TABLE 1.
Structural statistics for the 20 structures of RimM.1-85
| Parameter | Value |
|---|---|
| No. of NOE distance constraints | |
| Total exptl restraints | 1,550 |
| Intraresidue | 404 |
| Sequential (|i − j| = 1) | 385 |
| Medium range (1 < |i − j| < 5) | 189 |
| Long range (|i − j| ≥ 5) | 572 |
| No. of dihedral angle restraintsa | |
| φ angles | 48 |
| ψ angles | 52 |
| χ angles | 49 |
| No. of hydrogen bond restraints | 22 |
| RMSDs for residues 3-77, Å | |
| Backbone RMSD to mean | 0.18 ± 0.04 |
| Heavy atom RMSD to mean | 0.60 ± 0.04 |
| Avg of CYANA target function value (Å2) | 0.02 |
| No. of restraint violations | |
| Distance restraint (>0.10 Å) | 0 |
| van der Waals (>0.20 Å) | 0 |
| Dihedral angle restraint (>5.0°) | 0 |
| Ramachandran plotb | |
| Residues in most-favored regions (%) | 73.4 |
| Residues in additional allowed regions (%) | 26.6 |
| Residues in generously allowed regions (%) | 0.0 |
| Residues in disallowed regions (%) | 0.0 |
a
φ and ψ angles are derived from the program TALOS, based on the 13Cα, 13Cβ, 13CO, 1Hα, and 15N chemical shifts. The χ angles contain 34 χ1 and 15 χ2 angle restraints.
b
From PROCHECK-NMR for 20 models. All residues in RimM.1-85 were used.