Table 1. Structural statistics for the ensembles of 20 DLP-2 and 20 DLP-4 structures.
1 kcal=4.184 kJ. EvdW, van der Waals energy.
| Quantity | DLP-2 | DLP-4 |
|---|---|---|
| Distance restraints | ||
| Intra-residue (i−j=0) | 242 | 197 |
| Sequential (|i−j|=1) | 190 | 116 |
| Medium-range (|i−j|≤5) | 95 | 36 |
| Long-range (|i−j|>5) | 172 | 83 |
| Hydrogen-bonds | 16 | 12 |
| Total | 715 | 444 |
| Dihedral angle restraints | ||
| Φ | 24 | 7 |
| Mean energies (kcal·mol−1) | ||
| ENOE | 6.79±0.63 | 7.97±1.48 |
| Econstraineddihedralangle | 0.04±0.02 | 0.01±0.01 |
| EvdW | 8.34±0.98 | 7.94±1.77 |
| Ebond | 2.14±0.12 | 1.58±0.43 |
| Eimproper | 0.89±0.13 | 0.81±0.16 |
| Eangle | 20.71±0.45 | 19.91±0.94 |
| Etotal | 38.91±1.14 | 38.22±2.25 |
| Atomic R.M.S.D. with the mean (Å) | ||
| Backbone atoms (1–42) | 1.48±0.30 | 1.71±0.46 |
| Heavy atoms (1–42) | 2.26±0.26 | 2.39±0.43 |
| Backbone atoms (7–42) | 0.38±0.09 | 0.67±0.22 |
| Heavy atoms (7–42) | 1.08±0.14 | 1.33±0.35 |