Table 3. Results of the multiple single-domain models.
| Crystal No. | PDB entry | Case No. | Prediction | Prediction residue/completeness (%) | Prediction RMSD (Å)/atom | MR model TFZ | MR model R work/R free | MR model residue/completeness (%) | MR model RMSD (Å)/atom | IPCAS model R work/R free | IPCAS model residue/completeness (%) | IPCAS model RMSD (Å)/atom | Best cycle of iteration |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 6poo | 16 | T1030-D1 | 154/56.41 | 3.07/154 | 13.3 | 0.47/0.48 | 273/100.0 | 3.24/273 | 0.23/0.28 | 271/99.27 | 0.79/271 | 15 |
| T1030-D2 | 119/43.59 | 2.24/119 | |||||||||||
| 2 | 6vr4 | 17 | T1031-D1 | 95/2.19 | 2.99/95 | 6.8 | 0.51/0.52 | 3316/76.55 | 49.82/3204 | 0.21/0.26 | 4051/93.51 | 2.43/4018 | 14 |
| T1033-D1 | 100/2.31 | 1.59/100 | |||||||||||
| T1035-D1 | 102/2.35 | 0.82/102 | |||||||||||
| T1037-D1 | 404/9.33 | 1.60/373 | |||||||||||
| T1039-D1 | 161/3.72 | 3.03/161 | |||||||||||
| T1040-D1 | 130/3.00 | 3.56/130 | |||||||||||
| T1041-D1 | 242/5.59 | 1.76/242 | |||||||||||
| T1042-D1 | 276/6.37 | 1.64/253 | |||||||||||
| T1043-D1 | 148/3.42 | 2.52/148 | |||||||||||
| 4 | 6ya2 | 18 | T1038-D1 | 114/20.69 | 2.45/114 | 20.5 | 0.41/0.42 | 570/103.45 | 10.73/551 | 0.24/0.29 | 532/96.55 | 1.36/524 | 9 |
| T1038-D2 | 76/13.79 | 1.92/76 | |||||||||||
| 5 | 6px4 | 19 | T1046s1-D1 | 72/16.86 | 1.28/72 | 34.4 | 0.45/0.46 | 424/99.3 | 0.94/424 | 0.22/0.25 | 425/99.53 | 0.11/423 | 7 |
| T1046s2-D1 | 140/32.79 | 0.76/140 | |||||||||||
| 7 | 7m7a | 20 | T1053-D1 | 405/19.06 | 0.66/359 | 35.1 | 0.40/0.40 | 2304/108.42 | 0.94/2123 | 0.27/0.28 | 2268/106.73 | 0.67/2098 | 3 |
| T1053-D2 | 171/8.05 | 1.25/170 | |||||||||||
| 10 | 7m5f | 21 | T1065s1-D1 | 119/54.84 | 0.95/119 | 43.5 | 0.46/0.47 | 217/100.0 | 0.83/217 | 0.20/0.22 | 216/99.54 | 0.24/212 | 3 |
| T1065s2-D1 | 98/45.16 | 0.63/98 |