{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:43:30.426Z",
  "specimen": {
    "number": 180,
    "sequence": "KPNQTRAIRALESIPDKKKVGEILFGEWEEESKYFQLHCAK",
    "sequence_length": 41,
    "status": "complete",
    "wallet": "6McZtdQCZFqbAY1bRJT2zXznSXjtQm69WEBkSUPMGpoX",
    "amount_sol": 0,
    "tx_hash": "54wd4avWLNr1k8r3BEyq7KaR1aMjGakcgwxhqJtygG7wiHiYc2ogoTzgh1bu3roFQLs6cSjPrLxnSg3qm23KPhFe",
    "created_at": "2026-06-16T07:30:01.073559+00:00",
    "completed_at": "2026-06-16T07:59:47.192015+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/42510f80-d9c6-461d-992b-4228e4021fc6.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_2f397ec79e304ea299a4ca025f118e84",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.665,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.545,
          0.785
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.659,
        "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": [
          0.539,
          0.779
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.274,
        "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": [
          0.164,
          0.384
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.341,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.301,
          0.381
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.024,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0,
          0.064
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.239,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.129,
          0.349
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.335,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.225,
          0.445
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T07:58:27.509058+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 41,
    "synthesis_hints": [],
    "motif_liabilities": [],
    "developability_flags": [
      {
        "flag": "high_disorder_estimate",
        "reason": "predicted disorder is elevated",
        "severity": "medium"
      }
    ],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 41,
      "sequence_sha256": "01c0d9941aadd56b4d79792aa4dab66285b58f4b7e8bc2b076291651175bd979"
    },
    "output": {
      "report_sha256": "75dad1e35ccd57104067d5b5c19497588871b4572064395db9f3a00737f5e438"
    },
    "run_id": "run_2f397ec79e304ea299a4ca025f118e84",
    "timestamp": "2026-06-16T07:58:27.509166+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": "nmr_hsqc",
        "technique": "1H-15N HSQC",
        "rationale": "if disorder is real, peaks will collapse into a narrow proton dispersion. if the peptide is actually folded, peaks will spread out. cheapest way to distinguish IDP from misfold.",
        "evidence": "disorder_estimate 66% (high)",
        "turnaround_days": [
          2,
          5
        ],
        "tier": "biophysical_validation"
      }
    ]
  },
  "comment": "41 residues and not a single bit of structure. all loop, completely floppy, like a wet noodle pretending to be a protein. the lysine and glutamate stretches probably keep it too charged to settle.",
  "tweet": {
    "id": "2066792840475414954",
    "url": "https://x.com/pepfoldagent/status/2066792840475414954"
  }
}