Table 1 Constraints and structural statistics for the resulting 25 NMR structures of Lck(1–120)
Number of experimental restraints: | |
|---|---|
total number of assigned NOEs | 1817 |
intraresidual (|i-j| = 0) | 635 |
interresidue sequential (|i-j| = 1) | 357 |
interresidue medium range (1 < |i-j| 5) | 215 |
long range (|i-j| > 5) | 610 |
X-PLOR energies (kcal/mol) | |
total | 234.7 ± 1.13 |
bond | 17.34 ± 0.27 |
angle | 88.15 ± 0.79 |
impropers | 10.91 ± 0.53 |
Van-der-Waals | 56.01 ± 0.92 |
NOE | 62.26 ± 0.88 |
RMS deviations to the mean structure (Å) | |
backbone heavy atoms | 0.16 ± 0.04 |
all heavy atoms | 0.67 ± 0.09 |
RMS deviations to experimental constraints and idealized geometry | |
NOE (Å) | 0.0212 ± 0.0001 |
bond (Å) | 0.0031 ± 0 |
angle (Å) | 0.4183 ± 0.0019 |
impropers (°) | 0.2721 ± 0.0066 |
Φ, Ψ angles consistent with Ramachandran plot (%) | |
most favored regions | 70.9 |
allowed regions | 100 |
generously allowed regions | 100 |