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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 | 0.09 | 2rh1A | 0.801 | 2.83 | 0.275 | 0.893 | 0.32 | CAU | complex1.pdb.gz | 25,89,93,97,240,243,244,247 |
| 2 | 0.06 | 2ksaA | 0.847 | 2.66 | 0.178 | 0.923 | 0.19 | III | complex2.pdb.gz | 29,30,98,99 |
| 3 | 0.05 | 1f88B | 0.747 | 2.50 | 0.167 | 0.819 | 0.22 | UUU | complex3.pdb.gz | 27,53,54 |
| 4 | 0.04 | 2ks9A | 0.847 | 2.66 | 0.178 | 0.923 | 0.22 | III | complex4.pdb.gz | 29,59,60 |
| 5 | 0.01 | 2rbnA | 0.203 | 4.93 | 0.052 | 0.282 | 0.34 | 264 | complex5.pdb.gz | 48,51,52,55,94 |
| 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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