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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 | 2w6dB | 0.466 | 3.69 | 0.046 | 0.617 | 0.54 | CPL | complex1.pdb.gz | 108,115,116,119 |
| 2 | 0.01 | 2no20 | 0.415 | 3.45 | 0.060 | 0.556 | 0.94 | III | complex2.pdb.gz | 102,103,105,106,109,110,112,113,119,120,123,126,127,130,131,133,134,137,140,141,144 |
| 3 | 0.01 | 1w7j3 | 0.259 | 3.76 | 0.013 | 0.339 | 0.42 | III | complex3.pdb.gz | 112,113,115,116,117,118,119,120,121,122,123,124,125,126,128,129,132 |
| 4 | 0.01 | 1ic20 | 0.332 | 2.99 | 0.038 | 0.422 | 0.85 | III | complex4.pdb.gz | 58,61,62,65,68,69,72,74,77,80,81,83,84,87,90,91,94,95,98,101,105,108,113,116,117,119,120 |
| 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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