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Evolution of the root-mean-squared deviation (r.m.s.d.) for the backbone atoms of the central superhelical structure (residues 7-48) of the 4PA with respect to the model structure calculated from the molecular dynamics simulation. (b) Model of designed D2-symmetric α-helical coiled-coil 4PA protein containing four DPP-FeIII cofactors. (c) Configuration of the model after 4 ns of molecular dynamics simulations.
