Table 1.

Structural statistics for ensemble of PTN structures.

No. of NOE-based distance constraints
Total	749
Intraresidue (i = j)	263
Sequential (|i – j| = 1)	295
Medium-range (1 < |i – j| < 5)	44
Long-range	147
NOE constraints per restrained residue	5.9
No. of dihedral angle constraints	125
No of H-N RDC used
NTD	28
CTD	31
Total no. of structures computed	100
No. of structures used	10
Residual constraint violationsa
No. of distance violations per structure
0.1–0.5 Å	29.6
>0.5 Å	0.3
No. of dihedral angle violations per structure
1–10°	4.8
>10°	0.1
No. of RDC violations per structure, > 0.5 Hz	0
Experimental vs. Calculated RDC Correlation R	0.99
RMSD
backbone atoms
NTDb	0.6 Å
CTDc	0.7 Å
heavy atoms
NTDb	1.2 Å
CTDc	1.6 Å
Ramachandran plot summary from Procheckd (%)
Most favored regions	91.9
Additionally allowed regions	8.1
Generously allowed regions	0.0
Disallowed regions	0.0

^a Calculated for all constraints for the given residues, using sum over r⁻⁶.

^b Residues with sum of phi and psi order parameters [61] > 1.8. Ordered residue are residues 17 to 23, 33 to 40, 46 to 53.

^c Residues with sum of phi and psi order parameters [61] > 1.8. Ordered residue are residues 66 to 72, 82 to 92, 102 to 109.

^d Residues selected on basis of dihedral angle order parameter [61], with sum of phi and psi order parameters $\ge$ 1.8. Selected residue ranges are the same as the ordered residue ranges.