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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 | 0.14 | 2v1c2 | 0.957 | 1.16 | 0.316 | 1.000 | 1.30 | III | Download | 1,5,12,17,25,29,30,32,34,35,38,40,41,42,44,45,46,49,50,52,61,68,86,87,90,93,94,106 |
| 2 | 0.07 | 2v1c1 | 0.944 | 1.44 | 0.316 | 1.000 | 1.41 | III | Download | 87,91,92,95,97,141,162,163,164,166,167,168,169,170,171,172,174,176,177,181,183,184,185,187,188,189,190,191,192 |
| 3 | 0.01 | 1x70A | 0.505 | 5.15 | 0.089 | 0.816 | 0.60 | UUU | Download | 169,174,175 |
| 4 | 0.01 | 1tk3B | 0.500 | 4.93 | 0.079 | 0.786 | 0.61 | NDG | Download | 170,174,175,176 |
| 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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