> ## Documentation Index
> Fetch the complete documentation index at: https://proto.evodesign.org/docs/llms.txt
> Use this file to discover all available pages before exploring further.

# DeepPBS Motif Specificity

> Score DNA motif specificity using DeepPBS predictions

<div class="page-hero">
  <img class="page-hero-banner" src="https://proto-bio.github.io/proto-assets/images/constraint/deeppbs-motif-specificity/hero.png" alt="DeepPBS Motif Specificity" />
</div>

<Note>
  **License:** This constraint can use multiple tools, each under its own license. See the **Tools Used** tab and each tool's page for license details.
</Note>

<p class="entity-disclaimer">This constraint is open source. Any third-party models, product names, or trademarks referenced are the property of their respective owners, and Proto is not affiliated with them.</p>

<hr class="entity-rule" />

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<div class="tool-tab-bar"><span class="tool-tab-wrap"><label for="tools-constraint-deeppbs-motif-specificity" class="tool-tab tab-open badge-tools"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><rect width="7" height="7" x="3" y="3" rx="1" /><rect width="7" height="7" x="14" y="3" rx="1" /><rect width="7" height="7" x="14" y="14" rx="1" /><rect width="7" height="7" x="3" y="14" rx="1" /></svg> Tools Used</label><label for="none-constraint-deeppbs-motif-specificity" class="tool-tab tab-close badge-tools"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><rect width="7" height="7" x="3" y="3" rx="1" /><rect width="7" height="7" x="14" y="3" rx="1" /><rect width="7" height="7" x="14" y="14" rx="1" /><rect width="7" height="7" x="3" y="14" rx="1" /></svg> Tools Used</label></span> <span class="tool-tab-wrap"><label for="source-constraint-deeppbs-motif-specificity" class="tool-tab tab-open badge-source"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><polyline points="16 18 22 12 16 6" /><polyline points="8 6 2 12 8 18" /></svg> Source</label><label for="none-constraint-deeppbs-motif-specificity" class="tool-tab tab-close badge-source"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><polyline points="16 18 22 12 16 6" /><polyline points="8 6 2 12 8 18" /></svg> Source</label></span></div>

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      <img noZoom src="https://proto-bio.github.io/proto-assets/images/tool/alphafold3/social.png" alt="" loading="lazy" />
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<a href="https://github.com/evo-design/proto-language/blob/d3b7822f74ea64747cc751a3b2ab1aa6b799ac47/proto_language/constraint/protein_structure/dna_motif_specificity_constraint.py#L500" target="_blank" class="tab-panel source-panel" data-tab="source-constraint-deeppbs-motif-specificity">
  <div class="source-info">
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    <span class="source-path">evo-design/proto-language<span class="source-subpath">/proto\_language/constraint/protein\_structure/dna\_motif\_specificity\_constraint.py</span></span>
  </div>

  <span class="panel-goto-btn source-goto-btn"><span><svg width="14" height="14" viewBox="0 0 24 24" fill="currentColor"><path d="M12 0C5.37 0 0 5.37 0 12c0 5.31 3.435 9.795 8.205 11.385.6.105.825-.255.825-.57 0-.285-.015-1.23-.015-2.235-3.015.555-3.795-.735-4.035-1.41-.135-.345-.72-1.41-1.23-1.695-.42-.225-1.02-.78-.015-.795.945-.015 1.62.87 1.845 1.23 1.08 1.815 2.805 1.305 3.495.99.105-.78.42-1.305.765-1.605-2.67-.3-5.46-1.335-5.46-5.925 0-1.305.465-2.385 1.23-3.225-.12-.3-.54-1.53.12-3.18 0 0 1.005-.315 3.3 1.23.96-.27 1.98-.405 3-.405s2.04.135 3 .405c2.295-1.56 3.3-1.23 3.3-1.23.66 1.65.24 2.88.12 3.18.765.84 1.23 1.905 1.23 3.225 0 4.605-2.805 5.625-5.475 5.925.435.375.81 1.095.81 2.22 0 1.605-.015 2.895-.015 3.3 0 .315.225.69.825.57A12.02 12.02 0 0024 12c0-6.63-5.37-12-12-12z" /></svg> View source</span></span>
</a>

<div class="entity-contributors"><span class="entity-contributors-label">Constraint contributors</span><span class="entity-contributors-people"><a class="entity-contributor" href="https://github.com/adititm" target="_blank" rel="noopener" title="adititm: 1 commit"><img noZoom class="entity-contributor-avatar" src="https://avatars.githubusercontent.com/u/61667248?v=4&s=64" alt="" loading="lazy" /><span class="entity-contributor-login">adititm</span></a><a class="entity-contributor" href="https://github.com/dguo8412" target="_blank" rel="noopener" title="dguo8412: 1 commit"><img noZoom class="entity-contributor-avatar" src="https://avatars.githubusercontent.com/u/46211285?v=4&s=64" alt="" loading="lazy" /><span class="entity-contributor-login">dguo8412</span></a></span></div>
Specificity score from DeepPBS predicted base-preference matrices.

