replica_02_metastable_analysis

Phase 5m TRPM4 LEAD — replica_02 metastable mode analysis

Generated 2026-04-26 from phase5m_trpm4_replica_analysis.py.

Per-replica trajectory summary

Replica	τ (ps)	n_frames	initial min_dist (Å)	max min_dist (Å)	max RMSD (Å)	leaving frame (>6 Å)	displaced frame (RMSD>5 Å)
00	15.8	1	181.4	181.4	0.0	0	—
01	19.9	1	105.2	105.2	0.0	0	—
02	53.4	5	119.0	125.8	34.9	0	1

Replica_02 unique contact residues (frequency Δ ≥ 0.2 vs replicas 00+01)

These are TRPM4 residues that replica_02 contacts substantially more than the fast-unbinding replicas — candidate residues for the metastable secondary mode.

Resname	Resid	Freq rep_02	Freq rep_00+01	Δ
(none — no residue uniquely contacted by rep_02)

Top-10 contact residues per replica

Replica 00 (τ = 15.8 ps)

Resname	Resid	Frames in contact

Replica 01 (τ = 19.9 ps)

Resname	Resid	Frames in contact

Replica 02 (τ = 53.4 ps)

Resname	Resid	Frames in contact

Connections

• [part-of] Phase 5m TRPM4 cross-target τRAMD
• [applies] partial_status.md (this is the trajectory deep-dive that the headline τ_TRPM4/τ_STRC = 1.26× verdict promised)