Table 1.
The calculated outer and pore diameters, do and dp, with a description of the pore status, % of β-sheet secondary structure in the pore/C-terminal strands, and “straightness” of the strands by the β-strand order parameter using , where θα is the angle between the positional vectors connecting two Cα atoms and Nv is the total number of vector pairs for the residues in the pore/C-terminal strands for the Osaka mutant (ΔE22) and wild type Aβ1–42 barrels.
Aβ barrels | do (nm) | dp (nm)* | Pore status | % of β-sheet pore/C-term | Sβ pore/C-term |
---|---|---|---|---|---|
Conformer 1 Osaka mutant (ΔE22) | ~7.91 | ~2.10 | Opened | 41.6/2.4 | 0.58/0.45 |
Conformer 2 Osaka mutant (ΔE22) | ~7.62 | ~1.52 | Reduced | 46.6/5.1 | 0.57/0.43 |
Conformer 1 Aβ1–42 (wild type) | ~7.87 | ~1.98 | Opened | 46.0/3.8 | 0.56/0.45 |
Conformer 2 Aβ1–42 (wild type) | ~7.97 | ~2.18 | Opened | 50.4/5.8 | 0.57/0.45 |
Pore diameters are averaged along the pore axis within the cutoffs defined by the height of pore.