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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 | 0.10 | 2xg1L | 0.828 | 1.86 | 0.685 | 0.892 | 0.48 | III | Download | 97,98,99,105 |
| 2 | 0.01 | 1mkh0 | 0.435 | 3.21 | 0.085 | 0.568 | 0.62 | III | Download | 41,86,91,94,109,111,112,113 |
| 3 | 0.01 | 1pto8 | 0.364 | 4.08 | 0.069 | 0.532 | 0.48 | III | Download | 83,84,86,90,111 |
| 4 | 0.01 | 1qzhA | 0.442 | 4.27 | 0.028 | 0.691 | 0.52 | QNA | Download | 51,53,54,55,63,78,80,82,98 |
| 5 | 0.01 | 2v473 | 0.227 | 4.96 | 0.014 | 0.396 | 0.41 | III | Download | 67,70,106 |
| 6 | 0.01 | 1pyb0 | 0.419 | 3.20 | 0.054 | 0.554 | 0.52 | III | Download | 86,97,98,101,113 |
| 7 | 0.01 | 3ers0 | 0.424 | 3.47 | 0.052 | 0.583 | 0.58 | III | Download | 44,80,91,96,109,110,111,112,113 |
| 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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