Global Distance Test (GDT-TS) scores.

GDT_TS scores were computed using backbone Cα atoms within the Comparison Residue Ranges, using the representative medoid model [27, 38] of the NMR model ensemble and the first-ranked AF2 model from the set of prediction models, by the method of Zemla [39], using the TMScore program [40] (downloaded from https://zhanggroup.org/TM-score/), as

Here, P1,P2,P4, and P8 are the percent of residues with backbone Cα RMSD’s < 1 Å, < 2Å, < 4 Å, and < 8 Å, respectively, for consensus reliably modeled / well-define residue ranges of the superimposed structure pairs. GDT_TS=100% would mean that all reliably-modeled residues superimpose with backbone Cα RMSD < 1 Å; while GDT_TS of 50% corresponds to an average backbone RMSD of about 4 Å. For brevity, GDT_TS scores are referred to throughout this paper as GDT scores and are reported as real numbers between 0 (0%) and 1.0 (100%).