Quantitative estimation of the secondary structure contents for the EcRDBD_WT, EcRDBD mutants and UspDBD.

Calculation were carried out for the 119-amino acid EcRDBD polypeptide and for the 106-amino acid UspDBD polypeptide spectra at 20°C. The SELCON3, CDSSTR and CONTIN/LL programs were used and results were averaged. RMSD is a CONTIN/LL fit parameter, with low values indicative of close correspondence between calculated secondary structure and experimental data [23].本研究针对119个氨基酸残基组成的EcRDBD多肽与106个氨基酸残基组成的UspDBD多肽的光谱数据，于20℃条件下开展了计算分析。本研究采用SELCON3、CDSSTR及CONTIN/LL三款程序进行计算，并对所得结果进行了平均化处理。均方根偏差（RMSD）是CONTIN/LL程序的拟合参数，其数值越低，代表计算得到的二级结构与实验数据之间的契合度越高[23]。