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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 | 0.11 | 2avt0 | 0.955 | 1.22 | 0.231 | 0.981 | 1.19 | III | Download | 78,81,82,85,87,107,108,109,110,111,112,113,273,276,277,303,304,305,306,308,309,310,312 |
| 2 | 0.02 | 1axcE | 0.541 | 2.58 | 0.110 | 0.605 | 0.47 | III | Download | 32,34,73,74,75,225,238,240,241,242,243 |
| 3 | 0.02 | 1ul14 | 0.541 | 2.60 | 0.123 | 0.608 | 0.43 | III | Download | 50,51,75,225,240,241,242,243 |
| 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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