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 precision
a,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
| |