Skip to main content
. Author manuscript; available in PMC: 2014 Oct 3.
Published in final edited form as: J Phys Chem B. 2013 Sep 13;117(39):11518–11529. doi: 10.1021/jp405389n

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 Sβ=(1/Nv)k=1Nv((3cos2θα-1)/2), 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.