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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 | 2jdq1 | 0.505 | 5.52 | 0.076 | 0.727 | 0.14 | III | complex1.pdb.gz | 15,27,50,126,133,134,137,171,173,174,175 |
| 2 | 0.01 | 2c1m0 | 0.465 | 5.93 | 0.102 | 0.698 | 0.23 | III | complex2.pdb.gz | 80,81,84,88,132,159,160,164,167,171,187,188,200 |
| 3 | 0.01 | 2c1t0 | 0.501 | 5.52 | 0.071 | 0.727 | 0.18 | III | complex3.pdb.gz | 85,88,92,132,133,134,137,175 |
| 4 | 0.01 | 1q1sC | 0.460 | 5.75 | 0.095 | 0.679 | 0.11 | III | complex4.pdb.gz | 167,170,174 |
| | 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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