Figure 2

The performance of different module combinations of TransCent as judged by in silico recapitulation of active sites. Mean IDENT_RES values and standard deviations were determined for different combinations of modules. Abbreviations for modules are: ST (stability), LB (ligand binding), KP (knowledge-based potential), and PK (pK_a values). For each combination of modules, 20 models were generated for each enzyme belonging to ENZ_TEST _hom . Values labeled with a # originate from a leave-one-out cross validation test.