Figure 1.

A: The time‐development of the backbone (N, C, C_α atoms) positional fluctuations of the unbound Src SH2 domain simulated in TIP3P (black), GBMVII (red), FACTS (blue), and SCPISM (green) solvent models. For an indicated time interval, backbone positional fluctuations were calculated, and then ensemble‐averaged over 102 residues and forty 10‐ns trajectories. The inset corresponds to the section bounded by dashed lines and shows the time‐development of backbone positional fluctuations at short timescale. B: Ribbon structure of Src SH2 domain with α‐helices in magenta, β‐sheets in yellow, loops and turns in cyan. The flexible loops are labeled according to their topological nomenclature. C: Residue averages of the backbone (N, C, C_α atoms) positional fluctuations of the unbound Src SH2 domain obtained from forty 10‐ns simulations in TIP3P (black), GBMVII (red), FACTS (blue), and SCPISM (green) solvent models.