| Project Name | CHEM361HET19,1 |
| Project Name | CHEM361HET19,1 |
| Cluster # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| Cluster density | 168.9 | 160.0 | 158.1 | 153.3 | 151.1 | 146.3 | 144.3 | 144.2 | 106.8 | 91.5 | 49.6 | 46.0 |
| Cluster size | 255 | 178 | 200 | 220 | 208 | 192 | 163 | 204 | 165 | 92 | 59 | 64 |
| Average cluster RMSD | 1.5 | 1.1 | 1.3 | 1.4 | 1.4 | 1.3 | 1.1 | 1.4 | 1.5 | 1.0 | 1.2 | 1.4 |
| # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| RMSD | 2.68 | 4.56 | 2.38 | 2.17 | 3.38 | 2.59 | 2.84 | 2.67 | 2.86 | 5.09 | 3.70 | 2.31 |
| GDT_TS | 0.67 | 0.58 | 0.72 | 0.74 | 0.61 | 0.76 | 0.65 | 0.75 | 0.65 | 0.56 | 0.59 | 0.77 |
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 | 3.69 | 2.12 | 1.78 | 2.88 | 2.27 | 1.49 | 2.27 | 1.34 | 4.37 | 2.75 | 2.09 |
| 2 | 3.69 | 0.00 | 3.35 | 4.42 | 4.44 | 2.83 | 3.21 | 2.64 | 4.15 | 2.36 | 4.61 | 3.72 |
| 3 | 2.12 | 3.35 | 0.00 | 2.24 | 2.84 | 1.32 | 2.06 | 1.86 | 2.17 | 3.67 | 3.60 | 1.23 |
| 4 | 1.78 | 4.42 | 2.24 | 0.00 | 3.19 | 2.54 | 2.39 | 3.04 | 1.61 | 4.68 | 3.64 | 2.27 |
| 5 | 2.88 | 4.44 | 2.84 | 3.19 | 0.00 | 2.72 | 3.61 | 2.95 | 3.38 | 5.13 | 1.74 | 2.51 |
| 6 | 2.27 | 2.83 | 1.32 | 2.54 | 2.72 | 0.00 | 2.09 | 1.41 | 2.43 | 3.60 | 3.53 | 1.72 |
| 7 | 1.49 | 3.21 | 2.06 | 2.39 | 3.61 | 2.09 | 0.00 | 2.14 | 1.70 | 3.87 | 3.61 | 2.29 |
| 8 | 2.27 | 2.64 | 1.86 | 3.04 | 2.95 | 1.41 | 2.14 | 0.00 | 2.94 | 3.70 | 3.12 | 2.15 |
| 9 | 1.34 | 4.15 | 2.17 | 1.61 | 3.38 | 2.43 | 1.70 | 2.94 | 0.00 | 4.54 | 3.59 | 2.20 |
| 10 | 4.37 | 2.36 | 3.67 | 4.68 | 5.13 | 3.60 | 3.87 | 3.70 | 4.54 | 0.00 | 4.91 | 4.28 |
| 11 | 2.75 | 4.61 | 3.60 | 3.64 | 1.74 | 3.53 | 3.61 | 3.12 | 3.59 | 4.91 | 0.00 | 3.19 |
| 12 | 2.09 | 3.72 | 1.23 | 2.27 | 2.51 | 1.72 | 2.29 | 2.15 | 2.20 | 4.28 | 3.19 | 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 | 0.62 | 0.80 | 0.81 | 0.76 | 0.78 | 0.81 | 0.74 | 0.88 | 0.60 | 0.71 | 0.80 |
| 2 | 0.62 | 1.00 | 0.72 | 0.56 | 0.58 | 0.75 | 0.67 | 0.71 | 0.61 | 0.80 | 0.52 | 0.65 |
| 3 | 0.80 | 0.72 | 1.00 | 0.72 | 0.77 | 0.88 | 0.77 | 0.79 | 0.75 | 0.61 | 0.71 | 0.94 |
| 4 | 0.81 | 0.56 | 0.72 | 1.00 | 0.69 | 0.71 | 0.71 | 0.71 | 0.82 | 0.53 | 0.63 | 0.76 |
| 5 | 0.76 | 0.58 | 0.77 | 0.69 | 1.00 | 0.70 | 0.64 | 0.68 | 0.69 | 0.54 | 0.87 | 0.81 |
| 6 | 0.78 | 0.75 | 0.88 | 0.71 | 0.70 | 1.00 | 0.83 | 0.87 | 0.74 | 0.62 | 0.63 | 0.84 |
| 7 | 0.81 | 0.67 | 0.77 | 0.71 | 0.64 | 0.83 | 1.00 | 0.75 | 0.81 | 0.67 | 0.61 | 0.74 |
| 8 | 0.74 | 0.71 | 0.79 | 0.71 | 0.68 | 0.87 | 0.75 | 1.00 | 0.67 | 0.62 | 0.67 | 0.77 |
| 9 | 0.88 | 0.61 | 0.75 | 0.82 | 0.69 | 0.74 | 0.81 | 0.67 | 1.00 | 0.58 | 0.63 | 0.76 |
| 10 | 0.60 | 0.80 | 0.61 | 0.53 | 0.54 | 0.62 | 0.67 | 0.62 | 0.58 | 1.00 | 0.51 | 0.59 |
| 11 | 0.71 | 0.52 | 0.71 | 0.63 | 0.87 | 0.63 | 0.61 | 0.67 | 0.63 | 0.51 | 1.00 | 0.75 |
| 12 | 0.80 | 0.65 | 0.94 | 0.76 | 0.81 | 0.84 | 0.74 | 0.77 | 0.76 | 0.59 | 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