| |
 |
Should you encounter any unexpected behaviour,
please let us know.
|
*** ***
Overall B-factor prediction
%Bfactors-Wn> 0 negative values found in the B-factors column of pdb file.
--
(CHARMM units assumed for eigenvalues)
Bfactors> Normal end.
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 |
If you find results from this site helpful for your research, please cite one of our papers:
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.
|
|
|
|
|
