Table 4. Results of Structure Prediction with Multiple Templates Performed by RosettaCM Algorithma.
structure | templates | alignment method | Cα-RMSD | GDT-HA |
---|---|---|---|---|
1m0l, best RosettaCM | 3wqj | MP-T | 1.615 | 71.15 |
1m0l, lowest RMSD | 3wqj, I-TASSER | MUSTER | 1.108 | 77.31 |
1m0l, highest GDT-HA | 3wqj, Medeller | AlignMe | 2.865 | 85.46 |
1m0l, 3 templates | 4qi1, 3wqj, 1uaz | ClustalO | 1.149 | 73.78 |
1m0l, 3 templates | 4pxk, 4fbz, 4jr8 | ClustalO | 1.508 | 62.43 |
1m0l, 6 templates | BR cluster | ClustalO | 1.249 | 70.59 |
1m0l, 9 templates | seq. id. ≥ 29% | ClustalO | 1.375 | 69.60 |
1m0l, 3 templates | 4qi1, 3wqj, 1uaz | PralineTM | 1.950 | 67.50 |
1m0l, 3 templates | 4pxk, 4fbz, 4jr8 | PralineTM | 1.780 | 68.50 |
1m0l, 6 templates | BR cluster | PralineTM | 1.574 | 65.53 |
1m0l, 9 templates | seq. id. ≥ 29% | PralineTM | 1.348 | 73.24 |
3wqj, best RosettaCM | 1uaz | MP-T | 0.979 | 73.61 |
3wqj, lowest RMSD | 1uaz, Medeller | MP-T | 0.680 | 86.75 |
3wqj, highest GDT-HA | 1uaz, Medeller | MP-T | 0.680 | 86.75 |
3wqj, 3 templates | 1uaz, 1m0l, 4qi1 | ClustalO | 1.235 | 68.80 |
3wqj, 6 templates | bacteriorhodopsin cluster | ClustalO | 1.924 | 64.32 |
3wqj, 3 templates | 1uaz, 1m0l, 4qi1 | PralineTM | 1.504 | 60.79 |
3wqj, 6 templates | BR cluster | PralineTM | 2.530 | 65.06 |
3ug9, best RosettaCM | 1m0l | MP-T | 4.216 | 35.96 |
3ug9, lowest RMSD | 1m0l, RosettaCM | MP-T | 4.280 | 35.96 |
3ug9, highest GDT-HA | 1m0l, Medeller | AlignMe | 4.731 | 42.23 |
3ug9, 5 templates | seq. id. ≥ 20% | ClustalO | 13.514 | 31.28 |
3ug9, 5 templates | seq. id. ≥ 20% | PralineTM | 5.357 | 38.19 |
1e12, best RosettaCM | 3a7k | AlignMe | 1.466 | 65.48 |
1e12, lowest RMSD | 3a7k, Medeller | AlignMe | 1.097 | 83.89 |
1e12, highest GDT-HA | 3a7k, Medeller | MP-T | 1.117 | 84.10 |
1e12, 6 templates | seq. id. ≥ 30% | ClustalO | 2.260 | 61.40 |
1e12, 6 templates | seq. id. ≥ 30% | PralineTM | 2.664 | 59.21 |
The results are compared with the best models for the same proteins produced by the RosettaCM algorithm based on the single template and with models with lowest Cα-RMSD values and GDT-HA values obtained in the current work.