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Optimized equilibrium structures of (a) [Fe4S4(UIAUGAU)(βME)]2−, (b) [Fe4S4(CIACGAC)(βME)]2− and (c) [Fe4S4(JIAJGAJ)(βME)]2− maquettes in top view (upper row, space filling model) showing the ‘kinked-ribbon’ peptide conformation (H atoms and βME ligand are not shown for clarity) and side view with selected distances for cluster geometry and ligand coordination (bottom row) that also illustrate the network of interactions between the peptide and the cluster. (Online version in colour.)
