Structural statistics of the VWF C4 domain NMR ensemble
Experimental restraints | |
Total NOEs | 2478 (assigned 2255) |
Distance restraints | 1158 |
Short range (|i − j| ≤ 1) | 650 |
Medium range (|i − j| < 5) | 85 |
Long range (|i − j| > 5) | 423 |
Dihedral restraints (φ/ψ) | 144 |
Structural quality | |
Coordinate precision (Å, residues 2496-2503, 2513-2548) | |
Backbone (N, Cα, C′) | 0.46 ± 0.16 |
Heavy atoms | 0.77 ± 0.13 |
Coordinate precision (Å, residues 2562-2577) | |
Backbone (N, Cα, C′) | 0.39 ± 0.15 |
Heavy atoms | 1.10 ± 0.20 |
Restraint RMSD | |
Distance restraints, Å | 0.018 ± 0.001 |
Dihedral restraints, ° | 1.45 ± 0.24 |
Deviation from idealized geometry | |
Bond lengths, Å | 0.004 ± 0.0002 |
Bond angles, ° | 0.52 ± 0.02 |
Ramachandran analysis, % | |
Favored regions | 84.7 |
Allowed regions | 14.0 |
Generously allowed | 0.0 |
Disallowed | 1.3 |
Whatcheck analysis | |
First-generation packing | −3.061 |
Second-generation packing | −3.531 |
Ramachandran plot appearance | −3.266 |
χ−1/χ−2 rotamer normality | −2.452 |
Backbone conformation | −0.861 |
Experimental restraints | |
Total NOEs | 2478 (assigned 2255) |
Distance restraints | 1158 |
Short range (|i − j| ≤ 1) | 650 |
Medium range (|i − j| < 5) | 85 |
Long range (|i − j| > 5) | 423 |
Dihedral restraints (φ/ψ) | 144 |
Structural quality | |
Coordinate precision (Å, residues 2496-2503, 2513-2548) | |
Backbone (N, Cα, C′) | 0.46 ± 0.16 |
Heavy atoms | 0.77 ± 0.13 |
Coordinate precision (Å, residues 2562-2577) | |
Backbone (N, Cα, C′) | 0.39 ± 0.15 |
Heavy atoms | 1.10 ± 0.20 |
Restraint RMSD | |
Distance restraints, Å | 0.018 ± 0.001 |
Dihedral restraints, ° | 1.45 ± 0.24 |
Deviation from idealized geometry | |
Bond lengths, Å | 0.004 ± 0.0002 |
Bond angles, ° | 0.52 ± 0.02 |
Ramachandran analysis, % | |
Favored regions | 84.7 |
Allowed regions | 14.0 |
Generously allowed | 0.0 |
Disallowed | 1.3 |
Whatcheck analysis | |
First-generation packing | −3.061 |
Second-generation packing | −3.531 |
Ramachandran plot appearance | −3.266 |
χ−1/χ−2 rotamer normality | −2.452 |
Backbone conformation | −0.861 |