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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 | 0.64 | 2i0iC | 0.719 | 0.83 | 0.444 | 0.750 | 1.49 | III | complex1.pdb.gz | 13,14,15,16,17,18,19,31,64,65,71 |
| 2 | 0.41 | 2awuB | 0.734 | 1.52 | 0.412 | 0.787 | 1.55 | III | complex2.pdb.gz | 12,13,14,15,16,17,34,68 |
| 3 | 0.25 | 3jxtA | 0.748 | 1.65 | 0.435 | 0.796 | 1.49 | III | complex3.pdb.gz | 15,16,17,32,34 |
| 4 | 0.23 | 2kqfA | 0.667 | 2.00 | 0.233 | 0.796 | 1.14 | III | complex4.pdb.gz | 13,14,15,16,17,18,19,20,21,22,29,31,34,64,68,71,72 |
| 5 | 0.18 | 2g2lB | 0.741 | 1.32 | 0.424 | 0.787 | 1.15 | III | complex5.pdb.gz | 14,15,16,18,72 |
| 6 | 0.08 | 2i0iA | 0.723 | 0.76 | 0.444 | 0.750 | 1.57 | III | complex6.pdb.gz | 10,11,36,37,38,41 |
| 7 | 0.08 | 1pdr2 | 0.751 | 1.43 | 0.398 | 0.796 | 1.53 | III | complex7.pdb.gz | 7,8,36,38,41 |
| 8 | 0.07 | 1pdr0 | 0.751 | 1.43 | 0.398 | 0.796 | 1.39 | III | complex8.pdb.gz | 17,18,19,22,31,32,34,35,64,68 |
| 9 | 0.07 | 2iwo0 | 0.713 | 2.20 | 0.360 | 0.806 | 1.34 | III | complex9.pdb.gz | 4,26,27,50,52,53,56,57,58,60,61,79,81 |
| 10 | 0.07 | 1n7f0 | 0.722 | 1.23 | 0.341 | 0.787 | 1.34 | III | complex10.pdb.gz | 1,2,3,4,5,6,10,41,42,43,44,46 |
| 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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