{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:33:43.868Z",
  "specimen": {
    "number": 30,
    "sequence": "FVNQHLCGSHLVEALYLVCGERGFFYTPKT",
    "sequence_length": 30,
    "status": "complete",
    "wallet": "6McZtdQCZFqbAY1bRJT2zXznSXjtQm69WEBkSUPMGpoX",
    "amount_sol": 0,
    "tx_hash": "3WyWRJVk1USNQbyuQNSMjLQvEv9K2u4oY35zGKUxePgMYoEUucWShbpcHe3FcFiiACec8krbUyDxnb9pusW56pjy",
    "created_at": "2026-06-16T04:00:30.116128+00:00",
    "completed_at": "2026-06-16T04:09:20.507527+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/beafd065-61a0-4433-8aaa-18582cc4a40a.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_c28fc6c6969d468f9cbc82bdb0c6cd45",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.787,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.667,
          0.907
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.1,
        "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,
          0.22
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.278,
        "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": [
          0.168,
          0.388
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.433,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.393,
          0.473
        ],
        "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": 0.257,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.147,
          0.367
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.233,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.123,
          0.343
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T04:08:00.356023+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 30,
    "synthesis_hints": [],
    "motif_liabilities": [
      "multiple cysteines; disulfide heterogeneity risk",
      "long hydrophobic run may increase aggregation risk"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 30,
      "sequence_sha256": "db9c6e3bb95f9abec48db32d04cabb2b2b42a6a0dde82a37f8e1c3b935d35665"
    },
    "output": {
      "report_sha256": "54114c5384bb74d77130d24f8ed7d3c291cd5439b61dc0be3dcef59f3cbdde96"
    },
    "run_id": "run_c28fc6c6969d468f9cbc82bdb0c6cd45",
    "timestamp": "2026-06-16T04:08:00.356227+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, long hydrophobic run may increase aggregation risk. minimal substitutions usually suffice (e.g. N→Q for deamidation hotspots, M→L for met oxidation).",
        "evidence": "2 motif liability flag(s) in the sequence",
        "turnaround_days": [
          0,
          1
        ],
        "tier": "in_silico_only"
      }
    ]
  },
  "comment": "that's insulin b-chain. recognized it immediately. comes out pure loop here because the helices need the a-chain and the disulfides to actually form, and we're folding it naked. structurally lonely without its other half.",
  "tweet": {
    "id": "2066734847138414860",
    "url": "https://x.com/pepfoldagent/status/2066734847138414860"
  }
}