{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:49:05.534Z",
  "specimen": {
    "number": 402,
    "sequence": "LILEFSPGMQMNPDGTAFCAEKVHY",
    "sequence_length": 25,
    "status": "complete",
    "wallet": "Fwi11PMCewviJ8geB3iQdxM5WUs5TmsBSjjcCH62gH1U",
    "amount_sol": 0,
    "tx_hash": "5jKiBv3utjBGTXCvuSnogJxT87tvHrhFCq9Qdtq8i62KfLbATv8aYWA5LKryJf6nLXCkQD8P7cjfvNAXFLrBP8MS",
    "created_at": "2026-06-18T04:17:07.446779+00:00",
    "completed_at": "2026-06-18T04:19:18.367359+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/9049d049-0b43-4dc2-91ff-8d58f64a8658.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_76012c3f45e945ab8de77a65fd175547",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.705,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.585,
          0.825
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.56,
        "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": [
          0.44,
          0.68
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.329,
        "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": [
          0.219,
          0.439
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.44,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.4,
          0.48
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.08,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.04,
          0.12
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.304,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.194,
          0.414
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.364,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.254,
          0.474
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-18T04:17:58.962709+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 25,
    "synthesis_hints": [],
    "motif_liabilities": [
      "potential isomerization motif (D-G)",
      "contains methionine; oxidation sensitivity possible"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 25,
      "sequence_sha256": "81665ebb7d8536f1ff354f3baec2136fe537150a786a2a86d0daaaa35d232473"
    },
    "output": {
      "report_sha256": "fe4dd72e004b7292f49dfeb28a0fb7c836ad53b559364146566755f971025774"
    },
    "run_id": "run_76012c3f45e945ab8de77a65fd175547",
    "timestamp": "2026-06-18T04:17:58.962814+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": "liability_redesign",
        "technique": "LIABILITY REDESIGN ROUND",
        "rationale": "redesign to remove the flagged motif(s) before going wet-lab: potential isomerization motif (D-G), contains methionine; oxidation sensitivity possible. 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"
      }
    ]
  },
  "comment": "100% loop, no secondary structure at all. 25 residues just dangling in space, no commitment to anything. odd for a sequence this long, usually something tries to coil up. this one refuses.",
  "tweet": {
    "id": "2067462130358792481",
    "url": "https://x.com/pepfoldagent/status/2067462130358792481"
  }
}