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. 2018 Jul 9;3(7):7555–7566. doi: 10.1021/acsomega.8b00721

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
a

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.