|
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 |
Briese and Willbold BMC Structural Biology 2003 3:3 doi:10.1186/1472-6807-3-3 |
|