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***  estradiol a701e  ***

B-factor analysis for ID 2103290409067522

Overall B-factor prediction

%Bfactors-Wn> Experimental B-factors are nearly constant !

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   VAL      1      2.3942         NaN      0.0100
     9 CA   HIS      2      0.8925         NaN      0.0100
    19 CA   HIS      3      0.4420         NaN      0.0100
    29 CA   GLN      4      0.2026         NaN      0.0100
    38 CA   LYS      5      0.1207         NaN      0.0100
    47 CA   LEU      6      0.1298         NaN      0.0100
    55 CA   VAL      7      0.0875         NaN      0.0100
    62 CA   PHE      8      0.0627         NaN      0.0100
    73 CA   PHE      9      0.1040         NaN      0.0100
    84 CA   ALA     10      0.0821         NaN      0.0100
    89 CA   GLU     11      0.0544         NaN      0.0100
    98 CA   ASP     12      0.1427         NaN      0.0100
   106 CA   VAL     13      0.1631         NaN      0.0100
   113 CA   GLY     14      0.1348         NaN      0.0100
   117 CA   SER     15      0.2323         NaN      0.0100
   123 CA   ASN     16      0.2681         NaN      0.0100
   131 CA   LYS     17      0.2711         NaN      0.0100
   140 CA   GLY     18      0.1675         NaN      0.0100
   144 CA   GLU     19      0.0802         NaN      0.0100
   153 CA   ILE     20      0.1172         NaN      0.0100
   161 CA   ILE     21      0.1112         NaN      0.0100
   169 CA   GLY     22      0.0496         NaN      0.0100
   173 CA   LEU     23      0.0487         NaN      0.0100
   181 CA   MET     24      0.0986         NaN      0.0100
   189 CA   VAL     25      0.0958         NaN      0.0100
   196 CA   GLY     26      0.0511         NaN      0.0100
   200 CA   GLY     27      0.0681         NaN      0.0100
   204 CA   VAL     28      0.1013         NaN      0.0100
   211 CA   VAL     29      0.0930         NaN      0.0100
   218 CA   ILE     30      0.0777         NaN      0.0100
   226 CA   ALA     31      0.0774         NaN      0.0100
   231 CA   THR     32      0.0928         NaN      0.0100
   238 CA   VAL     33      0.0941         NaN      0.0100
   245 CA   ILE     34      0.0709         NaN      0.0100
   253 CA   VAL     35      0.0574         NaN      0.0100
   260 CA   ILE     36      0.0934         NaN      0.0100
   268 CA   THR     37      0.1019         NaN      0.0100
   275 CA   LEU     38      0.0668         NaN      0.0100
   283 CA   VAL     39      0.0980         NaN      0.0100
   290 CA   MET     40      0.1818         NaN      0.0100
   298 CA   LEU     41      0.1677         NaN      0.0100
   306 CA   LYS     42      0.1597         NaN      0.0100
   315 CA   LYS     43      0.2841         NaN      0.0100
   324 CA   LYS     44      0.5965         NaN      0.0100
   333 CA   GLN     45      0.5083         NaN      0.0100
   342 CA   TYR     46      0.7093         NaN      0.0100

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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: October 18th, 2018.