Table 1.
Summary of the structural restraints and statistical analysis of the calculated structures of 1 mM DD K in 400 mM DPCd38/H2O and 5% D2O and of 4 mM DD K in TFE/water 50:50 v/v
| NOE restrains | DPC sample | TFE sample |
|---|---|---|
| Total number of distance restrains | 270 | 294 |
| Number of intraresidue restrains | 169 | 178 |
| Number of sequential restrains (i, i + 1) | 70 | 78 |
| Number of medium range restrains (i, i + j)j=2,3,4 | 31 | 38 |
| RMSD (Å)—all residues∗ | ||
| Backbone | 2.32 | 3.45 |
| Backbone and heavy atoms | 3.02 | 4.53 |
| RMSD (Å)—helical segment∗† | ||
| Backbone | 1.31 | 1.37 |
| Backbone and heavy atoms | 1.83 | 1.88 |
| Ramachandran plot analysis‡ | ||
| Residues in most favored regions | 75.2 | 72.4 |
| Residues in additional allowed regions | 22.1 | 23.3 |
| Residues in generously allowed regions | 2.1 | 4.3 |
| Residues in disallowed regions | 0.7 | 0.0 |
∗
Data from MOLMOL using the 20 lowest energy structures.
†
From K-7 to V-33.
‡
Data form PROCHECK_NMR.