Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Comparison of the root-mean-square fluctuation (RMSF) for backbone atoms (N, Cα and C) from MD simulation and crystallographic B factors determined for the same residues in the structure of racemic Pin1 WW domain cocrystallized with dl-malate. The largest fluctuations predicted by simulation in aqueous solution correspond to loop I residues (17–20), whereas the values of the B factors determined for these residues do not differ significantly from the structure average.
