Human RPA is an essential telomerase processivity factor for maintaining telomeres

TERT-RPA32OB-TPP1OB_relaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000.pdb - Original AlphaFold2(AF2)-Multimer model which was combined with PDB 7TRE to build the initial MD starting structure. 

WT_initial_7TRE_TERT_TPP1_RNA_AF2_RPA32OB_TEN.pdb - Hybrid AF2 + 7TRE model prepared for simulations (no hydrogens; no solvent). 

ioned_solv_dodec_WT_initial_7TRE_TERT_TPP1_RNA_AF2_RPA32OB_TEN.gro - Explicit-solvent GROMACS coordinates of the full system (with hydrogens, water, and ions) used to run MD. 

first_frame_WT_TERT_TPP1_RNA_RPA32OB.pdb - Energy-minimized, equilibrated structure used as the starting coordinates for production MD (with hydrogens; no solvent).

md_200_ns_[1-10]_traj.tpr - Binary GROMACS inputs for trajectories 1–10; contain all parameters, topology, and coordinates required by mdrun command.

rot_trans_compact_md_200_ns_[1-10]_traj_WT_TERT_TPP1_RNA_RPA32O.xtc - Solute-only coordinate trajectories (10 × 200 ns), post-processed to remove global rotation/translation and compact frames. 

cat_10_traj_200_ns_WT_TERT_TPP1_RNA_RPA32OB.xtc - Concatenated solute-only trajectory (10 × 200 ns total) for cross-trajectory contact analysis with g_contacts.

md_200_ns.mdp - GROMACS MD parameter file used to generate the .tpr inputs. 

index.ndx - GROMACS index file defining atom groups (selections) for system subsets. 

g_contacts.sh - Shell script to compute and filter TEN–RPA32 contact frequencies from the concatenated trajectory. Note: need “g_contacts” software from https://10.1016/j.cpc.2013.07.018

sort_filtered_05_resid_contacts_RPA32_TERT_cat_WT_TERT_TPP1_RNA_RPA32OB.dat - Output table of TERT–RPA32 residue contacts filtered at frequency ≥ 0.5 (format: TERT-RPA32 FREQ).

fold_2025_01_22_telomerase_trcat_5xtel_ttag_rpa_tpp1pot1_2mg_10k_model_0.cif - AlphaFold3-Multimer prediction of the TERT+TR(catalytic domain)+RPA+TPP1+POT1+(TTAGGG)5TTAG assembly with two magnesium and ten potassium ions.