The solubility scoring API predicts the solubility of an input protein structure.

1 Quickstart
- 1.1 Command Line Examples
- 1.2 Python Examples
2 Inputs
3 Outputs
4 Notes
- 4.1 Output File interpretation

Quickstart

Command Line Examples

Submit a PDB for solubility scoring:

cyrus engine submit solubility-score input.pdb

Python Examples

Submit a PDB for solubility scoring:

from engine.solubility_score.client import SolubilityScoreClient

client = SolubilityScoreClient()
job_id = client.submit(input_pdb="input.pdb")

Inputs

--pdb-file
- Input PDB file — cleaned and/or relaxed PDB
- Prepare a clean PDB using the Clean PDB API
- CLI argument: --pdb-file input.pdb
- Python submit() argument: pdb-file=”input.pdb”
- Do not include multimodel (NMR-sourced) PDBs.
- Cyrus strongly recommends using the Relax API on your PDB prior to using this API.

Outputs

predictions.csv
- CSV file containing solubility prediction information, containing:
  - Total solubility score for the structure
  - per-residue solubility scores
  - per-residue SASA percentages
  - per-residue absolute SASA in angstroms (Å)

Notes

Output File interpretation

The solubility score is a measure of how aggregation-prone a residue or structure is, with higher scores representing higher aggregation propensity. The SASA percentage is the accessible surface area when compared to the same residue in a GLY-X-GLY peptide (1.00 meaning 100%, or as exposed as the very-exposed same residue in the GLY-X-GLY peptide). This value may be slightly over 100%.

Cyrus Engine Public API

Solubility Scoring

Analytics