Figure 8
Comparison of the predicted and actual RMSD of the theoretical conformer models for the 25,972 experimentally determined structures. While the predicted RMSDs in panel (a) were computed using a single equation [Eq. (4)] for all 25,972 structures, those in panel (b) were computed using two different equations: Eq. (6) for the structures with NER≤10 and NNHA≤35 (in blue), and Eq. (7) for otherwise (in red).