Table 4.
Protein Name | Cscore LB | PDB Hit | TM-Score | RMSD a | IDEN a | Cov. | BS-Score | Lig. Name | Predicted Binding Site Residues |
---|---|---|---|---|---|---|---|---|---|
NP_2126841 | 0.30 | 3asoC | 0.697 | 2.53 | 0.034 | 0.891 | 0.94 | CDL | 24, 35, 112, 116 |
0.10 | 3ag4C | 0.696 | 2.54 | 0.034 | 0.891 | 1.01 | CDL | 20, 24, 28, 31, 119 | |
0.08 | 1ory0 | 0.952 | 0.95 | 0.336 | 0.975 | 1.47 | III | 8, 10, 13, 14, 19, 22, 24, 25, 28, 57, 60, 61, 64, 65, 68, 69, 70, 73, 74, 76, 77, 80, 83, 84, 85, 87, 106, 107, 109, 110, 113, 114, 117, 118, 120, 121 | |
0.02 | 2eikC | 0.697 | 2.53 | 0.034 | 0.891 | 0.84 | CD | 26, 30, 108, 112 |
Cscore LB: Confidence score (Cscore) for the ligand binding (LB). PDB: Protein Data Bank. TM-score: Two Model comparison score. RMSD a: Root Mean Square Deviation is the RMSD between residue structurally aligned (a) by TM-align. IDEN a: Identity in the structurally aligned (a) region. Cov: Represent the coverage. BS-score: Based on structural similarity. Lig Name: Ligand name. CDL: Cardiolipin.