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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 | 0.12 | 1un0A | 0.845 | 2.53 | 0.109 | 0.941 | 0.86 | III | complex1.pdb.gz | 51,54,55,88,91,95,98,99,128,132,138,139,141,144,167,168,171,174,175,177,207,210 |
| 2 | 0.11 | 1q1sC | 0.812 | 2.91 | 0.113 | 0.935 | 0.75 | III | complex2.pdb.gz | 91,95,97,98,99,100,129,132,136,169,173,176,211,215 |
| 3 | 0.06 | 1q1tC | 0.833 | 2.68 | 0.100 | 0.938 | 0.86 | III | complex3.pdb.gz | 98,102,132,136,138,139,144,169,172,175,208,211 |
| 4 | 0.06 | 1jppA | 0.787 | 3.40 | 0.112 | 0.941 | 0.76 | III | complex4.pdb.gz | 135,139,171,175,184,215 |
| 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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