| Project Name | CHEM361IndividualProjectCJL |
| Project Name | CHEM361IndividualProjectCJL |
| Cluster # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| Cluster density | 135.0 | 127.7 | 103.2 | 89.8 | 60.9 | 56.3 | 55.5 | 49.5 | 39.8 | 39.6 | 30.1 | 16.9 |
| Cluster size | 343 | 301 | 250 | 210 | 164 | 124 | 143 | 93 | 123 | 97 | 101 | 51 |
| Average cluster RMSD | 2.5 | 2.4 | 2.4 | 2.3 | 2.7 | 2.2 | 2.6 | 1.9 | 3.1 | 2.5 | 3.4 | 3.0 |
| # | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 |
| RMSD | 5.07 | 5.30 | 4.51 | 4.35 | 5.04 | 7.15 | 4.50 | 7.23 | 5.00 | 3.89 | 5.37 | 5.72 |
| GDT_TS | 0.49 | 0.50 | 0.59 | 0.60 | 0.55 | 0.64 | 0.63 | 0.63 | 0.60 | 0.58 | 0.65 | 0.54 |
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 | 1.25 | 3.74 | 3.83 | 2.13 | 4.47 | 4.25 | 4.95 | 4.32 | 4.06 | 3.75 | 5.25 |
| 2 | 1.25 | 0.00 | 3.31 | 3.34 | 2.34 | 4.18 | 3.78 | 4.79 | 4.27 | 3.65 | 3.61 | 5.09 |
| 3 | 3.74 | 3.31 | 0.00 | 0.59 | 4.13 | 4.69 | 2.20 | 5.34 | 4.14 | 2.22 | 4.42 | 4.28 |
| 4 | 3.83 | 3.34 | 0.59 | 0.00 | 4.20 | 4.81 | 2.05 | 5.52 | 3.92 | 1.88 | 4.64 | 4.25 |
| 5 | 2.13 | 2.34 | 4.13 | 4.20 | 0.00 | 4.28 | 4.55 | 4.67 | 4.67 | 4.48 | 3.70 | 5.20 |
| 6 | 4.47 | 4.18 | 4.69 | 4.81 | 4.28 | 0.00 | 4.56 | 1.78 | 4.54 | 5.25 | 2.88 | 3.72 |
| 7 | 4.25 | 3.78 | 2.20 | 2.05 | 4.55 | 4.56 | 0.00 | 5.10 | 3.42 | 2.03 | 4.37 | 3.40 |
| 8 | 4.95 | 4.79 | 5.34 | 5.52 | 4.67 | 1.78 | 5.10 | 0.00 | 5.01 | 6.03 | 3.11 | 4.10 |
| 9 | 4.32 | 4.27 | 4.14 | 3.92 | 4.67 | 4.54 | 3.42 | 5.01 | 0.00 | 3.65 | 4.66 | 3.30 |
| 10 | 4.06 | 3.65 | 2.22 | 1.88 | 4.48 | 5.25 | 2.03 | 6.03 | 3.65 | 0.00 | 4.97 | 4.18 |
| 11 | 3.75 | 3.61 | 4.42 | 4.64 | 3.70 | 2.88 | 4.37 | 3.11 | 4.66 | 4.97 | 0.00 | 4.53 |
| 12 | 5.25 | 5.09 | 4.28 | 4.25 | 5.20 | 3.72 | 3.40 | 4.10 | 3.30 | 4.18 | 4.53 | 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 | 0.87 | 0.65 | 0.66 | 0.81 | 0.62 | 0.61 | 0.63 | 0.67 | 0.62 | 0.62 | 0.60 |
| 2 | 0.87 | 1.00 | 0.65 | 0.67 | 0.79 | 0.64 | 0.62 | 0.66 | 0.66 | 0.62 | 0.65 | 0.61 |
| 3 | 0.65 | 0.65 | 1.00 | 0.99 | 0.60 | 0.58 | 0.88 | 0.58 | 0.78 | 0.88 | 0.58 | 0.74 |
| 4 | 0.66 | 0.67 | 0.99 | 1.00 | 0.59 | 0.60 | 0.87 | 0.58 | 0.78 | 0.85 | 0.59 | 0.74 |
| 5 | 0.81 | 0.79 | 0.60 | 0.59 | 1.00 | 0.64 | 0.61 | 0.66 | 0.64 | 0.60 | 0.70 | 0.61 |
| 6 | 0.62 | 0.64 | 0.58 | 0.60 | 0.64 | 1.00 | 0.64 | 0.92 | 0.67 | 0.64 | 0.78 | 0.64 |
| 7 | 0.61 | 0.62 | 0.88 | 0.87 | 0.61 | 0.64 | 1.00 | 0.62 | 0.78 | 0.91 | 0.65 | 0.76 |
| 8 | 0.63 | 0.66 | 0.58 | 0.58 | 0.66 | 0.92 | 0.62 | 1.00 | 0.66 | 0.63 | 0.78 | 0.64 |
| 9 | 0.67 | 0.66 | 0.78 | 0.78 | 0.64 | 0.67 | 0.78 | 0.66 | 1.00 | 0.74 | 0.67 | 0.71 |
| 10 | 0.62 | 0.62 | 0.88 | 0.85 | 0.60 | 0.64 | 0.91 | 0.63 | 0.74 | 1.00 | 0.63 | 0.84 |
| 11 | 0.62 | 0.65 | 0.58 | 0.59 | 0.70 | 0.78 | 0.65 | 0.78 | 0.67 | 0.63 | 1.00 | 0.65 |
| 12 | 0.60 | 0.61 | 0.74 | 0.74 | 0.61 | 0.64 | 0.76 | 0.64 | 0.71 | 0.84 | 0.65 | 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