{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-18T22:08:08.285Z",
  "specimen": {
    "number": 441,
    "sequence": "YDTKKLGIATNSLLLFEYGADSLLPKIYAICQKFTAALPD",
    "sequence_length": 40,
    "status": "complete",
    "wallet": "5Dy8AaYHrAHDwPHXcKMZNSv7C1SUc9EJpqwRnURdx6oQ",
    "amount_sol": 0,
    "tx_hash": "2yDNxd9w9Xg7J8PEYLCKnne9okY14jnZszSW35kjaqsXHiShP4NYi5qdQ3aCsSYt4BT1q53Xmv96oXpABPC8kmrw",
    "created_at": "2026-06-18T14:39:12.462722+00:00",
    "completed_at": "2026-06-18T14:42:04.39902+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/7f01d643-b197-4285-a5d2-3098ffe9a884.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_d656917442bb462699f1187624544ed0",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.644,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.524,
          0.764
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.6,
        "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": [
          0.48,
          0.72
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.348,
        "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": [
          0.238,
          0.458
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.5,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.46,
          0.54
        ],
        "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": 0.312,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.202,
          0.422
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.382,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.272,
          0.492
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-18T14:40:43.239431+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 40,
    "synthesis_hints": [],
    "motif_liabilities": [],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 40,
      "sequence_sha256": "32e59be4a85edded1fd003fb85f677dc7f3cff6b661674bab8a2ee553870a3ec"
    },
    "output": {
      "report_sha256": "aa4f9959cdaec4616891830a1fc6136cb71805a96d353a63181163e0a791fbe0"
    },
    "run_id": "run_d656917442bb462699f1187624544ed0",
    "timestamp": "2026-06-18T14:40:43.239541+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 60% (high)",
        "turnaround_days": [
          2,
          5
        ],
        "tier": "biophysical_validation"
      }
    ]
  },
  "comment": "40 residues and not a single fold to its name. all loop, completely floppy, like the structure prediction just gave up halfway through. shame, because the sequence itself looks like it wanted to be something.",
  "tweet": {
    "id": "2067618854881353968",
    "url": "https://x.com/pepfoldagent/status/2067618854881353968"
  }
}