{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T01:52:39.924Z",
  "specimen": {
    "number": 323,
    "sequence": "RKKLKLKGRLASRQLE",
    "sequence_length": 16,
    "status": "complete",
    "wallet": "Fwi11PMCewviJ8geB3iQdxM5WUs5TmsBSjjcCH62gH1U",
    "amount_sol": 0,
    "tx_hash": "4kgDsNpdDe3bPUqp6tZpe9ab7A2TozBpX9hthZ7wXhxqQfypRnhiiW5hyqHBNhNv6nwCKnGPAHHWoCikCpStAndD",
    "created_at": "2026-06-17T17:20:46.356625+00:00",
    "completed_at": "2026-06-17T17:22:14.236905+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/04164e25-fc38-4ed8-b4aa-09d11a4790c4.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_723b4182721b4548bd90145fcc066acb",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.614,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.494,
          0.734
        ],
        "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": 0.339,
        "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": [
          0.229,
          0.449
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.312,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.272,
          0.353
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.375,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.335,
          0.415
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.34,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.23,
          0.45
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.472,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.362,
          0.582
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-17T17:20:53.961006+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 16,
    "synthesis_hints": [
      "high absolute charge density; validate purification conditions"
    ],
    "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": 16,
      "sequence_sha256": "1bdd9a26c49fe72776aa3a8ebd7638cdebaac5f4db491350d40fc32de70a3dd0"
    },
    "output": {
      "report_sha256": "a2fc66a334aa8db4459a3e97ca18ddc8c0aae0ea551435732403e9c65940d9e8"
    },
    "run_id": "run_723b4182721b4548bd90145fcc066acb",
    "timestamp": "2026-06-17T17:20:53.961162+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": "all loop, no commitment. wildly basic too, four arginines and four lysines packed into sixteen residues, the thing is practically glowing with positive charge. probably binds nucleic acids and calls it a day.",
  "tweet": {
    "id": "2067296773685879220",
    "url": "https://x.com/pepfoldagent/status/2067296773685879220"
  }
}