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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 | 3cq8A | 0.501 | 4.86 | 0.059 | 0.749 | 0.17 | TTP | complex1.pdb.gz | 129,130,131 |
| 2 | 0.01 | 3taeD | 0.452 | 4.82 | 0.043 | 0.672 | 0.31 | QNA | complex2.pdb.gz | 171,173,180,181 |
| 3 | 0.01 | 2oyqA | 0.356 | 5.69 | 0.029 | 0.631 | 0.32 | N5P | complex3.pdb.gz | 135,138,139,160,161,162 |
| 4 | 0.01 | 3kd5E | 0.492 | 5.00 | 0.067 | 0.728 | 0.18 | PPF | complex4.pdb.gz | 129,131,132 |
| 5 | 0.01 | 1ig9A | 0.488 | 4.94 | 0.067 | 0.728 | 0.34 | TTP | complex5.pdb.gz | 131,132,133,134 |
| 6 | 0.01 | 2p5oA | 0.366 | 5.71 | 0.044 | 0.646 | 0.33 | QNA | complex6.pdb.gz | 128,132,165,166,169 |
| 7 | 0.01 | 1ih7A | 0.452 | 5.13 | 0.074 | 0.672 | 0.33 | GMP | complex7.pdb.gz | 127,131,165,166,169 |
| 8 | 0.01 | 1q9yA | 0.500 | 4.92 | 0.069 | 0.754 | 0.14 | DCP | complex8.pdb.gz | 168,169,170 |
| 9 | 0.01 | 3s9hA | 0.492 | 5.05 | 0.072 | 0.739 | 0.11 | QNA | complex9.pdb.gz | 173,174,177 |
| 10 | 0.01 | 1q9xA | 0.467 | 4.97 | 0.048 | 0.708 | 0.32 | QNA | complex10.pdb.gz | 128,132,165,169 |
| 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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