Figure 4From: TransCent: Computational enzyme design by transferring active sites and considering constraints relevant for catalysisMSA showing the outcome of in silico recapitulation experiments for cytochrome P450 2B4. Different combinations of modules were used to generate models in a recapitulation experiment. The first column lists the module combination, the last column the number and fraction of correctly determined residues belonging to ACT_CENT. The last line gives the native sequence as deduced from pdb-entry 1po5. Recapitulated residues are indicated by a gray background. Abbreviations for modules are: ST (stability), LB (ligand binding), KP (knowledge-based potential) and PK (pKa values).Back to article page