FIGURE 2.

Models of monomeric and dimeric IAPP derived from NMR and constrained MD simulations. A, seven representative conformers of monomeric IAPP superimposed using the backbone atoms of residues 9–19 are shown in red. The N-terminal segment comprising residues 1–8 is highlighted in green. The conformations of the C-terminal residues shown in cyan are divergent. B, representative conformer of IAPP dimer. The short residual helical fragments are highlighted as red cylinders. The residues His-18 and Tyr-37 are shown as sticks (magenta). C, sketch diagram of potential conversion from dimers to higher level aggregates. The structured helical regions are highlighted in red, and nonstructural parts are shown as dashed lines. Side chains of His-18 and Tyr-37 mediating interactions between individual strands are shown.