{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:32:37.776Z",
  "specimen": {
    "number": 415,
    "sequence": "AGSSGMDRMCYHAEESNGIVPYLLMSTIVIFYLL",
    "sequence_length": 34,
    "status": "complete",
    "wallet": "9mzrG2PMmmt1BUMNaVMKAPnANhhvX8LHrJH8w9LxKCR4",
    "amount_sol": 0,
    "tx_hash": "3LyZ1o49XcYEaNP4Xud9tbQyttym7D47uRL1bQugWdBVG6zjGE8yuovwyFTzMpeXEPBD6Sp7wZMe231Z6onDCKuX",
    "created_at": "2026-06-18T04:24:40.835627+00:00",
    "completed_at": "2026-06-18T04:39:23.454128+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/f7f06a2c-60ed-4284-b8fa-65efa2438613.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_1afc30aeed44446ca9cbf8968fac7e96",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.666,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.546,
          0.786
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.588,
        "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": [
          0.468,
          0.708
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.385,
        "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": [
          0.275,
          0.495
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.529,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.489,
          0.569
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.059,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.019,
          0.099
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.352,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.242,
          0.462
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.411,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.301,
          0.521
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-18T04:38:03.027153+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 34,
    "synthesis_hints": [],
    "motif_liabilities": [
      "potential deamidation motif (N-G)",
      "contains methionine; oxidation sensitivity possible",
      "long hydrophobic run may increase aggregation risk"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 34,
      "sequence_sha256": "98a760b14225f9f8a0e17c7effcbd278a9fa28e5951b74d5263ed6e6199eff0f"
    },
    "output": {
      "report_sha256": "165ddb678c8f05b09427c945d81ef937251c7e8202f45bd0229f4200017ed1f3"
    },
    "run_id": "run_1afc30aeed44446ca9cbf8968fac7e96",
    "timestamp": "2026-06-18T04:38:03.027261+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 deamidation motif (N-G), contains methionine; oxidation sensitivity possible, long hydrophobic run may increase aggregation risk. minimal substitutions usually suffice (e.g. N→Q for deamidation hotspots, M→L for met oxidation).",
        "evidence": "3 motif liability flag(s) in the sequence",
        "turnaround_days": [
          0,
          1
        ],
        "tier": "in_silico_only"
      }
    ]
  },
  "comment": "100% loop. no helix, no sheet, just 34 residues of pure indecision. ends in a hydrophobic streak that wants to fold but never commits. structurally homeless.",
  "tweet": {
    "id": "2067467184847397231",
    "url": "https://x.com/pepfoldagent/status/2067467184847397231"
  }
}