Fig. 2.

X-ray crystal structures of DACM-M-TTR and DACM-WT-TTR. a Superposition of the structures of DACM-M-TTR (blue), DACM-WT-TTR (magenta) and WT-TTR (yellow, pdb code: 1BMZ [43]). b Tetrameric structure of DACM-M-TTR. The residues Met87 and Met110, that destabilize the tetrameric structure in solution, are shown as sticks. c MD simulations of DACM-M-TTR: Trp41, Trp79 and the most populated conformation of Cys10-DACM are shown as sticks. d Distributions of the spatial distances between the centers of mass of Trp41 and DACM (black) and those of Trp79 and DACM (red), calculated using MD simulations starting from the crystal structure of DACM-M-TTR. The dashed lines indicate the mean spatial distances assuming a single average conformer for the DACM moiety