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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 | 0.07 | 2yl4A | 0.643 | 3.16 | 0.128 | 0.901 | 0.73 | CDL | complex1.pdb.gz | 19,23,43,47,84 |
| 2 | 0.06 | 2eimC | 0.622 | 3.87 | 0.087 | 0.947 | 0.94 | CDL | complex2.pdb.gz | 14,18,21,22,102,105,106 |
| 3 | 0.03 | 2yl4A | 0.643 | 3.16 | 0.128 | 0.901 | 0.80 | 14Y | complex3.pdb.gz | 18,21,22,25 |
| 4 | 0.02 | 2einC | 0.623 | 3.81 | 0.094 | 0.939 | 0.79 | CDL | complex4.pdb.gz | 14,18,21 |
| 5 | 0.02 | 2eikC | 0.623 | 3.80 | 0.094 | 0.939 | 0.78 | CD | complex5.pdb.gz | 17,21,102,106 |
| 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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