About MetalBind
MetalBind is a web server for predicting protein binding residues for metals using geometry- and sequence-aware models. Below we summarize evaluation thresholds and usage notes.
The results page returns a per-residue binding score. To call binding vs non-binding residues we apply thresholds optimized on the validation set (max F1). The table below lists the chosen thresholds and test-set metrics.
| Ligand | Threshold | Recall | Precision | F1-score |
|---|---|---|---|---|
| ZN | 0.537 | 0.614 | 0.746 | 0.673 |
| MG | 0.395 | 0.174 | 0.639 | 0.274 |
| CA | 0.431 | 0.390 | 0.720 | 0.506 |
| MN | 0.500 | 0.447 | 0.615 | 0.518 |
| FE | 0.473 | 0.679 | 0.674 | 0.676 |
| CO | 0.491 | 0.336 | 0.564 | 0.421 |
| CU | 0.117 | 0.642 | 0.567 | 0.602 |
| FE2 | 0.827 | 0.556 | 0.673 | 0.609 |
| NA | 0.242 | 0.202 | 0.312 | 0.245 |
| K | 0.062 | 0.313 | 0.172 | 0.222 |
| CU1 | 0.087 | 0.703 | 0.228 | 0.344 |
| NI | 0.703 | 0.371 | 0.394 | 0.382 |
| CD | 0.402 | 0.383 | 0.667 | 0.486 |