Figure 4.

Conformational changes at the entry gate for all systems. a) Phe617-loop resides between proximal and distal binding pocket. Conformations of residue Thr676 are monomer specific, and it has been measured here by taking phenylalanine 563 (Phe563) residue as a reference. b) Distances between residues Phe563 and Thr676 are plotted with respect to time. In the model systems 1 and 4, the entry gate (distances between Thr676 and Phe617 loop) remains unchanged while for the model system 2 and 3, the entry gate closes.