Correlation coefficients between experimental positional flexibility (crystallographic B-factors) and two computational indicators of positional flexibility.

*to compare with B-factor units of Å2, we use RMSD2 because RMSD is in units of Å.**to compare with B-factor units of Å2, we use eentropy because entropy is on a logarithmic scale.*为便于与单位为平方埃（Ų）的B因子（B-factor）进行比较，我们选用均方根偏差平方（RMSD²），原因在于均方根偏差（Root Mean Square Deviation, RMSD）的单位为埃（Å）。**为便于与单位为平方埃（Ų）的B因子（B-factor）进行比较，我们选用eentropy，原因在于熵（entropy）以对数尺度计量。*