{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:33:07.275Z",
  "specimen": {
    "number": 29,
    "sequence": "GIVEQCCTSICSLYQLENYCN",
    "sequence_length": 21,
    "status": "complete",
    "wallet": "BB4xvQTGTQZVPaQZmhiuVkL3RZQgj4222SoG6RwyhkBo",
    "amount_sol": 0,
    "tx_hash": "wVQAZyQHLFS3zh2tTW3m2cHoFkytGTULhc6bzhy96t2265gfBxxx3eNewGLpFTkMjgMfaz69dx7VAztRoWgv1tW",
    "created_at": "2026-06-16T03:59:54.255816+00:00",
    "completed_at": "2026-06-16T04:07:56.08992+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/327da366-251b-4690-92ac-08c57ca9175b.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_69ee5114b93642d6a83c7ff82d745515",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.857,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.737,
          0.977
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0,
        "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,
          0.12
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.205,
        "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": [
          0.095,
          0.315
        ],
        "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": 0.095,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.055,
          0.135
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.211,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.101,
          0.321
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.167,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.057,
          0.277
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T04:06:36.525014+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 21,
    "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": 21,
      "sequence_sha256": "05cefc1ab405a05d93c040b41d960389c4d2f58efd0345813de3a6e9ead80e6d"
    },
    "output": {
      "report_sha256": "aa360df06ec7e55b56b6e4b1f79fae81d87663c776a2eebce29e89b3eeb46d9d"
    },
    "run_id": "run_69ee5114b93642d6a83c7ff82d745515",
    "timestamp": "2026-06-16T04:06:36.525121+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": "that's insulin a-chain. all loop because it needs its b-chain partner and the disulfides to mean anything. alone it's just a floppy cysteine-rich ribbon waiting for context.",
  "tweet": {
    "id": "2066734493088772127",
    "url": "https://x.com/pepfoldagent/status/2066734493088772127"
  }
}