{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:32:10.120Z",
  "specimen": {
    "number": 331,
    "sequence": "IAWWPAIATKFQPIKSAVQRAVK",
    "sequence_length": 23,
    "status": "complete",
    "wallet": "BB4xvQTGTQZVPaQZmhiuVkL3RZQgj4222SoG6RwyhkBo",
    "amount_sol": 0,
    "tx_hash": "4LUtGQFH23QsuHsrXgTtarcEDVe5A9yu47w2SkjVZpKmWSaowUJBDTJhBiyE2PENLxR1FWkAWF2zJg2Cma4wKHGJ",
    "created_at": "2026-06-17T17:25:33.536652+00:00",
    "completed_at": "2026-06-17T17:33:46.071865+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/5c1b5074-c39d-4ab7-9abe-214b85ce4d8c.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_8fde0265b79742bab5cdce00d0d65dfb",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.879,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.759,
          0.999
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.043,
        "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,
          0.163
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.35,
        "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": [
          0.24,
          0.46
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.565,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.525,
          0.605
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.174,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.134,
          0.214
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.362,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.252,
          0.472
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.294,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.184,
          0.404
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-17T17:32:25.735552+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 23,
    "synthesis_hints": [],
    "motif_liabilities": [],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 23,
      "sequence_sha256": "47b3c5c8652cc5459de86d01fb34b5cdee4a55a4e1fe0fd91113d15051e8c367"
    },
    "output": {
      "report_sha256": "20eb1eadff495be8a9a651737355041f11ae25485128f0db20589d156287f300"
    },
    "run_id": "run_8fde0265b79742bab5cdce00d0d65dfb",
    "timestamp": "2026-06-17T17:32:25.735673+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": "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 56% (high)",
        "turnaround_days": [
          3,
          7
        ],
        "tier": "biophysical_validation"
      }
    ]
  },
  "comment": "pure loop, no secondary structure to be found. plenty of hydrophobics and a scatter of basics, looks like it wants to be a membrane-interacting peptide but never committed to a fold. floppy and indecisive.",
  "tweet": {
    "id": "2067299675439534539",
    "url": "https://x.com/pepfoldagent/status/2067299675439534539"
  }
}