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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 | 0.04 | 3hymD | 0.465 | 3.40 | 0.135 | 0.529 | 0.58 | III | complex1.pdb.gz | 59,100,106,125,140,144,150,174,176,179,180,183,186,218,221,222,225,228,229,233,254,260,263,264,300 |
| 2 | 0.02 | 3hymH | 0.479 | 4.42 | 0.117 | 0.594 | 0.56 | III | complex2.pdb.gz | 60,63,82,96,100,103,138,140,143,144,147,150,176,179,180,183,225,228,229,233,254,258,259 |
| 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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