CNRS Nantes University US2B US2B
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.


***    ***

B-factor analysis for ID 2403090107092413824

Overall B-factor prediction

Correlation= 0.659 for 28 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   VAL     31      0.1880      5.2280      4.5300
     9 CA   TYR     32      0.2487      5.2967      4.3500
    21 CA   SER     60      0.1989      5.2403      2.7600
    27 CA   GLN     78      0.1455      5.1799      2.9400
    36 CA   PRO    110      0.3614      5.4242      7.0000
    45 CA   GLU    111      0.0596      5.0826      4.3800
    54 CA   VAL    112      0.1425      5.1765      5.6500
    60 CA   ARG    118      1.1491      6.3155      8.8500
    68 CA   ARG    133      1.1200      6.2825      6.0900
    77 CA   GLY    137      0.0339      5.0536      6.9700
    81 CA   ASP    138      0.0607      5.0839      6.4200
    89 CA   SER    141      0.1077      5.1371      5.3500
    95 CA   GLY    142      0.1043      5.1332      4.5500
    99 CA   THR    143      0.0429      5.0637      4.4400
   105 CA   GLU    144      0.1706      5.2083      6.4800
   111 CA   ARG    166      0.4497      5.5241      9.1600
   120 CA   VAL    167      0.2316      5.2773      6.7900
   127 CA   SER    168      0.2331      5.2790      8.0800
   133 CA   ALA    169      0.2488      5.2968      8.7700
   137 CA   ASP    182      0.8623      5.9909      8.7700
   143 CA   PHE    185      0.1194      5.1504      4.7300
   154 CA   TYR    186      0.0561      5.0787      5.1900
   166 CA   THR    187      0.0378      5.0580      1.2500
   173 CA   VAL    188      0.0348      5.0547      3.4600
   179 CA   GLU    258      3.3871      8.8478      6.6500
   185 CA   GLU    259      3.8704      9.3947      7.4700
   191 CA   ARG    305      6.1357     11.9580      9.9500
   199 CA   GLU    309      9.6228     15.9037     12.6900

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: April 25th, 2023.