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***  A5SZQ  ***

B-factor analysis for ID 2401182157531717838

Overall B-factor prediction

Correlation= -0.085 for 34 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   ASN      1      0.9064     97.0678     76.5000
    10 CA   ALA      2      0.7860     94.7053     83.5600
    15 CA   PRO      3      0.2468     84.1230     88.3800
    22 CA   VAL      4      0.1535     82.2925     90.9400
    29 CA   PHE      5      0.0989     81.2198     92.1200
    40 CA   THR      6      0.1724     82.6637     90.2500
    47 CA   GLN      7      0.2083     83.3674     91.5600
    56 CA   PRO      8      0.3425     86.0001     88.9400
    63 CA   GLU      9      0.3586     86.3160     93.6900
    72 CA   TYR     10      0.3168     85.4974     93.5000
    84 CA   HIS     11      0.4329     87.7745     94.8800
    94 CA   ILE     12      0.4858     88.8137     92.3800
   102 CA   SER     13      0.6160     91.3677     94.6200
   108 CA   VAL     14      0.3461     86.0714     93.3100
   115 CA   LYS     15      0.6404     91.8463     93.9400
   124 CA   GLU     16      1.2268    103.3554     92.3800
   133 CA   ASN     17      1.1933    102.6979     95.3100
   141 CA   LEU     18      0.4204     87.5307     95.0000
   149 CA   PRO     19      0.7175     93.3599     95.7500
   156 CA   VAL     20      1.4166    107.0804     95.5000
   163 CA   GLY     21      1.6504    111.6676     95.2500
   167 CA   THR     22      0.4769     88.6390     95.0600
   174 CA   ARG     23      0.7165     93.3409     94.5000
   185 CA   LEU     24      0.4007     87.1426     93.7500
   193 CA   LEU     25      0.6519     92.0731     93.0600
   201 CA   THR     26      0.7411     93.8239     93.5600
   208 CA   ILE     27      0.4232     87.5840     92.4400
   216 CA   LYS     28      0.3021     85.2079     91.1900
   225 CA   ALA     29      0.1263     81.7575     91.5000
   230 CA   THR     30      0.1260     81.7516     91.5000
   237 CA   ASP     31      0.1921     83.0488     90.8800
   245 CA   PRO     32      0.4417     87.9471     76.1900
   252 CA   ASP     33      0.7509     94.0159     78.2500
   260 CA   GLU     34      0.9325     97.5791     59.0900

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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.