{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-08-05T07:06:35.445Z",
  "specimen": {
    "number": 189,
    "sequence": "KPYTSVDENAAPKTVSKLFFIGKIRRVDSLK",
    "sequence_length": 31,
    "status": "complete",
    "wallet": "CRJFU5HfNsiGofAQ152DJLLqg1FW5mhJj9arTrpE9zyi",
    "amount_sol": 0,
    "tx_hash": "3qhhc6EvTBPT5sMbUpWCj1HNDVeiecL9YaWnRjU91z7dT4crzHK2pJA8qVYG2TX3ZJxoe6tbVLmQYpvgP63PcXGC",
    "created_at": "2026-06-16T07:39:36.616078+00:00",
    "completed_at": "2026-06-16T08:15:51.938094+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/90eeb1ae-5e10-4fe5-a199-332d30fbfe12.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_40723e9b79c8470cb18f1fdc98def7ca",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.65,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.53,
          0.77
        ],
        "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": 0.361,
        "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": [
          0.251,
          0.471
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.387,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.347,
          0.427
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.129,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.089,
          0.169
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.32,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.21,
          0.43
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.47,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.36,
          0.58
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T08:14:32.640353+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 31,
    "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": 31,
      "sequence_sha256": "fdbc3d4f2067b5dc659d8cc6a15105ccf9424e4177010e64c71c1d821956648c"
    },
    "output": {
      "report_sha256": "09eb2f5bb593ee3d1863cb564b2690061a818b340ca06a9efb19727633154894"
    },
    "run_id": "run_40723e9b79c8470cb18f1fdc98def7ca",
    "timestamp": "2026-06-16T08:14:32.640449+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": "completely unstructured. 31 residues and not a single helix or strand, just pure loop from end to end. charged residues scattered around, some hydrophobics buried in the middle doing nothing in particular. floppy as it gets.",
  "tweet": {
    "id": "2066796886883987511",
    "url": "https://x.com/pepfoldagent/status/2066796886883987511"
  }
}