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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 | 0.58 | 1meyF | 0.592 | 0.98 | 0.536 | 0.613 | 1.57 | UUU | complex1.pdb.gz | 70,73,85,97,98,124,126 |
| 2 | 0.54 | 2i13B | 0.730 | 2.17 | 0.467 | 0.832 | 0.96 | QNA | complex2.pdb.gz | 50,64,66,68,71,75,78,94,96,99,103,106,122,124,127,131,134 |
| 3 | 0.36 | 1jk1A | 0.573 | 1.15 | 0.410 | 0.606 | 1.35 | QNA | complex3.pdb.gz | 68,70,96,98,125,126,129 |
| 4 | 0.24 | 2gliA | 0.642 | 2.53 | 0.292 | 0.803 | 0.83 | QNA | complex4.pdb.gz | 66,68,71,103,106,111,122,123,124,127,130 |
| 5 | 0.22 | 2i13A | 0.789 | 1.62 | 0.481 | 0.832 | 1.20 | QNA | complex5.pdb.gz | 36,38,40,43,47,50,68,71,75,78,94,96,99,103,106,122,124,131,134 |
| 6 | 0.19 | 1jk2A | 0.573 | 1.15 | 0.410 | 0.606 | 1.36 | QNA | complex6.pdb.gz | 42,49,68,70,97,98,101 |
| 7 | 0.18 | 1a1fA | 0.575 | 0.90 | 0.366 | 0.599 | 1.03 | QNA | complex7.pdb.gz | 57,69,70 |
| 8 | 0.18 | 1p47A | 0.583 | 1.05 | 0.369 | 0.613 | 1.39 | QNA | complex8.pdb.gz | 70,74,96,97,98,124,125,126,129 |
| 9 | 0.08 | 1f2iH | 0.416 | 1.55 | 0.297 | 0.445 | 1.00 | QNA | complex9.pdb.gz | 126,129,133 |
| 10 | 0.08 | 1meyC | 0.564 | 1.30 | 0.542 | 0.606 | 1.33 | UUU | complex10.pdb.gz | 98,101,113,125,126,130 |
| 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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