Statistics of NMR structures
| Criteria | ctNsa2-C | ctNsa2-N |
| NOE-derived distance constraints | ||
| Sequential [(i − j) = 1] | 766 | |
| Medium Range [1 < (i − j) ≤ 5] | 176 | |
| Long Range [(i − j) > 5] | 400 | |
| Total | 1,342 | |
| Dihedral angle constraints | ||
| ϕ | 53 | |
| ψ | 56 | |
| H-bonding constraints | 28 | |
| Number of constraints per residue | 15.7 | |
| Number of long-range constraints per residue | 4.3 | |
| Average RMSD to the mean CYANA coordinates [Å] | ||
| All heavy atoms | 1.3 | |
| Backbone heavy atom (178-204, 215-224, 235-261) | 0.80 | |
| PROCHECK Z-scores (ϕ and ψ/all dihedral angles) | −1.41/−1.42 | |
| MOLPROBITY mean score/clash score | 11.08/2.20 | |
| Ramachandran plot summary for ordered residues [%] | ||
| Most favored regions | 98.7 | |
| Additionally allowed regions | 1.3 | |
| Disallowed regions | 0.0 | |
| Restraint violations | ||
| CYANA target function [Å] | 0.27 | |
| Average number of distance violations per CYANA conformer [Å] > 0.5 | 0 | |
| Average number of dihedral-angle violations per CYANA conformer [degrees] | 0 | |
| Average number of Van der Waal violations per CYANA conformer [Å] > 0.5 | 0 | |
| CS-Rosetta input | ||
| 13Cα shifts | 77 | |
| 13Cβ shifts | 73 | |
| 13C’ shifts | 68 | |
| 15N shifts | 69 | |
| 1HN shifts | 69 | |
| 1Hα shifts | 45 |
| Criteria | ctNsa2-C | ctNsa2-N |
| NOE-derived distance constraints | ||
| Sequential [(i − j) = 1] | 766 | |
| Medium Range [1 < (i − j) ≤ 5] | 176 | |
| Long Range [(i − j) > 5] | 400 | |
| Total | 1,342 | |
| Dihedral angle constraints | ||
| ϕ | 53 | |
| ψ | 56 | |
| H-bonding constraints | 28 | |
| Number of constraints per residue | 15.7 | |
| Number of long-range constraints per residue | 4.3 | |
| Average RMSD to the mean CYANA coordinates [Å] | ||
| All heavy atoms | 1.3 | |
| Backbone heavy atom (178-204, 215-224, 235-261) | 0.80 | |
| PROCHECK Z-scores (ϕ and ψ/all dihedral angles) | −1.41/−1.42 | |
| MOLPROBITY mean score/clash score | 11.08/2.20 | |
| Ramachandran plot summary for ordered residues [%] | ||
| Most favored regions | 98.7 | |
| Additionally allowed regions | 1.3 | |
| Disallowed regions | 0.0 | |
| Restraint violations | ||
| CYANA target function [Å] | 0.27 | |
| Average number of distance violations per CYANA conformer [Å] > 0.5 | 0 | |
| Average number of dihedral-angle violations per CYANA conformer [degrees] | 0 | |
| Average number of Van der Waal violations per CYANA conformer [Å] > 0.5 | 0 | |
| CS-Rosetta input | ||
| 13Cα shifts | 77 | |
| 13Cβ shifts | 73 | |
| 13C’ shifts | 68 | |
| 15N shifts | 69 | |
| 1HN shifts | 69 | |
| 1Hα shifts | 45 |