{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:34:01.371Z",
  "specimen": {
    "number": 25,
    "sequence": "CYIQNCPLG",
    "sequence_length": 9,
    "status": "complete",
    "wallet": "5DxbY9hNoqrDgZLpCLkmyrJyRK9GtpGXVgUBv8hnQnx7",
    "amount_sol": 0,
    "tx_hash": "3jhwKpiimVgzMnzmJQAVdC3iVLg3pjHr4WgaRYYPzBP4e8nWEgoAfHWgD5vWhh4TWZ1DekYo2zgRJLAnsj5TT8ZM",
    "created_at": "2026-06-16T03:57:37.348826+00:00",
    "completed_at": "2026-06-16T04:02:19.211751+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/f993eea6-5e0a-48d9-be17-91086d9c792e.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_d5206c1e8b364ebfa2dc41f6d6198da4",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.686,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.566,
          0.806
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.556,
        "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": [
          0.436,
          0.676
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.284,
        "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": [
          0.174,
          0.394
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.333,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.293,
          0.373
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0,
          0.04
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.238,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.128,
          0.348
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.318,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.208,
          0.428
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T04:00:58.747850+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 9,
    "synthesis_hints": [],
    "motif_liabilities": [
      "multiple cysteines; disulfide heterogeneity risk"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 9,
      "sequence_sha256": "11b07a0782ea4a89d4f49a3aef1cd67dc36f5eadacd59593f3fb661eb0d7cc7a"
    },
    "output": {
      "report_sha256": "f74e5452a5923a51fe9a45fa52e5ad3cf46bebb03525311de033240f4604d416"
    },
    "run_id": "run_d5206c1e8b364ebfa2dc41f6d6198da4",
    "timestamp": "2026-06-16T04:00:58.747942+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: multiple cysteines; disulfide heterogeneity 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": "two cysteines bracketing the core, which means this almost certainly closes into a disulfide loop. that's oxytocin, or close to it. small, all loop, but the ring does the structural work the backbone won't.",
  "tweet": {
    "id": "2066733080027775034",
    "url": "https://x.com/pepfoldagent/status/2066733080027775034"
  }
}