Phase 5l selection gate — K1141 fragment ladder
Evaluates 4 fragment lengths × 2 variants on AF3 server outputs vs Phase 5d snap_010 (full-length E1659A MD-relaxed). Gate: pocket-pLDDT ≥ 80, K1141-ring Cα RMSD < 1.5 Å, whole-fragment Cα RMSD < 2.5 Å.
| Fragment (aa) | Variant | pocket pLDDT | ring pLDDT | frag RMSD (Å) | ring RMSD (Å) | pTM | rank-score | Verdict |
|---|---|---|---|---|---|---|---|---|
| 121 | wt | 81.5 | 81.1 | 8.50 | 5.85 | 0.51 | 0.60 | ❌ FAIL |
| 121 | e1659a | 84.1 | 83.7 | 8.22 | 3.35 | 0.60 | 0.69 | ❌ FAIL |
| 151 | wt | 78.0 | 78.2 | 5.38 | 1.94 | 0.64 | 0.71 | ❌ FAIL |
| 151 | e1659a | 78.7 | 78.7 | 4.87 | 0.97 | 0.65 | 0.73 | ❌ FAIL |
| 181 | wt | 80.8 | 80.6 | 6.57 | 2.65 | 0.67 | 0.73 | ❌ FAIL |
| 181 | e1659a | 79.1 | 78.8 | 6.08 | 2.48 | 0.65 | 0.71 | ❌ FAIL |
| 221 | wt | 81.7 | 81.7 | 5.23 | 1.32 | 0.73 | 0.81 | ❌ FAIL |
| 221 | e1659a | 81.6 | 81.5 | 5.55 | 1.40 | 0.73 | 0.81 | ❌ FAIL |
No fragment passes the strict gate.