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***  STRUCTURAL PROTEIN 17-JUL-23 8PUZ  ***

B-factor analysis for ID 2406271123311174200

Overall B-factor prediction

Correlation= -0.093 for 50 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   ALA    149      0.1597    156.3392     51.0700
     7 CA   GLU    150      0.0436     84.7666     51.6200
    16 CA   LEU    151      0.0264     74.1246     56.9900
    24 CA   ASP    152      0.0370     80.6870     57.1100
    32 CA   GLU    153      0.0247     73.1081     57.3300
    41 CA   VAL    154      0.0143     66.6564     65.2200
    48 CA   HIS    155      0.0261     73.9802     63.2400
    58 CA   GLN    156      0.0479     87.3797     80.1900
    67 CA   ALA    157      0.0265     74.1899     81.3400
    72 CA   LEU    158      0.0280     75.1334     87.9600
    80 CA   GLU    159      0.0606     95.2457     98.5800
    89 CA   ASP    160      0.0903    113.5598    130.9400
    97 CA   LEU    161      0.0495     88.3700    110.9300
   106 CA   ALA    149      0.1615    157.4391     53.5500
   111 CA   GLU    150      0.0518     89.8236     56.6000
   120 CA   LEU    151      0.0239     72.5673     57.6000
   128 CA   ASP    152      0.0322     77.7233     68.0300
   136 CA   GLU    153      0.0217     71.2571     64.8600
   145 CA   VAL    154      0.0121     65.3470     68.7600
   152 CA   HIS    155      0.0193     69.7357     78.7800
   162 CA   GLN    156      0.0270     74.5072     84.7300
   171 CA   ALA    157      0.0160     67.7086     88.9000
   176 CA   LEU    158      0.0163     67.8895     89.7900
   184 CA   GLU    159      0.0421     83.8342    104.4200
   193 CA   ASP    160      0.0353     79.6036    110.5800
   201 CA   LEU    161      0.0329     78.1175    114.2600
   210 CA   MET      1      0.0407     82.9848    116.1600
   218 CA   ASP      2      0.0738    103.3931    109.5800
   226 CA   LYS      3      0.0528     90.4008    115.1600
   235 CA   LEU      4      0.0213     71.0112    100.8000
   243 CA   ARG      5      0.0195     69.8647     93.2100
   254 CA   GLU      6      0.0371     80.7329     88.2000
   263 CA   LYS      7      0.0416     83.5239     86.6400
   272 CA   ILE      8      0.0269     74.4737     78.1100
   280 CA   ASN      9      0.0445     85.2970     76.9800
   288 CA   ALA     10      0.1203    132.0238     75.0700
   293 CA   ALA     11      0.0985    118.5762     77.1000
   298 CA   ARG     12      0.1176    130.3621     77.9000
   309 CA   MET      1      0.0303     76.5384    143.5400
   317 CA   ASP      2      0.0745    103.8132    138.5300
   325 CA   LYS      3      0.0469     86.7472    117.2400
   334 CA   LEU      4      0.0154     67.3516    115.1100
   342 CA   ARG      5      0.0262     74.0084    102.7100
   353 CA   GLU      6      0.0411     83.2222    102.6600
   362 CA   LYS      7      0.0239     72.5888    100.8500
   371 CA   ILE      8      0.0262     74.0303     97.6500
   379 CA   ASN      9      0.0509     89.2143    100.0500
   387 CA   ALA     10      0.0842    109.8104     93.4700
   392 CA   ALA     11      0.0963    117.2366     90.3300
   397 CA   ARG     12      0.1403    144.4004     90.2700

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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.