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. Author manuscript; available in PMC: 2020 Apr 25.
Published in final edited form as: J Phys Chem B. 2019 Apr 15;123(16):3452–3461. doi: 10.1021/acs.jpcb.9b01294

Figure 4.

Figure 4.

3D representation of the perturbation network in the region close to the hR18-fE67 salt bridge. A weight threshold wt = 5 is used for the network visualization. The perturbations associated with PRFAR binding show the relative reduction (blue lines) and increase (red lines) of the number of contacts between heavy atoms. The hR18-fE67 salt-bridge rupture upon effector binding is associated with modifications of polar and ionic interactions between the hα1 and hα4 helices and the fα2-fβ3 turn, along with contact losses and partial unfolding at the beginning of hα1 helix, where the Ω-loop is located.