生物医学与环境科学（英文版）
生物醫學與環境科學（英文版）
생물의학여배경과학（영문판）
Biomedical and Environmental Sciences
2015年
9期
634-641
,共8页
Flexibility%Cry1Aa%Bacillus thuringiensis%Constraint Network Analysis%NMSim
Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1Aa. <br> Methods The graph theory-based program Constraint Network Analysis and normal mode-based program NMsim were used to analyze the global and local flexibility indices as well as the fluctuation of individual residues in detail. <br> Results The decrease in Cry1Aa network rigidity with the increase of temperature was evident. Two phase transition points in which the Cry1Aa structure lost rigidity during the thermal simulation were identified. Two rigid clusters were found in domains I and II. Weak spots were found in C-terminal domain III. Several flexible regions were found in all three domains;the largest residue fluctuation was present in the apical loop2 of domain II. <br> Conclusion Although several flexible regions could be found in all the three domains, the most flexible regions were in the apical loops of domain II.
