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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 | 3k16A | 0.505 | 4.03 | 0.100 | 0.853 | 0.23 | III | complex1.pdb.gz | 48,53,55,74 |
| 2 | 0.01 | 3k0hA | 0.508 | 4.06 | 0.091 | 0.853 | 0.15 | III | complex2.pdb.gz | 59,60,62 |
| 3 | 0.01 | 3cojB | 0.463 | 4.05 | 0.082 | 0.794 | 0.15 | III | complex3.pdb.gz | 9,73,74 |
| 4 | 0.01 | 1t2vD | 0.505 | 3.93 | 0.094 | 0.824 | 0.14 | III | complex4.pdb.gz | 12,55,56,57 |
| 5 | 0.01 | 3k0kA | 0.512 | 4.05 | 0.089 | 0.853 | 0.15 | III | complex5.pdb.gz | 46,47,72 |
| 6 | 0.01 | 1kzy2 | 0.518 | 3.46 | 0.099 | 0.784 | 0.12 | III | complex6.pdb.gz | 42,43,45 |
| 7 | 0.01 | 3cojA | 0.501 | 4.12 | 0.069 | 0.853 | 0.11 | III | complex7.pdb.gz | 10,51,52 |
| 8 | 0.01 | 1t29A | 0.509 | 3.98 | 0.101 | 0.843 | 0.10 | III | complex8.pdb.gz | 7,8,10,63,64 |
| 9 | 0.01 | 3cojF | 0.500 | 3.82 | 0.082 | 0.824 | 0.10 | III | complex9.pdb.gz | 44,45,47 |
| 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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