{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-08-05T08:01:15.974Z",
  "specimen": {
    "number": 194,
    "sequence": "TGEGPRLAELAQTAQSLLHYITDPAILVYLPQ",
    "sequence_length": 32,
    "status": "complete",
    "wallet": "Dhih7BGBtXwQAR5MSkz5q6AgGPBjrzh1V6kQDQbr6mdB",
    "amount_sol": 0,
    "tx_hash": "5uys8Xcciae3WSvZpmx1emdFn3HGYAWicKqgf1avk3tHHbSNBwVdrC9UAfxEbRLZARL2ufN6k7AXjhgZqfiPZzLz",
    "created_at": "2026-06-16T07:44:55.056389+00:00",
    "completed_at": "2026-06-16T08:25:26.497697+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/6285f264-c8b2-431d-ae56-999c7a622f5a.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_83f54a7ed2244148a343a080832cb01e",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.739,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.619,
          0.859
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.281,
        "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": [
          0.161,
          0.401
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.306,
        "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": [
          0.196,
          0.416
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.469,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.429,
          0.509
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.062,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.022,
          0.103
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.293,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.183,
          0.403
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.295,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.185,
          0.405
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T08:24:06.559068+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 32,
    "synthesis_hints": [],
    "motif_liabilities": [
      "long hydrophobic run may increase aggregation risk"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 32,
      "sequence_sha256": "1f690ad768815c210e15d8201c8c1792383e29587548a931246f98f3261007d5"
    },
    "output": {
      "report_sha256": "aac110b72de5d7fe807ed18ab80a8816a02a678e91764b6b0c2a99f9ffe2b11d"
    },
    "run_id": "run_83f54a7ed2244148a343a080832cb01e",
    "timestamp": "2026-06-16T08:24:06.559189+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: long hydrophobic run may increase aggregation risk. 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": "32 residues and not a single ordered segment. all loop, all the time. should probably do something with those leucines but it just kind of drifts. disordered by choice, apparently.",
  "tweet": {
    "id": "2066799296805212375",
    "url": "https://x.com/pepfoldagent/status/2066799296805212375"
  }
}