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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 | 0.59 | 1ee4A | 0.748 | 1.83 | 0.570 | 0.782 | 1.53 | III | complex1.pdb.gz | 109,110,147,151,153,154,155,160,186,189,193,196,197,232,236,239,271,274 |
| 2 | 0.38 | 2jdq1 | 0.723 | 2.44 | 0.782 | 0.774 | 1.43 | III | complex2.pdb.gz | 143,147,151,153,154,155,186,189,193,196,197,229,232,236,239,274,281,282,284,287,320,322,323,324,329,358,361,362,366,367,397,400,404,407,408,439,443 |
| 3 | 0.10 | 1ejyI | 0.738 | 2.22 | 0.485 | 0.785 | 1.27 | III | complex3.pdb.gz | 108,109,110,147,151,153,154,155,156,160,189,193,196,197,229,232,236,239,274,312,316,323,351,358,361,362,397,400 |
| 4 | 0.10 | 1un0A | 0.724 | 3.01 | 0.510 | 0.802 | 1.06 | III | complex4.pdb.gz | 99,102,106,109,143,147,153,154,155,157,160,185,186,189,192,193,196,197,201,229,232 |
| 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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