Fig. 4

Protein structure modeling and molecular dynamic measurement of rs1047989 in HLA-DQA1. (A) Structures of the L8M and WT proteins. (B) Secondary structures of the L8M and WT proteins. (C) RMSD used to measure the ligand stability of the L8M and WT proteins. (D) Structural fluctuations of local amino acids. (E) Evaluation of the tightness of the architecture. (F) Measurement of the surface area of HLA-DQA1. L8M, mutant amino acid change in HLA-DQA1; WT, wild-type HLA-DQA1; RMSD, root-mean-square deviation; RMSF, root-mean-square fluctuation; Rg, radius of gyration; SASA, solvent accessible surface area