Table 1.
Experimental restraints and structural statistics for final ensemble of 10 TgADF Structures
| Distance Restraint List | ||
| classes | TgADF | |
| sequential | 440 | |
| intra-residual | 444 | |
| medium-range | 275 | |
| long-range | 359 | |
| Hydrogen bonds | 47 | |
| Dihedral angle restrains (φ and φ) | 192 | |
| RMSD values (Å) | Ordered residuesa (Å) | |
| All backbone atoms | 0.9 | |
| All heavy atoms | 1.3 | |
| Ramachandran plot statisticsa | ||
| Most favored region (%) | 93.3 | |
| Allowed region (%) | 6.6 | |
| Additionally allowed region (%) | 0.1 | |
| Disallowed region (%) | 0.0 | |
| CING ROG analysisb | ||
| Red | 1 | 1% |
| Orange | 15 | 19% |
| Green | 65 | 80% |
| WHAT IF Summaryb | ||
| Structure Z-scores | ||
| 1st generation packing quality | −0.527 +/− 1.431 | |
| 2nd generation packing quality | 5.720 +/− 2.704 | |
| Ramachandran plot appearance | −2.395 +/− 0.385 | |
| chi-1/chi-2 rotamer normality | −3.131 +/− 0.713 | |
| Backbone conformation | 0.368 +/− 1.639 | |
| RMS Z-scores | ||
| Bond lengths | 1.039 +/− 0.002 | |
| Bond angles | 0.290 +/− 0.009 | |
| Omega angle restraints | 0.893 +/− 0.097 | |
| Side chain planarity | 0.452 +/− 0.085 | |
| Improper dihedral distribution | 0.457 +/− 0.018 | |
| Inside/Outside distribution | 1.134 +/− 0.032 | |
a
region, 2–51, 57–98, 100–108, 112–117
b
1–4, 7, 8, 10–13, 15–25, 27, 28, 30, 32, 33, 35–40, 42, 43, 46–50, 53–55, 58–59, 61, 62, 64–67, 69–75, 77–79, 83–89, 93–97, 104–108, 111–113, 118