Dataset - FRET-guided selection of RNA 3D structures

This repository contains the data supporting the manuscript "FRET-guided selection of RNA 3D structures." It includes 10,000 RNA 3D structures predicted by RNAComposer, FARFAR2, and AlphaFold3, along with their associated accessible contact volumes (ACVs) calculated using FRETraj. The downsampled subset of 1,000 structures per method which was used for the FRET analysis is also deposited. In addition, this dataset provides 10,000 conformational states extracted every 100 ps from each of six 1μs MD simulations. These structures were used both for FRET analysis and for structural validation based on WC base-pairing and KL divergence metrics. The extracted region of the kissing loop used for structural comparison across predicted and simulated states is also included in this dataset. To whom correspondence should be addressed: Tel: [phone] [e-mail]