TABLE 3.

Quality attributes of the CMB001 ensemble structure.

Summary of conformationally restricting experimental constraints
NOE-based distance constraints:
Total	425
intra-residue [i = j]	146
sequential [| i - j | = 1]	−149
medium range [1 < | i - j | < 5]	117
long range [| i − j | ≥ 5]	13
NOE constraints per restrained residue	13
Dihedral-angle constraints:	30
Total structures computed	60
Number of structures used	10
Upper distance violations/structure
0.1 − 0.2 Å	0.7
0.2 − 0.5 Å	2.0
>0.5 Å	4.4
RMSof distance violation/constraint	0.08144 Å
Maximum distance violation	2.01 Å
RMS of dihedral angle restraint/structure	1.6o
Maximum dihedral violation	70o
Structure Quality Factors - overall statistics:
MolProbity clashscore	12.11
Ramachandran Plot Statistics:
Most favored regions	83.1%
Allowed regions	15.5%
Disallowed regions	1.4%