{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-10T16:20:16.473Z",
  "specimen": {
    "number": 12,
    "sequence": "MKWVTFISLLLLFSSAYS",
    "sequence_length": 18,
    "status": "complete",
    "wallet": "7xKpAbCdEfGhIjKlMnOpQrStUvWxYz1234567nQ2",
    "amount_sol": 0.025,
    "tx_hash": "TEST_2293e2a9c41b6448070d2c6ae0a28ced",
    "created_at": "2026-06-02T13:54:50.826488+00:00",
    "completed_at": "2026-06-01T00:00:00+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/4c779ea9-f29e-4cb5-b783-27c42b1aadd1.pdb",
    "helix_pct": 89,
    "sheet_pct": 0,
    "loop_pct": 11
  },
  "triage": {
    "models": {
      "fold_model": {
        "name": "ESMFold",
        "version": "esmatlas-esmfold-v1+fixture"
      },
      "triage_model": {
        "name": "PEPFOLD heuristic triage",
        "version": "pepfold-triage-v1"
      },
      "comment_model": {
        "name": "Claude",
        "version": "claude-opus-4-7"
      }
    },
    "run_id": "run_c3f1d5e900d04f39a523fbe0d6494f98",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.849,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1+fixture"
        },
        "confidence": 0.78,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.794,
          0.904
        ],
        "not_enough_confidence": false
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.127,
        "source": {
          "model": "PEPFOLD structure heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.78,
        "evidence_note": "estimated from loop proportion and low-confidence structure regions",
        "confidence_band": [
          0.072,
          0.182
        ],
        "not_enough_confidence": false
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.429,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.74,
        "evidence_note": "hydrophobic burden, aromatic burden, charge, and long hydrophobic runs",
        "confidence_band": [
          0.364,
          0.494
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.667,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.627,
          0.707
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.056,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.016,
          0.096
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.406,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.74,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.341,
          0.471
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.358,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.74,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.293,
          0.423
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-02T13:54:53.074554+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 18,
    "synthesis_hints": [],
    "motif_liabilities": [
      "contains methionine; oxidation sensitivity possible",
      "long hydrophobic run may increase aggregation risk"
    ],
    "developability_flags": [],
    "low_confidence_reasons": []
  },
  "audit": {
    "input": {
      "sequence_length": 18,
      "sequence_sha256": "7d5253f399a813ea6d69a60f7358dbaee80cc3e46be43805f81eb76ce4bd0380"
    },
    "output": {
      "report_sha256": "4d2d5770ed7c8c79af1e1c11fde92bbd6c7e28681a434cfb70e0652c14aeb8fe"
    },
    "run_id": "run_c3f1d5e900d04f39a523fbe0d6494f98",
    "timestamp": "2026-06-02T13:54:53.074660+00:00",
    "pipeline_versions": {
      "pep_model_version": "claude-opus-4-7",
      "fold_model_version": "esmatlas-esmfold-v1+fixture",
      "triage_model_version": "pepfold-triage-v1",
      "secondary_structure_source": "dssp"
    }
  },
  "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, 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"
      },
      {
        "id": "serum_stability",
        "technique": "SERUM STABILITY + SOLUBILITY CURVE",
        "rationale": "track peptide concentration in 100% human serum over 0/1/4/24h; in parallel run a solubility titration in PBS. tells you whether the peptide survives long enough to act.",
        "evidence": "hydrophobic_burden 67% (high)",
        "turnaround_days": [
          3,
          7
        ],
        "tier": "biophysical_validation"
      }
    ]
  },
  "comment": "almost pure helix. hydrophobic as hell, looks like a signal peptide.",
  "tweet": null
}