Table 1.
NMR structural constraints and structure statistics for ComGCs
None of the structures exhibit distance violations of >0.3 Å or dihedral angle violations >4°.
| Restraints | |
| NOE-based restraints | |
| Intraresidual (|i − j| = 0) | 177 |
| Sequential (|i − j| = 1) | 127 |
| Medium range (2 ≤|i − j| ≤ 4) | 63 |
| Long (|i − j| > 5) | 19 |
| Total | 386 |
| Hydrogen bond restraints | 18 |
| Dihedral angle restraints | 106 |
| Residual dipolar couplings | 41 |
| Magnitude (Da) | −15 |
| Rhombicity (R) | 0.362 |
| Restraints statistics | |
| Mean r.m.s.d from experimental restraints | |
| NOE-based distances, Å | 0.022 ± 0.007 |
| Dihedrals, °° | 0.415 ± 0.009 |
| RDC, Q-factor | 0.078 ± 0.006 |
| Structure statisticsa | |
| Most favored regions | 98.1% |
| Allowed regions | 1.9% |
| Generously allowed regions | 0.0% |
| Disallowed regions | 0.0% |
| Coordinate precision r.m.s.d, Åb | |
| Backbone heavy atoms (N, Cα, and C′) | 3.48 ± 0.76 |
| Heavy atoms | 4.40 ± 0.86 |
| H1s only (16–30) | |
| Backbone heavy atoms (N, Cα, and C′) | 0.93 ± 0.32 |
| Heavy atoms | 1.94 ± 0.42 |
| H2 and H3 (36–60) | |
| Backbone heavy atoms (N, Cα, and C′) | 2.41 ± 1.16 |
| Heavy atoms | 3.49 ± 1.40 |
a PROCHECK, structured regions 16–30, 36–42, and 47–60 are shown.
b Residues 16–30, 36–42, and 47–60 are shown. Large root mean square deviations can be assigned to the flexible hinge between H1 and H2.