotted as orange triangles. (B) Experimental structure of anti-ALOX12 scFv (green) with best-scoring structures by Rosetta energy (orange, 7.2 Å RMSD) and DeepH3 energy (violet, 1.6 Å RMSD). (C) Plots of energy versus RMSD from the experimental structure for anti-dansyl mAb. (D) Experimental structure of anti-dansyl mAb (green) with best-scoring structures by Rosetta energy (orange, 2.5 Å RMSD) and DeepH3 energy (violet, 4.0 Å RMSD)