Energetic Selection of Topology in Ferredoxins
Figure 6
Protein ensemble generated by modifying psi, phi and chi dihedral angles.
For a model heptapeptide-cluster complex, CGGCGGC fused to an iron-sulfur cluster, there are total 6 ψ angles, 6 Φ angles, 3 χ1 angles, and one each for χ2 and χ3 angles. The permutations are carried out by 60 degrees step size for Φ and ψ and 120 degrees step size for χ angles.