摘要：
Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1 Aa. 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. Results The decrease in Cry1 Aa network rigidity with the increase of temperature was evident. Two phase transition points in which the Cry1 Aa 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. 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.
作者机构：
[陶美华; 梁法亮; 陈玉婵; 章卫民; 李冬利] Guangdong Open Laboratory of Applied Microbiology, Guangdong Provincial Key Laboratory of Microbial Culture Collection and Application, Guangdong Institute of Microbiology, Guangzhou 510070, China;[赵运林] Dark Tea Institute of Yiyang City, Department of Chemistry and Environment Engineering, Hunan City College, Yiyang 413000, China;[彭晓赟] Guangdong Open Laboratory of Applied Microbiology, Guangdong Provincial Key Laboratory of Microbial Culture Collection and Application, Guangdong Institute of Microbiology, Guangzhou 510070, China, Dark Tea Institute of Yiyang City, Department of Chemistry and Environment Engineering, Hunan City College, Yiyang 413000, China
通讯机构：
[Zhao, Y.-L.] D;Dark Tea Institute of Yiyang City, Department of Chemistry and Environment Engineering, Hunan City College, China
