| Project Name | CHEM361HET19,3 |
| Project Name | CHEM361HET19,3 |
| Cluster # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| Cluster density | 121.6 | 106.3 | 78.6 | 77.5 | 55.2 | 55.1 | 54.0 | 50.6 | 44.0 | 41.5 | 39.7 | 26.6 |
| Cluster size | 308 | 257 | 212 | 159 | 137 | 177 | 177 | 128 | 120 | 121 | 135 | 69 |
| Average cluster RMSD | 2.5 | 2.4 | 2.7 | 2.1 | 2.5 | 3.2 | 3.3 | 2.5 | 2.7 | 2.9 | 3.4 | 2.6 |
| # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| RMSD | 3.20 | 4.07 | 3.87 | 3.34 | 3.68 | 3.88 | 5.34 | 4.38 | 5.38 | 5.53 | 4.98 | 6.58 |
| GDT_TS | 0.66 | 0.60 | 0.65 | 0.64 | 0.61 | 0.63 | 0.58 | 0.64 | 0.59 | 0.61 | 0.61 | 0.57 |
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 | 3.22 | 2.02 | 2.74 | 2.24 | 2.11 | 4.31 | 3.59 | 3.94 | 4.25 | 3.60 | 5.06 |
| 2 | 3.22 | 0.00 | 2.83 | 1.66 | 2.83 | 4.30 | 3.23 | 3.06 | 5.92 | 5.51 | 5.14 | 6.28 |
| 3 | 2.02 | 2.83 | 0.00 | 2.47 | 2.80 | 2.46 | 3.28 | 2.94 | 3.97 | 3.80 | 3.28 | 4.72 |
| 4 | 2.74 | 1.66 | 2.47 | 0.00 | 2.69 | 3.89 | 3.76 | 3.03 | 5.59 | 5.60 | 5.07 | 6.46 |
| 5 | 2.24 | 2.83 | 2.80 | 2.69 | 0.00 | 3.58 | 3.62 | 4.04 | 5.27 | 5.26 | 4.48 | 5.49 |
| 6 | 2.11 | 4.30 | 2.46 | 3.89 | 3.58 | 0.00 | 4.43 | 3.70 | 2.97 | 3.20 | 2.56 | 4.02 |
| 7 | 4.31 | 3.23 | 3.28 | 3.76 | 3.62 | 4.43 | 0.00 | 4.86 | 5.94 | 4.98 | 4.50 | 5.08 |
| 8 | 3.59 | 3.06 | 2.94 | 3.03 | 4.04 | 3.70 | 4.86 | 0.00 | 4.49 | 4.11 | 4.06 | 5.81 |
| 9 | 3.94 | 5.92 | 3.97 | 5.59 | 5.27 | 2.97 | 5.94 | 4.49 | 0.00 | 2.75 | 2.51 | 3.22 |
| 10 | 4.25 | 5.51 | 3.80 | 5.60 | 5.26 | 3.20 | 4.98 | 4.11 | 2.75 | 0.00 | 1.60 | 3.36 |
| 11 | 3.60 | 5.14 | 3.28 | 5.07 | 4.48 | 2.56 | 4.50 | 4.06 | 2.51 | 1.60 | 0.00 | 3.01 |
| 12 | 5.06 | 6.28 | 4.72 | 6.46 | 5.49 | 4.02 | 5.08 | 5.81 | 3.22 | 3.36 | 3.01 | 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 | 0.69 | 0.79 | 0.70 | 0.80 | 0.93 | 0.63 | 0.67 | 0.83 | 0.81 | 0.83 | 0.77 |
| 2 | 0.69 | 1.00 | 0.82 | 0.93 | 0.70 | 0.72 | 0.75 | 0.90 | 0.68 | 0.68 | 0.65 | 0.66 |
| 3 | 0.79 | 0.82 | 1.00 | 0.81 | 0.73 | 0.83 | 0.80 | 0.79 | 0.72 | 0.74 | 0.74 | 0.69 |
| 4 | 0.70 | 0.93 | 0.81 | 1.00 | 0.71 | 0.71 | 0.71 | 0.88 | 0.65 | 0.63 | 0.64 | 0.62 |
| 5 | 0.80 | 0.70 | 0.73 | 0.71 | 1.00 | 0.80 | 0.64 | 0.70 | 0.68 | 0.69 | 0.76 | 0.68 |
| 6 | 0.93 | 0.72 | 0.83 | 0.71 | 0.80 | 1.00 | 0.65 | 0.73 | 0.83 | 0.84 | 0.86 | 0.78 |
| 7 | 0.63 | 0.75 | 0.80 | 0.71 | 0.64 | 0.65 | 1.00 | 0.73 | 0.62 | 0.69 | 0.64 | 0.60 |
| 8 | 0.67 | 0.90 | 0.79 | 0.88 | 0.70 | 0.73 | 0.73 | 1.00 | 0.68 | 0.69 | 0.66 | 0.67 |
| 9 | 0.83 | 0.68 | 0.72 | 0.65 | 0.68 | 0.83 | 0.62 | 0.68 | 1.00 | 0.74 | 0.79 | 0.82 |
| 10 | 0.81 | 0.68 | 0.74 | 0.63 | 0.69 | 0.84 | 0.69 | 0.69 | 0.74 | 1.00 | 0.89 | 0.69 |
| 11 | 0.83 | 0.65 | 0.74 | 0.64 | 0.76 | 0.86 | 0.64 | 0.66 | 0.79 | 0.89 | 1.00 | 0.72 |
| 12 | 0.77 | 0.66 | 0.69 | 0.62 | 0.68 | 0.78 | 0.60 | 0.67 | 0.82 | 0.69 | 0.72 | 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