Fig. 3
From: New variants of alpha-1-antitrypsin: structural simulations and clinical expression
Molecular dynamics (MD) trajectory analysis of human AAT1 and identified mutants. A Root mean square fluctuation (RMSF) of Cα atom coordinates throughout 1 μs of MD for the wild-type (WT) human AAT and mutants V210E, N247S, Pi*S + Asp341His and Pi*S + Leu383Phe + Lys394Ile molecular models (color legend). B Cartoon representation of the WT and mutant’s average structures colored according to the fluctuation of atomic coordinates during MD production. Mutated residues at each monomer are displayed as yellow vdW spheres