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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 | 0.01 | 1qgrA | 0.582 | 6.20 | 0.072 | 0.765 | 0.12 | III | complex1.pdb.gz | 163,166,167,233,236,289,293,296 |
| 2 | 0.01 | 3c2gB | 0.379 | 6.95 | 0.059 | 0.534 | 0.19 | III | complex2.pdb.gz | 171,210,211,352 |
| 3 | 0.01 | 1w9c0 | 0.243 | 5.93 | 0.059 | 0.314 | 0.11 | III | complex3.pdb.gz | 167,170,171,175,178,186 |
| 4 | 0.01 | 3c2gA | 0.378 | 6.91 | 0.064 | 0.530 | 0.21 | III | complex4.pdb.gz | 290,294,297 |
| 5 | 0.01 | 2ie40 | 0.457 | 5.73 | 0.072 | 0.589 | 0.15 | III | complex5.pdb.gz | 98,99,172,173,176 |
| 6 | 0.01 | 1f59A | 0.362 | 5.80 | 0.057 | 0.463 | 0.13 | III | complex6.pdb.gz | 175,176,179,180,183,238,240 |
| 7 | 0.01 | 3rg1J | 0.385 | 6.76 | 0.068 | 0.527 | 0.11 | UUU | complex7.pdb.gz | 241,243,247 |
| 8 | 0.01 | 1llzA | 0.367 | 8.29 | 0.046 | 0.570 | 0.11 | FMN | complex8.pdb.gz | 241,249,250 |
| | 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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