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***  CLN025  ***

B-factor analysis for ID 22121402384756360

Overall B-factor prediction

Correlation= 0.323 for 10 C-alpha atoms.

B-factors for all residues

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-SCALEDB-OBS
     2 CA   TYR      1      0.0452      5.3276      7.0500
    14 CA   TYR      2      0.0336      4.9254      4.7700
    26 CA   ASP      3      0.0545      5.6504      5.2700
    34 CA   PRO      4      0.0972      7.1364      5.9400
    41 CA   GLU      5      0.0762      6.4065      7.6500
    50 CA   THR      6      0.0845      6.6929      8.2900
    57 CA   GLY      7      0.1443      8.7737      5.8800
    61 CA   THR      8      0.0564      5.7186      5.6600
    68 CA   TRP      9      0.0350      4.9735      4.7800
    82 CA   TYR     10      0.0489      5.4549      5.7700

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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: October 18th, 2018.