Files in this Data Supplement:

• Supplemental file 1 - Sequences of mutagenic oligonucleotides used in the preparation of ToMO A mutants (Table S1); detailed description of the docking procedure used for the preparation of the ToMO/substrate and ToMO/reaction intermediate complexes; active sites of the initial complexes ToMO A/benzene and ToMO A/benzene-CCI (Fig. S1); structures of the complexes between the carbocationic intermediate for the reaction benzene/phenol and wt-ToMO, (I100A)-ToMO, and (F205L)-ToMO (Fig. S2); superimposition of the 50 lowest-energy structures of the complexes wt-ToMO/benzene carbocationic intermediate, (F205L)-ToMO/benzene carbocationic intermediate, wt-ToMO/CCI 7, and (I100A)-ToMO/CCI 7 (Fig. S3); superimposition of the 100 lowest-energy structures of the complexes wt-ToMO/benzene, (I100A)-ToMO/benzene, and (F205L)-ToMO/benzene (Fig. S4); structures of the model complexes of ToMO with the carbocationic intermediates for the reaction naphthalene/naphthol (Fig. S5); structures of the model complexes ToMO/CCI 14, ToMO/CCI 15, and (I100Q)-ToMO/CCI 16 (Fig. S6).
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