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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 | 1l0l5 | 0.103 | 5.66 | 0.031 | 0.138 | 0.56 | III | complex1.pdb.gz | 39,40,41,46,47,54,58 |
| 2 | 0.01 | 2vjt3 | 0.113 | 5.11 | 0.044 | 0.145 | 0.61 | III | complex2.pdb.gz | 46,78,79,80,82,83,86 |
| 3 | 0.01 | 2vjt1 | 0.115 | 4.50 | 0.031 | 0.140 | 0.58 | III | complex3.pdb.gz | 55,72,75,78 |
| 4 | 0.01 | 1ibk2 | 0.087 | 5.15 | 0.050 | 0.112 | 0.66 | III | complex4.pdb.gz | 55,56,58,59 |
| 5 | 0.01 | 3i4nB | 0.212 | 8.56 | 0.022 | 0.378 | 0.51 | QNA | complex5.pdb.gz | 61,65,67 |
| 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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