Same scoring as the NA-MPNN constraint, but with DeepPBS predictions. If the
DeepPBS tool call fails, every candidate receives the worst score with an
explanatory metadata key rather than crashing (structure prediction still raises).

## API Reference

<div class="api-model-section api-model-static api-config-section">
  <div class="api-model-header"><span class="api-model-badge api-config-badge">Config</span><span class="api-model-name">DeepPBSMotifSpecificityConfig</span><a href="https://github.com/evo-design/proto-language/blob/d3b7822f74ea64747cc751a3b2ab1aa6b799ac47/proto_language/constraint/protein_structure/dna_motif_specificity_constraint.py#L201" target="_blank" class="func-table-btn func-source-btn api-model-source"><svg width="12" height="12" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><polyline points="16 18 22 12 16 6" /><polyline points="8 6 2 12 8 18" /></svg> Source</a></div>

  Config for the deeppbs-motif-specificity constraint.

  <ParamField path="deeppbs_config" type="DeepPBSSpecificityConfig">
    Tool config for deeppbs-specificity predictions.
  </ParamField>

  <ParamField path="structure_tool" type="enum" default="alphafold3">
    Predictor for the protein-DNA complex; must be DNA-capable (alphafold3/boltz2/protenix).

    Options: `esmfold`, `esmfold2`, `alphafold3`, `boltz2`, `chai1`, `protenix`, `alphafold2`, `alphafold2_binder`
  </ParamField>

  <ParamField path="esmfold_config" type="ESMFoldConfig">
    Configuration for ESMFold structure prediction.
  </ParamField>

  <ParamField path="esmfold2_config" type="ESMFold2Config">
    Configuration for ESMFold2 structure prediction.
  </ParamField>

  <ParamField path="alphafold3_config" type="AlphaFold3Config">
    Configuration for AlphaFold3 structure prediction.
  </ParamField>

  <ParamField path="boltz2_config" type="Boltz2Config">
    Configuration for Boltz2 structure prediction.
  </ParamField>

  <ParamField path="chai1_config" type="Chai1Config">
    Configuration for Chai1 structure prediction.
  </ParamField>

  <ParamField path="protenix_config" type="ProtenixConfig">
    Configuration for Protenix structure prediction.
  </ParamField>

  <ParamField path="alphafold2_config" type="AlphaFold2Config">
    Configuration for the general AlphaFold2 multimer structure predictor.
  </ParamField>

  <ParamField path="alphafold2_binder_config" type="AlphaFold2BinderStructureConfig">
    Configuration for the AF2 binder-design backend.
  </ParamField>

  <ParamField path="target_motif" type="string" required>
    Target DNA motif in A/C/G/T alphabet.
  </ParamField>

  <ParamField path="off_target_motifs" type="List[string]" required>
    Off-target motifs used for the specificity margin.
  </ParamField>

  <ParamField path="dna_indices" type="List[integer]">
    0-based DNA indices mapped to motif positions (required only when scoring\_mode='cross\_entropy').
  </ParamField>

  <ParamField path="desired_margin" type="number" default="1.0">
    Specificity advantage satisfying the term; scale follows scoring\_mode (CE or log-prob).
  </ParamField>

  <ParamField path="dna_chain_label" type="integer" default="0">
    Canonical DNA chain label for motif indexing when multiple DNA chains exist (fwd strand 0).
  </ParamField>

  <ParamField path="scoring_mode" type="enum" default="sliding_logprob">
    Motif scoring: fixed-index cross\_entropy or sliding-window log-prob.

    Options: `cross_entropy`, `sliding_logprob`
  </ParamField>
</div>

<div class="api-model-section api-model-static api-output-section">
  <div class="api-model-header"><span class="api-model-badge api-output-badge">Returns</span><span class="api-model-name">ConstraintOutput</span></div>

  One result per candidate; score 0.0 (best) when the
  target beats every off-target by `desired_margin`, 1.0 (worst) otherwise.
</div>

## Usage

```python python icon="python" theme={null}
from proto_language.core import Constraint
from proto_language.constraint import deeppbs_motif_specificity_constraint, DeepPBSMotifSpecificityConfig

constraint = Constraint(
    inputs=[segment],
    function=deeppbs_motif_specificity_constraint,
    function_config=DeepPBSMotifSpecificityConfig(
        # Configure parameters here
    ),
)

scores = constraint.evaluate()
```

## Metadata

| Property        | Value                                  |
| --------------- | -------------------------------------- |
| Key             | `deeppbs-motif-specificity`            |
| Function        | `deeppbs_motif_specificity_constraint` |
| Category        | `protein_structure`                    |
| Mode            | `discrete`                             |
| Uses GPU        | `True`                                 |
| Supported Types | `protein`, `dna`                       |
