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***  1HTM_unrelaxed_rank_001_alphafold2_ptm_model_3_seed_000  ***

B-factor analysis for ID 240220085711142981

Overall B-factor prediction

Correlation= -0.847 for 5 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   THR      1      0.1809     70.5677     74.2500
     9 CA   LEU      2      0.1056     69.6468     70.1900
    17 CA   CYS      3      0.1740     70.4828     73.9400
    23 CA   LEU      4      0.0806     69.3411     73.7500
    31 CA   GLY      5      0.7863     77.9715     65.8800

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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.