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All-atom representation viewed along z of the most characteristic conformations sampled during the process Ext-to-Int (see Fig. 4 for the position on the free energy surface). Contacts: I, COO-Arg132, NH3- Glu117; II, COO-Arg82, O2-Arg82, O1-Arg42, NH3- Glu117; and III, O2-Lys16, O1-Arg42, NH3- Glu117.
