Figure 2
Boxplots representing interatomic distance (bond-length) distributions for the ten most common types of linkage that are unannotated using link/connectivity records in the PDB for which linkage descriptions are available in the CCP4-ML. Linkage types are encoded as `Monomer1[Atom1]–Monomer2[Atom2]'; these correspond to the rows in Table 2 . For each linkage type, boxplots are shown corresponding to unannotated (orange, left) and annotated (grey, right) potential linkages. Ideal bond lengths according to the CCP4-ML are shown as solid red lines, with dotted red lines representing two estimated standard deviations from the target values. This figure was created using R (R Core Team, 2020 ). |