Table 1.
Solution structure statistics
| Experimentally derived restraints | ||
|---|---|---|
| distance restraints |
|
|
| |
NOE |
1686 |
| |
intraresidual |
527 |
| |
sequential |
343 |
| |
medium range |
245 |
| |
long range |
505 |
| |
ambiguous |
66 |
| |
hydrogen bonds |
62 |
| dihedral restraints |
|
225 |
|
Restraint violation |
|
|
| average distance restraint violation (Å) |
0.0035 +/− 0.0008 |
|
| maximum distance restraint violation (Å) |
< 0.1 |
|
| average dihedral restraint violation (°) |
0.10 +/− 0.04 |
|
| maximum dihedral restraint violation (°) |
2.4 |
|
|
deviation from ideal geometry |
|
|
| bond length (Å) |
0.00064 +/− 0.00005 |
|
| bond angle (Å) |
0.12 +/− 0.006 |
|
|
Coordinate precisiona,b |
|
|
| backbone heavy atoms (Rmsd) (Å) (all / defined secondary structure ) |
1.05 / 0.46 |
|
| all heavy atoms (Rmsd) (Å) |
1.58 / 0.92 |
|
| Ramachandran plot statisticsc (%) | 89.7/9.6/0.3/0.4 |
a The precision of the coordinates is defined as the average atomic root mean square difference between the accepted simulated annealing structures and the corresponding mean structure calculated for the given sequence regions.
b calculated for residues 593–747 (all) or 594–604, 612–621, 629–637, 642–659, 664–668, 671–686, 700–712, 717–720, 731–747 (defined secondary structure).
c Ramachandran plot statistics are determined by PROCHECK and noted by most favored/additionally allowed/generously allowed/disallowed.