{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-08-05T05:22:02.712Z",
  "specimen": {
    "number": 399,
    "sequence": "NWSAQPVKQLYNIRSAMTGIESVARSTLIQM",
    "sequence_length": 31,
    "status": "complete",
    "wallet": "BzBomhaACTVa1RLCkQE7kyLgfLGKdUysrREmbeGzfndA",
    "amount_sol": 0,
    "tx_hash": "2FwdMct797yW4EodZLLgotWnDqCVQMnrhREjzegM6dWXk4zDUUvgs6LpfL35ZUkzX5s4GNAXM8hWSkqoLcvwxUgE",
    "created_at": "2026-06-17T21:09:19.121848+00:00",
    "completed_at": "2026-06-17T21:26:04.778257+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/5b22a357-9a7d-4866-a2d1-519c2f9113f0.pdb",
    "helix_pct": 0,
    "sheet_pct": 0,
    "loop_pct": 100
  },
  "triage": {
    "models": {
      "fold_model": {
        "name": "ESMFold",
        "version": "esmatlas-esmfold-v1"
      },
      "triage_model": {
        "name": "PEPFOLD heuristic triage",
        "version": "pepfold-triage-v1"
      },
      "comment_model": {
        "name": "Claude",
        "version": "claude-opus-4-7"
      }
    },
    "run_id": "run_b5b740c6c1ae4e13b75cc9abc86486e2",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.867,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.747,
          0.987
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.097,
        "source": {
          "model": "PEPFOLD structure heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.52,
        "evidence_note": "estimated from loop proportion and low-confidence structure regions",
        "confidence_band": [
          0,
          0.217
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.254,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "hydrophobic burden, aromatic burden, charge, and long hydrophobic runs",
        "confidence_band": [
          0.144,
          0.364
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.452,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.412,
          0.492
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.065,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.025,
          0.105
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.26,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.15,
          0.37
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.225,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.115,
          0.335
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-17T21:24:44.940043+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 31,
    "synthesis_hints": [],
    "motif_liabilities": [
      "contains methionine; oxidation sensitivity possible"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 31,
      "sequence_sha256": "fe703c3446d3246befe29654fe6a37d7988e53b55347205af8773d6a4b9a4170"
    },
    "output": {
      "report_sha256": "be2c8091d647751ad3d215a484ae7a94c9c865ad7f6c4c7602a2c3f641310253"
    },
    "run_id": "run_b5b740c6c1ae4e13b75cc9abc86486e2",
    "timestamp": "2026-06-17T21:24:44.940140+00:00",
    "pipeline_versions": {
      "pep_model_version": "claude-opus-4-7",
      "fold_model_version": "esmatlas-esmfold-v1",
      "triage_model_version": "pepfold-triage-v1",
      "secondary_structure_source": "plddt_fallback"
    }
  },
  "attestation": null,
  "next_experiments": {
    "engine": "pepfold-recs-v1",
    "recommendations": [
      {
        "id": "liability_redesign",
        "technique": "LIABILITY REDESIGN ROUND",
        "rationale": "redesign to remove the flagged motif(s) before going wet-lab: contains methionine; oxidation sensitivity possible. minimal substitutions usually suffice (e.g. N→Q for deamidation hotspots, M→L for met oxidation).",
        "evidence": "1 motif liability flag(s) in the sequence",
        "turnaround_days": [
          0,
          1
        ],
        "tier": "in_silico_only"
      }
    ]
  },
  "comment": "31 residues and not a single ordered fragment. pure loop, fully disordered, the kind of chain that just drifts. composition looks fine on paper but nothing here wants to commit to a shape.",
  "tweet": {
    "id": "2067358138475647213",
    "url": "https://x.com/pepfoldagent/status/2067358138475647213"
  }
}