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***  IDA_27-  ***

B-factor analysis for ID 220124144316107524

Overall B-factor prediction

Correlation= 0.046 for 51 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     27     64.3660     94.7863     57.2900
     7 CA   ARG     28     50.5683     86.0709     59.0500
    18 CA   ILE     29     49.2083     85.2118     52.2900
    26 CA   GLY     30     35.6035     76.6183     55.6300
    30 CA   ALA     31     31.4856     74.0171     54.5600
    35 CA   THR     32     20.9359     67.3534     51.9300
    42 CA   MET     33     17.8126     65.3806     52.8500
    50 CA   GLU     34     13.8559     62.8813     55.7500
    59 CA   MET     35      9.1517     59.9098     53.0800
    67 CA   LYS     36      8.8156     59.6976     51.8900
    76 CA   LYS     37      4.8739     57.2078     51.0300
    85 CA   ASN     38      5.1716     57.3958     56.0100
    93 CA   ILE     39      2.7732     55.8808     57.4400
   101 CA   LYS     40      4.7798     57.1483     55.9800
   110 CA   ARG     41      7.7900     59.0497     56.0700
   121 CA   LEU     42      6.8550     58.4591     54.9500
   129 CA   THR     43      6.1254     57.9982     56.1600
   136 CA   PHE     44     10.1830     60.5612     57.7000
   147 CA   LYS     45     14.4523     63.2580     60.9900
   156 CA   ASN     46     16.3426     64.4520     60.7000
   164 CA   SER     47     16.0874     64.2908     61.4500
   170 CA   HIS     48     22.6568     68.4404     64.7800
   180 CA   ILE     49     22.4288     68.2964     69.5700
   188 CA   PHE     50     30.6898     73.5145     75.3100
   199 CA   GLY     51     32.6646     74.7619     72.2600
   203 CA   TYR     52     23.2277     68.8010     74.5000
   215 CA   LEU     53     19.2708     66.3016     73.4000
   223 CA   PRO     54     14.6582     63.3881     70.0300
   230 CA   LYS     55     16.5323     64.5718     79.3800
   239 CA   GLY     56     15.8719     64.1547     82.0300
   243 CA   VAL     57     13.5552     62.6913     80.1700
   250 CA   PRO     58     16.2398     64.3871     82.0600
   257 CA   ILE     59     17.1719     64.9759     80.8300
   265 CA   PRO     60     17.7873     65.3646     83.3200
   272 CA   PRO     61     21.1655     67.4984     85.7200
   279 CA   SER     62     20.8788     67.3173     85.9500
   285 CA   ALA     63     23.3523     68.8797     86.8000
   290 CA   PRO     64     20.7845     67.2577     85.0900
   297 CA   SER     65     22.1815     68.1402     85.0400
   303 CA   LYS     66     25.7260     70.3791     81.5600
   312 CA   ARG     67     21.0969     67.4551     82.6200
   323 CA   HIS     68     10.8286     60.9691     81.9200
   333 CA   ASN     69     12.1695     61.8160     78.7900
   341 CA   SER     70      9.6129     60.2012     79.1800
   347 CA   PHE     71     12.2300     61.8543     77.8100
   358 CA   VAL     72     19.1340     66.2152     78.6700
   365 CA   ASN     73     28.0913     71.8731     73.9900
   373 CA   SER     74     43.0728     81.3363     71.7300
   379 CA   LEU     75     60.1512     92.1239     76.8100
   387 CA   PRO     76     81.5120    105.6166     74.1900
   394 CA   HIS     77     96.9986    115.3988     65.3000

If you find results from this site helpful for your research, please cite one of our papers:

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: October 18th, 2018.