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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 | 0.04 | 2gec0 | 0.298 | 2.04 | 0.360 | 0.315 | 1.20 | III | Download | 46,47,49,88,90,91,92,93,117,150,152 |
| 2 | 0.01 | 3kllA | 0.302 | 7.04 | 0.052 | 0.504 | 0.62 | MAL | Download | 115,116,117,118,120 |
| 3 | 0.01 | 3cmvB | 0.213 | 6.68 | 0.072 | 0.341 | 0.41 | ANP | Download | 116,117,118,119,124 |
| 4 | 0.01 | 1i1eA | 0.274 | 7.04 | 0.028 | 0.454 | 0.67 | DM2 | Download | 85,86,88,111,113,122,123 |
| 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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