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***  EXP_1TME_unrelaxed_rank_001_alphafold2_ptm_model_2_seed_000  ***

B-factor analysis for ID 24021912501950589

Overall B-factor prediction

Correlation= -0.955 for 25 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   SER      1      0.9509    120.0710     62.4700
     8 CA   GLY      2      0.6252    107.2168     76.8800
    12 CA   ASN      3      0.1625     88.9555     88.2500
    20 CA   GLU      4      0.1271     87.5607     93.1900
    29 CA   GLY      5      0.1929     90.1560     91.0000
    33 CA   VAL      6      0.0977     86.4007     93.0600
    40 CA   ILE      7      0.0741     85.4690     94.9400
    48 CA   ILE      8      0.0761     85.5464     94.8100
    56 CA   ASN      9      0.0892     86.0627     94.5600
    64 CA   ASN     10      0.1040     86.6458     95.2500
    72 CA   PHE     11      0.0976     86.3952     96.3100
    83 CA   TYR     12      0.0918     86.1669     95.8100
    95 CA   SER     13      0.1136     87.0255     96.1200
   101 CA   ASN     14      0.1088     86.8364     94.1200
   109 CA   GLN     15      0.1032     86.6148     94.4400
   118 CA   TYR     16      0.0872     85.9840     94.8800
   130 CA   GLN     17      0.0663     85.1605     94.6200
   139 CA   ASN     18      0.0674     85.2030     92.0000
   147 CA   SER     19      0.0681     85.2326     89.8800
   153 CA   ILE     20      0.0631     85.0346     92.1200
   161 CA   ASP     21      0.0804     85.7176     91.6900
   169 CA   LEU     22      0.1406     88.0912     89.6200
   177 CA   SER     23      0.2240     91.3839     89.8800
   183 CA   ALA     24      0.3327     95.6742     83.1900
   188 CA   SER     25      0.5481    104.1751     69.6900

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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.