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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 | 0.01 | 2pg6C | 0.362 | 6.47 | 0.046 | 0.558 | 0.12 | HEM | Download | 76,363,364 |
| 2 | 0.01 | 2x2jA | 0.366 | 7.23 | 0.063 | 0.621 | 0.13 | NOJ | Download | 84,353,383 |
| 3 | 0.01 | 2pg7A | 0.364 | 6.36 | 0.046 | 0.558 | 0.11 | HEM | Download | 185,192,193,201,364,366,372 |
| 4 | 0.01 | 2x2iC | 0.362 | 7.32 | 0.056 | 0.626 | 0.17 | QPS | Download | 79,82,86,384 |
| 5 | 0.01 | 3t3sF | 0.361 | 6.30 | 0.042 | 0.553 | 0.12 | UUU | Download | 82,131,132,379,380,381,384,385 |
| 6 | 0.01 | 2fdwD | 0.365 | 6.32 | 0.053 | 0.558 | 0.11 | UUU | Download | 345,348,349,350,381 |
| 7 | 0.01 | 3t3qA | 0.365 | 6.31 | 0.046 | 0.558 | 0.11 | UUU | Download | 345,346,348,349,350,353,354 |
| 8 | 0.01 | 3t3rA | 0.364 | 6.38 | 0.053 | 0.560 | 0.12 | UUU | Download | 87,131,135,182,183,378,382 |
| 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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