Results for binding pocket models (see Tab. S11 in the SI) and hinge models optimized in the pocket and then calculated in vacuum (Tab. S12 in the SI) show essentially identical spin-density distributions as for complexes computed in vacuum. Therefore, we can conclude that the influence of the nearby protein environment on the spin-density distribution in the hinge model from PSII is rather small. This, however, might change if larger parts of the environment are considered.