{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-08-05T05:21:59.885Z",
  "specimen": {
    "number": 37,
    "sequence": "LLGDFFRKSKEKIGKEFKRIVQRIKDFLRNLVPRTES",
    "sequence_length": 37,
    "status": "complete",
    "wallet": "7fii2cB2uFjtPprpMkbf2mrNyog5ibviReJMz11YVuyb",
    "amount_sol": 0,
    "tx_hash": "2frRzeXLAiGE1h1ofirGFnWyEmisWdbtY4WdL31aHf8vFp6AGzCt5G44LTwTfhLHkJLLHRdWwkBB7WoVkNeBq2St",
    "created_at": "2026-06-16T04:04:32.672212+00:00",
    "completed_at": "2026-06-16T04:19:25.443846+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/acc26477-8f35-41b6-a0ae-23fb627326e4.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_a67a5ec0c7da4cb0b6eb7999e6b06c94",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.799,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.679,
          0.919
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.135,
        "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": [
          0.015,
          0.255
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.234,
        "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": [
          0.124,
          0.344
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.351,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.311,
          0.391
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.162,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.122,
          0.202
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.245,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.135,
          0.355
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.219,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.109,
          0.329
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T04:18:05.827934+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 37,
    "synthesis_hints": [],
    "motif_liabilities": [],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 37,
      "sequence_sha256": "2812049e6fed6cf19f2198b9028233e4cfa0e194c40a62de76a1b546b15b5d89"
    },
    "output": {
      "report_sha256": "5f9d30f31fd009412b50be498b03678989cd9a117d8edc8cc0c379b73f76eaf4"
    },
    "run_id": "run_a67a5ec0c7da4cb0b6eb7999e6b06c94",
    "timestamp": "2026-06-16T04:18:05.828014+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": "functional_assay",
        "technique": "TARGET-SPECIFIC BINDING ASSAY",
        "rationale": "no structural or developability red flags. profile is good enough to spend reagent on a real assay against your intended target (SPR, BLI, MIC, cytotox, etc., depending on context).",
        "evidence": "no developability flags · fold confidence ≥ 75% · low aggregation / disorder",
        "turnaround_days": [
          5,
          14
        ],
        "tier": "binding_or_function"
      }
    ]
  },
  "comment": "that's LL-37, or close to it. antimicrobial, usually helical when it meets a membrane, but here it's all loop, fully disordered in solution. classic chameleon, waiting for something to fold against.",
  "tweet": {
    "id": "2066737384436408450",
    "url": "https://x.com/pepfoldagent/status/2066737384436408450"
  }
}