{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-08-05T06:10:22.795Z",
  "specimen": {
    "number": 165,
    "sequence": "LARATMNDLWTAFLKNPDSLEPSDFSVKSIGEARSSLQRGGKLR",
    "sequence_length": 44,
    "status": "complete",
    "wallet": "4QrqjQgWDiX4hAGYX3RuCTLnijoDJgkpCmZrb9bX9zxL",
    "amount_sol": 0,
    "tx_hash": "472NB6f1gtjjYx57WCNYgzWZWZECF8b4gjynRuEDgSGP9rgH3mU9XafCbi1XJToTQbL4i4M9sbmidCB9VaLazbKE",
    "created_at": "2026-06-16T07:13:59.782926+00:00",
    "completed_at": "2026-06-16T07:36:10.195751+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/3e393d13-1779-40bd-9dec-60bcc38c70c5.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_dda30c598707452e8f82af04982a47f3",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.714,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.594,
          0.834
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0.341,
        "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": [
          0.221,
          0.461
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.242,
        "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": [
          0.132,
          0.352
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.364,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.324,
          0.404
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.045,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.005,
          0.085
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.229,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.119,
          0.339
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.256,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.146,
          0.366
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T07:34:49.894045+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 44,
    "synthesis_hints": [],
    "motif_liabilities": [
      "contains methionine; oxidation sensitivity possible"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 44,
      "sequence_sha256": "ce276bafbff771f73fc36cf53dd7cd34b344236dcab15e5c6d51645218048877"
    },
    "output": {
      "report_sha256": "7c038f2a76a2e2e4a1fe26d274569399af020d77bf64b9bc94c003c9f348d359"
    },
    "run_id": "run_dda30c598707452e8f82af04982a47f3",
    "timestamp": "2026-06-16T07:34:49.894148+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: contains methionine; oxidation sensitivity possible. minimal substitutions usually suffice (e.g. N→Q for deamidation hotspots, M→L for met oxidation).",
        "evidence": "1 motif liability flag(s) in the sequence",
        "turnaround_days": [
          0,
          1
        ],
        "tier": "in_silico_only"
      }
    ]
  },
  "comment": "44 residues of pure loop. no helix, no sheet, just a long floppy string drifting through space. composition is all over the place too, charged residues scattered like it can't commit to a personality.",
  "tweet": {
    "id": "2066786897071157509",
    "url": "https://x.com/pepfoldagent/status/2066786897071157509"
  }
}