Residue-by-residue B-factor prediction for CA atoms
B-factors are computed based on the first 100 normal modes (B-PREDICT)
and are scaled to match the overall B-factors in the submitted model (B-SCALED).
A high correlation with the observations is an indicator that the normal modes capture well the
overall flexibility features of the model.
Comparison of the observed (B-OBS, blue) and the
computed (B-SCALED, red) B-factors for
all C-alpha atoms is presented below.
Differences between B-factors from normal mode analysis
and from X-ray crystallographic data may for example indicate regions where
the protein flexibility is modified due to external factors such as
tight crystall-packing.
ATOM TYP RES RESID B-PREDICT B-SCALED B-OBS
B-SCALED
B-OBS
2 CA THR 1 0.4216 107.4826 108.2000
9 CA LEU 2 0.1829 103.4720 100.7000
17 CA CYS 3 0.3548 106.3605 107.8000
23 CA LEU 4 0.4034 107.1760 108.8000
31 CA GLY 5 1.3636 123.3089 122.3000
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.