Figure S3.
Dynamic behavior of ABHD17A N-terminus in AA-MD simulations in solution. (A) AF model of ABHD17A with coloring based on pLDDT score. (B) RMSF analysis indicates that the N-terminal helix and the conserved loop (green boxes) are flexible regions. (C) Superimposition of N-terminal domain (residue 1–25) of the AF predicted model before and after AA-MD simulations in solution. (D) Ramachandran plots of ABHD17A N-terminal domain (resid 1–25) before and after AA-MD simulations, highlighting the good stereochemical quality of the model. (E) Secondary structure conservation of the N-terminal domain (resid 1–25) along the MD simulation: the analysis was conducted on a representative replica taken from AA-MD simulations of ABHD17A full-length in solution (legend: G = 3–10 helix, S = Sheet, T = Turn, H = Helix, C = Coil). Refer to the image caption for details.

Dynamic behavior of ABHD17A N-terminus in AA-MD simulations in solution. (A) AF model of ABHD17A with coloring based on pLDDT score. (B) RMSF analysis indicates that the N-terminal helix and the conserved loop (green boxes) are flexible regions. (C) Superimposition of N-terminal domain (residue 1–25) of the AF predicted model before and after AA-MD simulations in solution. (D) Ramachandran plots of ABHD17A N-terminal domain (resid 1–25) before and after AA-MD simulations, highlighting the good stereochemical quality of the model. (E) Secondary structure conservation of the N-terminal domain (resid 1–25) along the MD simulation: the analysis was conducted on a representative replica taken from AA-MD simulations of ABHD17A full-length in solution (legend: G = 3–10 helix, S = Sheet, T = Turn, H = Helix, C = Coil).

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