Table 2. Results of the coordinate analysis depending on different rotational tolerance ranges (accumulative).
The results show the number of structures with TNCS and the percentage of the total database, the number of structures with two molecules related by TNCS and the number with more than two molecules related by TNCS.
| Rotational tolerance | TNCS | TNCS order = 2 | TNCS order > 2 |
|---|---|---|---|
| 0–2° | 2523 (3.13%) | 2375 | 148 |
| 0–5° | 4818 (6.00%) | 4332 | 486 |
| 0–10° | 7503 (9.30%) | 6660 | 843 |
| 0–15° | 9549 (11.86%) | 8396 | 1153 |
| 0–20° | 11230 (13.95%) | 9822 | 1408 |