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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 | 0.90 | 1b23P | 0.988 | 0.79 | 0.723 | 0.998 | 1.79 | GNP | Download | 21,22,23,24,25,26,27,47,61,62,84,136,137,139,140,174,175,176 |
| 2 | 0.38 | 2c77A | 0.896 | 2.35 | 0.718 | 0.982 | 1.35 | III | Download | 14,98,216,217,219,221,224,227,229,258,259,261,262,263,264,275,276,277,279 |
| 3 | 0.11 | 2c78A | 0.850 | 2.91 | 0.693 | 0.972 | 0.82 | PUL | Download | 89,90,93,94,97,98,122,125,126,375,377,379 |
| 4 | 0.11 | 2y0yZ | 0.869 | 2.26 | 0.677 | 0.942 | 0.85 | KIR | Download | 93,97,118,121,124,125,126 |
| 5 | 0.06 | 2d740 | 0.756 | 3.29 | 0.328 | 0.878 | 0.90 | III | Download | 28,31,135,138,139,141,143,144,147,148,151,169,172,175,177,178,194,198,199 |
| 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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