Design acid-tolerant proteins (AcidoMPNN)

This tool is an inverse folding design model derived from the ProteinMPNN training framework for sequence redesign of acid-tolerant proteins. The training dataset was constructed from extracellular proteins carrying signal peptides from acidophilic microorganisms, which helps avoid the noise introduced by intracellular neutral proteins and allows the model to learn the sequence and physicochemical features of naturally acid-stable secreted proteins. Given a protein PDB backbone, the model outputs candidate amino acid sequences biased toward acid-adaptive features.

This is a computational design tool, and the output sequences still require wet-lab validation for actual acid tolerance. Users only need to upload the backbone structure of the target protein to obtain acid-optimized candidate sequences and accelerate their R&D work.

Upload a protein structure file in PDB or mmCIF format, and the system will automatically parse chain information. After selecting chains to design and setting parameters, the model will generate multiple optimized amino acid sequences, with scores (score = -log_prob, lower is better) and sequence recovery rates for each.

1. Upload Protein Structure File (PDB / mmCIF):


3. Design Parameters:

Num. Sequences: Generate 1-10 sequences per target
Sampling Temp:
Higher temperature = greater sequence diversity
Backbone Noise: Add Gaussian noise (A) to backbone coordinates for diversity
Random Seed: 0 = random each time; non-zero = fixed seed
Exclude AAs:
Checked amino acids will not appear in generated sequences

4. Constraints & Biases (JSONL, optional):

The JSONL fields below provide finer control than the UI controls above. If filled, they override the corresponding chain selection / AA exclusion settings above. Position numbering is 1-based and independent of residue numbering in the PDB file.

Chain design spec - overrides chain selection above (chain_id_jsonl):

Per-chain AA exclusion - overrides exclusion list above (omit_AA_jsonl):

Fixed positions (fixed_positions_jsonl):

AA composition bias (bias_AA_jsonl):

Per-residue position bias (bias_by_res_jsonl):

Symmetry/Tied positions (tied_positions_jsonl):