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***  EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000  ***

B-factor analysis for ID 24021912482947563

Overall B-factor prediction

Correlation= -0.219 for 8 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   PHE      1      0.5894     80.3737     76.5000
    13 CA   HIS      2      0.1650     70.5704     77.6200
    23 CA   GLN      3      0.2508     72.5516     75.2500
    32 CA   ASP      4      0.4952     78.1973     81.1900
    40 CA   VAL      5      0.5632     79.7692     78.1900
    47 CA   GLU      6      0.2552     72.6525     80.0600
    56 CA   ASP      7      0.2773     73.1648     71.6900
    64 CA   ILE      8      0.6395     81.5304     68.3100

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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.