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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 | 0.78 | 1meyF | 0.921 | 1.05 | 0.595 | 0.988 | 1.56 | UUU | complex1.pdb.gz | 18,21,33,45,46,72,74 |
| 2 | 0.76 | 2i13A | 0.942 | 0.85 | 0.624 | 1.000 | 0.94 | QNA | complex2.pdb.gz | 12,14,16,19,23,26,44,47,51,54,70,72,75,79,82 |
| 3 | 0.56 | 1jk2A | 0.921 | 0.85 | 0.410 | 0.977 | 1.50 | QNA | complex3.pdb.gz | 18,25,44,46,73,74,77 |
| 4 | 0.56 | 2prtA | 0.900 | 1.09 | 0.446 | 0.977 | 1.05 | QNA | complex4.pdb.gz | 16,17,18,22,46,49,72,73 |
| 5 | 0.46 | 1f2iH | 0.631 | 1.84 | 0.406 | 0.729 | 1.33 | QNA | complex5.pdb.gz | 29,31,40,42,43,44,47,50,51,54,68,71,72,75 |
| 6 | 0.27 | 1p47B | 0.916 | 0.80 | 0.415 | 0.965 | 1.45 | QNA | complex6.pdb.gz | 3,14,16,22,23,26,40,43,44,47,51,54,68,70,72,75,78,79,82 |
| 7 | 0.21 | 2i13B | 0.957 | 0.71 | 0.600 | 1.000 | 1.00 | QNA | complex7.pdb.gz | 14,18,19,22,23,26,40,42,44,47,51,54,70,72,75,79,82 |
| 8 | 0.11 | 1p47A | 0.930 | 0.88 | 0.417 | 0.988 | 1.45 | QNA | complex8.pdb.gz | 18,22,44,45,46,72,73,74,77 |
| 9 | 0.09 | 1p47B | 0.916 | 0.80 | 0.415 | 0.965 | 1.44 | QNA | complex9.pdb.gz | 16,18,46,72,73,74,77,78 |
| 10 | 0.07 | 1f2i0 | 0.623 | 1.91 | 0.406 | 0.729 | 1.21 | III | complex10.pdb.gz | 32,33,43,44,48,49,52,56,58 |
| 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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