TABLE 1.
NMR distance and dihedral constraints | |
Distance constraints | |
Total NOE | 3090 |
Intra-residue | 772 |
Inter-residue | |
Sequential (|i − j| = 1) | 761 |
Medium range (|i − j| ≤ 4) | 950 |
Long range (|i − j| ≥ 5) | 607 |
Total dihedral angle restraints (used for the program Cyana) | 172 |
φ | 86 |
ψ | 86 |
Structure statistics | |
Violations (mean and S.D.) | |
Distance constraints (Å) | 0.009 ± 0.0003 |
Maximum distance constraint violation (Å) | 0.29 |
Dihedral angle constraints (°) | |
Maximum dihedral angle violation (°) | |
Deviations from idealized geometry | |
Bond lengths (Å) | 0.0104 ± 0.0001 |
Bond angles | 2.1999 ± 0.0170° |
Average pairwise r.m.s.d. (Å)a | |
Backbone | 0.472 (0.346) |
Heavy | 0.819 (0.762) |
a Pairwise r.m.s.d. was calculated among 15 refined structures for residues 7–91 (112–147).