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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.03 | 1v1qA | 0.663 | 2.78 | 0.141 | 0.960 | 0.96 | CYS | Download | 11,12,13,24,34,35 |
| 2 | 0.03 | 1y142 | 0.655 | 2.48 | 0.145 | 0.878 | 0.41 | III | Download | 8,10,11,12,28,29,52,54 |
| 3 | 0.02 | 2ix0A | 0.666 | 2.49 | 0.101 | 0.878 | 0.42 | C5P | Download | 9,10,25,26,27 |
| 4 | 0.01 | 2fmm8 | 0.328 | 3.86 | 0.021 | 0.608 | 0.53 | III | Download | 14,16,18,23,30,33 |
| 5 | 0.01 | 2v466 | 0.201 | 3.27 | 0.000 | 0.338 | 0.49 | III | Download | 11,35,36,37,38,40 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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