Table 1.
Heterogeneity parameters obtained for the folded Ramachandran maps predicted by TALOS-N for the local test scenarios as well as for the broad heterogeneous peak. Shown are the two reference cases (H and E), five individual coordinates from the Ala HNCACB peak (“Points 1–5"), and the cumulative peak volume in the GGAGG sample (bold, see Fig. 4A). The underlining in the sec. structure column denotes the excess of helical content
| Scenario | Sec. struct | Circular variance V | Entropy S | Flatness F | R | ||||
|---|---|---|---|---|---|---|---|---|---|
| ϕ | ψ | ϕ | ψ | total | ΔStotal | ||||
| Conf. H | H | 0.07 | 0.13 | 1.54 | 1.68 | 3.17 | 0.00 | 0.886 | 25.89 |
| Conf. E | E | 0.1 | 0.14 | 1.68 | 1.76 | 3.35 | 0.18 | 0.894 | 27.38 |
| Point 1 | H | 0.15 | 0.32 | 1.82 | 2.10 | 3.68 | 0.51 | 0.904 | 7.53 |
| Point 2 | E | 0.18 | 0.40 | 2.04 | 2.17 | 4.08 | 0.91 | 0.943 | 7.31 |
| Point 3 | H | 0.26 | 0.41 | 2.04 | 2.33 | 3.99 | 0.82 | 0.923 | 5.80 |
| Point 4 | E | 0.16 | 0.5 | 1.88 | 2.37 | 3.99 | 0.82 | 0.935 | 3.55 |
| Point 5 | H + E | 0.18 | 0.68 | 1.96 | 2.47 | 4.24 | 1.07 | 0.949 | 1.99 |
| Whole sample | H + E | 0.22 | 0.78 | 2.07 | 2.56 | 4.46 | 1.30 | 0.955 | 1.53 |