Amide Proton Solvent Protection in Amylin Fibrils Probed by Quenched Hydrogen Exchange NMR
Figure 5
Comparison of experimental HX rates obtained in this work (gray symbols) with theoretical simulations of amylin fibril flexibility (black symbols).
(A) Theoretical B-factors obtained from a GNM calculation [32], [42] of protein dynamics based on the ssNMR model of amylin fibrils [10]. The B-factors were averaged over the 10 amylin monomers in the ssNMR model [10]. (B) Predicted 2DIR lineshapes (Γi) for amylin fibrils calculated from a MD simulation of the ssNMR amylin fibril structural model. The Γi data are from Fig. 9 of reference [12].