{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:32:22.629Z",
  "specimen": {
    "number": 367,
    "sequence": "IFKKDGLPLDYVMRERKKFIMEKADRSEVWDRYVAELSV",
    "sequence_length": 39,
    "status": "complete",
    "wallet": "Gz7zGCwz7DbDREEg4eqVnyY15qEoBtdVwNdpgP4Bf8xJ",
    "amount_sol": 0,
    "tx_hash": "2zjuXZjMmsSz11DFub5uFpUYqsfNaFKMQCLMVEt2CDgk1sx4Yua7hgdEB7BT1xWyUfwcxv8N95z5dSird6YE9J9i",
    "created_at": "2026-06-17T20:01:20.219283+00:00",
    "completed_at": "2026-06-17T20:06:44.17046+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/5b069e99-6066-4b87-ac62-d6eac965dd8e.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_8d80555cb73246eb9fb49886701c8149",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.68,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.56,
          0.8
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.487,
        "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": [
          0.367,
          0.607
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.316,
        "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": [
          0.206,
          0.426
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.462,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.422,
          0.502
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.026,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0,
          0.066
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.29,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.18,
          0.4
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.339,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.229,
          0.449
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-17T20:05:25.024016+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 39,
    "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": 39,
      "sequence_sha256": "6b860317edd0fca6a49fed5a9fe7b1f37eb9a8479c295f089716c85bdf2ad287"
    },
    "output": {
      "report_sha256": "782be5a7017cbea898b9c70c813ca5e9be96515dbbffb1ecdaaaf2d909ec7b65"
    },
    "run_id": "run_8d80555cb73246eb9fb49886701c8149",
    "timestamp": "2026-06-17T20:05:25.024111+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": "39 residues of pure loop. nothing wants to commit. charged residues scattered everywhere, lots of lysines and glutamates pulling in different directions. reads like a disordered linker that forgot it was supposed to connect two things.",
  "tweet": {
    "id": "2067338171063615898",
    "url": "https://x.com/pepfoldagent/status/2067338171063615898"
  }
}