The reaction and activation energies were computed as linear transit calculations without thermochemical or zero-point vibrational energy corrections as these have shown to be small for hydrogen abstractions. The reported energies for the reactant, product and transition state structures were obtained from single-point calculations on the QM/MM optimized structures, employing the def2-TZVPP basis set (with an auxiliary basis set of the same size) and the functionals TPSS-D3 and B3LYP-D3. The single-point calculations include protein electrostatics, and a MM contribution calculated with TPSS/def2-SV(P). For brevity, we generally denote these functionals as TPSS and B3LYP throughout the paper although all calculations (for energies and geometries) always included dispersion corrections. On several occasions we compare to previous calculations, where generally TPSS/def2-SV(P) was used for geometry optimizations and B3LYP/def2-TZVPD for single point energies.