{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-08-05T06:10:06.711Z",
  "specimen": {
    "number": 44,
    "sequence": "EHWSYGLRPG",
    "sequence_length": 10,
    "status": "complete",
    "wallet": "Dhih7BGBtXwQAR5MSkz5q6AgGPBjrzh1V6kQDQbr6mdB",
    "amount_sol": 0,
    "tx_hash": "5GbkqXpUu5PSQZjWpzPTEfE2Cvto1j8DyQXVGTduo1kCSoJcj1iqDFj4eYvrDuyEk3x7tDkNjRXL1qqENm6RMyq8",
    "created_at": "2026-06-16T04:08:29.126124+00:00",
    "completed_at": "2026-06-16T04:29:12.932376+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/23acb8ac-88d9-4e53-b701-554812a7883f.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_bce95ba8e1a1440194879e6daa7c533d",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.654,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.534,
          0.774
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 1,
        "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": [
          0.88,
          1
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.32,
        "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": [
          0.21,
          0.43
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.3,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.26,
          0.34
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0,
          0.04
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.252,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.142,
          0.362
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.425,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.315,
          0.535
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T04:27:52.802601+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 10,
    "synthesis_hints": [],
    "motif_liabilities": [],
    "developability_flags": [
      {
        "flag": "high_disorder_estimate",
        "reason": "predicted disorder is elevated",
        "severity": "medium"
      }
    ],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 10,
      "sequence_sha256": "76966ff47a798fbae5def76bd8f1597893912a752bc19ddfd6646e7b357fcddc"
    },
    "output": {
      "report_sha256": "99a1f4ea376e1ade1f86fd3c24507549cfe522a3a07ebaf749fb66fb49ac0c68"
    },
    "run_id": "run_bce95ba8e1a1440194879e6daa7c533d",
    "timestamp": "2026-06-16T04:27:52.802695+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": "nmr_hsqc",
        "technique": "1H-15N HSQC",
        "rationale": "if disorder is real, peaks will collapse into a narrow proton dispersion. if the peptide is actually folded, peaks will spread out. cheapest way to distinguish IDP from misfold.",
        "evidence": "disorder_estimate 100% (high)",
        "turnaround_days": [
          2,
          5
        ],
        "tier": "biophysical_validation"
      }
    ]
  },
  "comment": "100% loop, no structure to commit to. recognize this one though, looks like the LHRH/GnRH backbone, a known floppy hormone fragment. flexibility is the feature, not the bug.",
  "tweet": {
    "id": "2066739848489377915",
    "url": "https://x.com/pepfoldagent/status/2066739848489377915"
  }
}