| Project Name | CHEM361HET19,2 |
| Project Name | CHEM361HET19,2 |
| Cluster # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| Cluster density | 135.3 | 101.0 | 87.5 | 69.9 | 67.5 | 59.4 | 58.1 | 44.6 | 40.9 | 40.1 | 35.9 | 32.1 |
| Cluster size | 320 | 243 | 208 | 185 | 173 | 149 | 175 | 98 | 118 | 128 | 113 | 90 |
| Average cluster RMSD | 2.4 | 2.4 | 2.4 | 2.6 | 2.6 | 2.5 | 3.0 | 2.2 | 2.9 | 3.2 | 3.1 | 2.8 |
| # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| RMSD | 3.52 | 3.49 | 3.71 | 3.72 | 4.12 | 3.61 | 4.20 | 5.29 | 3.53 | 3.14 | 3.92 | 4.88 |
| GDT_TS | 0.67 | 0.64 | 0.62 | 0.60 | 0.65 | 0.63 | 0.59 | 0.69 | 0.75 | 0.69 | 0.69 | 0.61 |
The table contains RMSD and GDT_TS values (calculated on the Cα atoms) between the predicted models and the input structure. Note that GDT_TS metric is intended as a more accurate measurement than the more common RMSD.
Read more about the root-mean-square deviation (RMSD) measure
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.
| # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| 1 | 0.00 | 2.13 | 1.76 | 2.70 | 2.06 | 2.10 | 2.54 | 4.67 | 3.87 | 2.41 | 2.96 | 3.88 |
| 2 | 2.13 | 0.00 | 2.58 | 1.58 | 2.25 | 1.31 | 2.37 | 5.37 | 4.01 | 2.82 | 3.75 | 4.91 |
| 3 | 1.76 | 2.58 | 0.00 | 2.95 | 2.42 | 2.27 | 2.48 | 5.22 | 4.52 | 2.69 | 3.14 | 4.27 |
| 4 | 2.70 | 1.58 | 2.95 | 0.00 | 2.46 | 1.90 | 2.35 | 5.02 | 3.83 | 3.12 | 3.91 | 4.70 |
| 5 | 2.06 | 2.25 | 2.42 | 2.46 | 0.00 | 2.66 | 2.52 | 4.67 | 4.19 | 3.02 | 3.25 | 4.25 |
| 6 | 2.10 | 1.31 | 2.27 | 1.90 | 2.66 | 0.00 | 2.60 | 5.74 | 4.41 | 2.84 | 3.82 | 4.97 |
| 7 | 2.54 | 2.37 | 2.48 | 2.35 | 2.52 | 2.60 | 0.00 | 4.52 | 3.76 | 2.52 | 3.02 | 3.89 |
| 8 | 4.67 | 5.37 | 5.22 | 5.02 | 4.67 | 5.74 | 4.52 | 0.00 | 2.87 | 4.06 | 3.72 | 1.90 |
| 9 | 3.87 | 4.01 | 4.52 | 3.83 | 4.19 | 4.41 | 3.76 | 2.87 | 0.00 | 2.54 | 2.90 | 3.02 |
| 10 | 2.41 | 2.82 | 2.69 | 3.12 | 3.02 | 2.84 | 2.52 | 4.06 | 2.54 | 0.00 | 1.71 | 3.18 |
| 11 | 2.96 | 3.75 | 3.14 | 3.91 | 3.25 | 3.82 | 3.02 | 3.72 | 2.90 | 1.71 | 0.00 | 2.96 |
| 12 | 3.88 | 4.91 | 4.27 | 4.70 | 4.25 | 4.97 | 3.89 | 1.90 | 3.02 | 3.18 | 2.96 | 0.00 |
The table contains RMSD values (calculated on the Cα atoms) between the predicted models.
Read more about the root-mean-square deviation (RMSD) measure.
| # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| 1 | 1.00 | 0.85 | 0.79 | 0.81 | 0.84 | 0.83 | 0.72 | 0.82 | 0.78 | 0.80 | 0.74 | 0.81 |
| 2 | 0.85 | 1.00 | 0.76 | 0.95 | 0.87 | 0.92 | 0.85 | 0.78 | 0.76 | 0.82 | 0.72 | 0.80 |
| 3 | 0.79 | 0.76 | 1.00 | 0.78 | 0.83 | 0.78 | 0.83 | 0.75 | 0.69 | 0.78 | 0.74 | 0.78 |
| 4 | 0.81 | 0.95 | 0.78 | 1.00 | 0.88 | 0.92 | 0.83 | 0.73 | 0.72 | 0.78 | 0.74 | 0.77 |
| 5 | 0.84 | 0.87 | 0.83 | 0.88 | 1.00 | 0.85 | 0.83 | 0.81 | 0.71 | 0.80 | 0.73 | 0.80 |
| 6 | 0.83 | 0.92 | 0.78 | 0.92 | 0.85 | 1.00 | 0.82 | 0.73 | 0.78 | 0.86 | 0.80 | 0.80 |
| 7 | 0.72 | 0.85 | 0.83 | 0.83 | 0.83 | 0.82 | 1.00 | 0.68 | 0.67 | 0.74 | 0.69 | 0.73 |
| 8 | 0.82 | 0.78 | 0.75 | 0.73 | 0.81 | 0.73 | 0.68 | 1.00 | 0.74 | 0.78 | 0.77 | 0.88 |
| 9 | 0.78 | 0.76 | 0.69 | 0.72 | 0.71 | 0.78 | 0.67 | 0.74 | 1.00 | 0.88 | 0.85 | 0.72 |
| 10 | 0.80 | 0.82 | 0.78 | 0.78 | 0.80 | 0.86 | 0.74 | 0.78 | 0.88 | 1.00 | 0.89 | 0.79 |
| 11 | 0.74 | 0.72 | 0.74 | 0.74 | 0.73 | 0.80 | 0.69 | 0.77 | 0.85 | 0.89 | 1.00 | 0.75 |
| 12 | 0.81 | 0.80 | 0.78 | 0.77 | 0.80 | 0.80 | 0.73 | 0.88 | 0.72 | 0.79 | 0.75 | 1.00 |
The table contains GDT_TS values (calculated on the Cα atoms) between the predicted models.
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.
© Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw 2013