Table 3. Summary of the Obtained Values Related Friction Coefficients for the Helical Peptides Studied Herea.
| system | D(10–12 m2/s) | γL(10–9 kg/s) | Δx (nm) | γK1(10–9 kg/s) | γK2(10–9 kg/s) |
|---|---|---|---|---|---|
| ALA5 | 75.0 ± 25.0 | 0.06 ± 0.02 | 0.5223 ± 0.0039 | 1.08 ± 0.02 | 1.6 |
| ALA8 | 13.6 ± 2.1 | 0.30 ± 0.05 | 0.6423 ± 0.0069 | 2.13 ± 0.05 | 4.7 |
| ALA15 | 6.3 ± 0.3 | 0.66 ± 0.04 | 0.0158 ± 0.0164 | 7,852 ± 16,301 | 27.9 |
| ALA21 | 1.6 ± 0.10 | 2.54 ± 0.04 | –0.5284 ± 0.1374 | 11.3 ± 5.9 | 29.9 |
| (AAQAA)3 | 14.6 ± 0.9 | 0.28 ± 0.03 | –0.0153 ± 0.0178 | 10,101 ± 23,503 | 39.9 |
| KR1 | 4.0 ± 1.6 | 1.03 ± 0.41 | 0.329 ± 0.021 | 45.2 ± 5.7 | 83.8 |
a
Data averaged for “h” and “e” simulations. Diffusion constants, D, were calculated for local HB diffusion of HB via eq 8. Using such values of diffusion constants, local values of friction, γL, have been calculated using eq 7. Finally, global values of friction were calculated via eq 9 and using associated values of Δx obtained from the data in Figure 6; see text.