Table 1. Experimental restraints and structural statistics.
Distance restraints | |
Unambiguous | 287 |
Intraresidue | 131 |
Sequential | 57 |
Medium range | 99 |
Hydrogen bond restraints* | 24 |
Dihedral angle restraints | 58 |
Ideal geometry rmsd | |
Bonds, Å | 0.012 |
Angles, ° | 6.6 |
Interresidue distance restraints violations | |
Violations > 0.2 Å | 12 |
Maximum violation, Å | 0.56 |
rmsd to average structure, Å | |
Backbone (residues 8-29) | 0.158 |
Heavy atoms (residues 8-29) | 0.415 |
Ramachandran plot statistics, % | |
Most favored regions | 78.1 |
Additionally allowed regions | 21.6 |
Generously allowed regions | 0.3 |
Disallowed regions | 0.0 |
Two restraints per bond, derived from the temperature dependence of amide chemical shifts (Fig. 3a). rmsd, rms deviation.