Table 2. Improvement of the top 20 assignments during refinement of 1ubi, 1gb1, 1ghh, 1khm.
| Average no. correctly assigned atoms (%)
|
Consensus assigned atoms
|
Experimental data used for refinement
|
||||||
|---|---|---|---|---|---|---|---|---|
| rmsd, Å | Average score | Overall | Backbone | Overall | Correct | NOEs | RDCs | |
| Iubi Cluster center | 3.43 | 0.643 | 32 (5) | 27 (8) | 16 | 16 | — | 36 |
| First cycle | 2.07 | 0.656 | 67 (11) | 59 (17) | 33 | 28 | 5 | 56 |
| Second cycle | 1.55 | 0.668 | 127 (20) | 113 (33) | 114 | 102 | 34 | 195 |
| Third cycle | 1.16 | 0.701 | 168 (26) | 153 (45) | 173 | 164 | 70 | 323 |
| Fourth cycle | 0.76 | 0.782 | 253 (40) | 225 (66) | 221 | 205 | 130 | 403 |
| Fifth cycle | 0.60 | 0.801 | 272 (43) | 235 (69) | 333 | 282 | 249 | 395 |
| 1gbl Ciuster center | 4.46 | 0.593 | 25 (4) | 18 (6) | 20 | 20 | 0 | 40 |
| Eighth cycle | 1.36 | 0.763 | 116 (18) | 110 (39) | 77 | 65 | 10 | 117 |
| 1ghh Cluster center | 4.81 | 0.557 | 47 (5) | 40 (10) | 25 | 25 | 10 | 38 |
| Ninth cycle | 1.54 | 0.708 | 393 (42) | 283 (70) | 303 | 268 | 145 | 337 |
| 1khm Cluster center | 4.45 | 0.431 | 30 (3) | 22 (5) | 20 | 15 | 3 | 21 |
| Seventh cycle | 1.97 | 0.632 | 101 (10) | 92 (21) | 113 | 76 | 9 | 31 |