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(A) Original configuration of EC16BR. (B) Configuration after 3-ns MD simulation (C) Configuration of complex 42 in the bound state. The direction of a helix (black tube) in the lower right corner of the ferredoxin is shown for better comparison of these structures. The rotation mentioned in the text can be easily spotted by monitoring the direction of this helix. Residues 
(red) and 
(blue), which form a salt bridge after a 3-ns MD simulation as in B, are also shown.
