TABLE 3.
Original and calculated values of the model parameters after analysis of synthetic FRET data by means of a simulation-based fitting approach
| Parameter | Original value in synthetic data simulation | Value found after analysis with no noise added to synthetic data | Value found after analysis with additional noise in synthetic data |
|---|---|---|---|
| I-shape protein (ideal α-helix between positions 12 to 26) | |||
| L | 0.2 | 0.20 ± 0.01 | 0.19 ± 0.02 |
| nk | <12 | <12 | <12 |
| ϕ | 0° | 0° | 0° |
| ω | 0° | 0° | 0° |
| ξ | 0° | 0° | 0° |
| L-shape protein (11) | |||
| L | 0.2 | 0.21 ± 0.02 | 0.19 ± 0.04 |
| nk | 20 | 20 ± 1 | 20 ± 1 |
| ϕ | 110° | 107 ± 9° | 104 ± 14° |
| ω | 40° | 48 ± 12° | 53 ± 21° |
| ξ | –110° | –115 ± 17° | –120 ± 37° |