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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 | 3bz7A | 0.269 | 4.86 | 0.072 | 0.405 | 0.43 | BL4 | complex1.pdb.gz | 51,60,83,86,87,90 |
| 2 | 0.01 | 1lm1A | 0.340 | 5.45 | 0.075 | 0.563 | 0.59 | F3S | complex2.pdb.gz | 88,89,90,91,96,97,98 |
| 3 | 0.01 | 2aka0 | 0.284 | 6.02 | 0.052 | 0.530 | 0.44 | III | complex3.pdb.gz | 51,52,53,54,87 |
| 4 | 0.01 | 1mneA | 0.284 | 6.01 | 0.043 | 0.493 | 0.46 | POP | complex4.pdb.gz | 63,64,65,107 |
| 5 | 0.01 | 3mylX | 0.260 | 5.91 | 0.017 | 0.461 | 0.49 | POP | complex5.pdb.gz | 87,88,90,91,110,111 |
| 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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