Table 1.
Characterization of the 10 Single-Molecule States of the Aβ42 WT and S8C Dimersa
| system | state | P | (β, α)a | (β, α)b | (β, α)c | N1 | N2 | N3 | resα | resβ |
|---|---|---|---|---|---|---|---|---|---|---|
| WT | 1 | 18.21 | (21, 2) | (21, 4) | (34, 5) | 5 | 5 | 3 | 15–17 | 20–22, 37–39 |
| 2 | 13.78 | (28, 2) | (10, 7) | (35, 12) | 4 | 5 | 4 | 25–29 | 2–5, 11–13, 31–33, 38–40 | |
| 3 | 13.43 | (17, 2) | (22, 1) | (30, 5) | 5 | 7 | 5 | 30–33, 37–40 | ||
| 4 | 12.56 | (17, 6) | (10, 16) | (27, 10) | 4 | 4 | 3 | 28–36 | ||
| 5 | 9.52 | (24, 3) | (66, 0) | (54, 0) | 6 | 9 | 3 | 17–23, 28–33 | ||
| 6 | 7.64 | (11, 4) | (69, 0) | (51, 1) | 3 | 9 | 2 | 19–22, 29–32, 36–37 | ||
| 7 | 7.18 | (31, 9) | (3, 28) | (15, 29) | 4 | 4 | 6 | 14–16, 24–29 | 3–6, 10–13 | |
| 8 | 6.87 | (6, 8) | (24, 3) | (29, 2) | 4 | 6 | 2 | 9–11 | 18–20, 33–35 | |
| 9 | 6.49 | (6, 10) | (17, 34) | (54, 3) | 5 | 7 | 3 | 21–27, 30–36 | ||
| 10 | 4.33 | (1, 9) | (68, 0) | (60, 9) | 3 | 9 | 4 | 17–21, 30–36, 39–40 | ||
| S8C | 1 | 17.92 | (14, 3) | (28, 3) | (35, 4) | 5 | 6 | 3 | 30–31, 35–36 | |
| 2 | 16.28 | (8, 11) | (51, 0) | (47, 3) | 4 | 9 | 4 | 18–22, 29–33 | ||
| 3 | 11.25 | (19, 3) | (8, 12) | (28, 7) | 4 | 3 | 3 | 3–6, 9–13 | ||
| 4 | 10.22 | (7, 4) | (66, 1) | (51, 2) | 3 | 9 | 3 | 3–5, 17–21, 30–34 | ||
| 5 | 8.42 | (17, 1) | (61, 0) | (40, 2) | 2 | 9 | 4 | 19–21, 28–30 | ||
| 6 | 8.23 | (6, 8) | (73, 0) | (72, 0) | 2 | 10 | 5 | 16–20, 31–36, 39–40 | ||
| 7 | 8.06 | (15, 1) | (33, 2) | (39, 6) | 4 | 6 | 2 | 19–21, 30–33, 38–40 | ||
| 8 | 7.63 | (13, 10) | (4, 19) | (19, 5) | 5 | 5 | 3 | 7–9, 14–16 | ||
| 9 | 7.25 | (30, 6) | (1, 36) | (20, 22) | 5 | 5 | 5 | 15–19 | 4–5, 11–12 | |
| 10 | 4.75 | (4, 10) | (72, 0) | (76, 0) | 3 | 10 | 6 | 9–11 | 16–20, 31–36, 39–40 |
a
Shown are the state population P (in %), the population of β-strand and helix (β, α)a,b,c spanning the Nter (a), CHC (b), and Cter (c) regions, the average Q value of intramolecular contacts between Nter–CHC (N1), Cter–CHC (N2), Nter–Cter (N3), and the positions of the residues forming helical (Resa) and β (Resb) segments. Using two independent time intervals, the mean error bar of the populations for both species is ±2.5%.