Fig. 2: DENV-2 NS2B/NS3proS135A amide backbone, ¹⁵N(H), dynamic parameters of the NS3proS135A and co factor NS2B obtained on 600 MHz spectrometers.

The relaxation parameters for the NS3proS135A (a–c) and NS2B (d–f) are presented according to the following: Longitudinal relaxation rate R₁(s⁻¹) for NS3proS135A and NS2B are presented in (a) and (d), respectively. The transverse relaxation time R₂(s⁻¹) for NS3proS135A (and NS2B are presented in (b) and (e). Heteronuclear ¹H−¹⁵N NOE values for NS3proS135A and NS2B are shown in (c) and (f). The experimentally obtained R₁(s⁻¹), R₂(s⁻¹) and NOE values are presented by grey solid brackets. The theoretically predicted dynamic parameters R₁, R₂ and NOE, obtained through five trajectories, are displayed by solid lines and coloured in green, light blue, red, dark blue and dashed black for ensembles I, II, III, IV and V, respectively. NS2B regions corresponding to residues 72-95 are extended in boxes shown with red point lines within (d–f). The theoretical profiles of relaxation rates simulated as a function of overall correlation tumbling τ_c, internal motion τ_e and amplitude S² are presented in the right panels of NS2B. The error bars of the experimental data are one σ from the curve fitting and for the predicted parameters from the bootstrapping analysis.