{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:51:33.880Z",
  "specimen": {
    "number": 354,
    "sequence": "DDRAKDNVLLSSPTKG",
    "sequence_length": 16,
    "status": "complete",
    "wallet": "5Dy8AaYHrAHDwPHXcKMZNSv7C1SUc9EJpqwRnURdx6oQ",
    "amount_sol": 0,
    "tx_hash": "3D2M5MtQhaDzYjkVKcNrHo2w6Mrzu5F4CSMLHs5uoqFwr6ajVaFzaCXVooCzdjXR5nkMx5xfjU73nKXHsKihtfAH",
    "created_at": "2026-06-17T19:44:04.532235+00:00",
    "completed_at": "2026-06-17T19:46:25.256906+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/db2decf6-9d45-456c-ae86-0fee3df628fe.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_9747aef7290c4b40999032bfeaefbe3d",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.609,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.489,
          0.729
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 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": [
          0.88,
          1
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.269,
        "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": [
          0.159,
          0.379
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.25,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.21,
          0.29
        ],
        "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": 0.211,
        "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": 0.389,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.279,
          0.499
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-17T19:45:04.368448+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 16,
    "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": 16,
      "sequence_sha256": "f7b00369ba92c2d1740dbb1464ab7947db7a1874550427fdcddaeaf75714114f"
    },
    "output": {
      "report_sha256": "cc010ddea628258b1a8582e9c7bc5aa32f676ca6fce046aaf42ba465f637121a"
    },
    "run_id": "run_9747aef7290c4b40999032bfeaefbe3d",
    "timestamp": "2026-06-17T19:45:04.368553+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 100% (high)",
        "turnaround_days": [
          2,
          5
        ],
        "tier": "biophysical_validation"
      }
    ]
  },
  "comment": "all loop, no commitment. mixed charges and a proline kink mid-sequence, which probably explains why nothing settles. reads like a disordered linker that got submitted by mistake.",
  "tweet": {
    "id": "2067333058504892823",
    "url": "https://x.com/pepfoldagent/status/2067333058504892823"
  }
}