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.
 elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


***    ***

B-factor analysis for ID 2601162354032738995

Overall B-factor prediction

Correlation= -0.550 for 105 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   LEU      3      0.0510     95.7688     94.1900
    10 CA   VAL      4      0.0575     96.1995     94.6900
    17 CA   GLU      5      0.0546     96.0043     95.1900
    26 CA   LEU      6      0.0252     94.0524     96.3100
    34 CA   ALA      7      0.0179     93.5724     96.5000
    39 CA   ARG      8      0.0248     94.0298     97.3800
    50 CA   ALA      9      0.0243     93.9986     96.8800
    55 CA   THR     10      0.0126     93.2204     97.0600
    62 CA   ILE     11      0.0110     93.1151     97.8100
    70 CA   GLU     12      0.0195     93.6790     97.0600
    79 CA   ALA     13      0.0173     93.5278     96.5600
    84 CA   PHE     14      0.0106     93.0847     96.4400
    95 CA   ARG     15      0.0191     93.6509     96.3800
   106 CA   ALA     16      0.0389     94.9651     94.6900
   111 CA   PHE     17      0.0339     94.6304     93.8100
   122 CA   VAL     18      0.0316     94.4821     93.0600
   129 CA   LYS     19      0.0767     97.4723     91.6900
   138 CA   GLU     20      0.1357    101.3919     91.6200
   147 CA   ASP     27      0.1003     99.0417     94.9400
   155 CA   GLN     28      0.0638     96.6146     94.9400
   164 CA   LYS     29      0.0768     97.4780     95.5000
   173 CA   ARG     30      0.0421     95.1783     96.0600
   184 CA   LEU     31      0.0181     93.5850     96.8100
   192 CA   GLU     32      0.0218     93.8287     96.7500
   201 CA   GLU     33      0.0311     94.4494     97.4400
   210 CA   LYS     34      0.0180     93.5787     97.6200
   219 CA   LEU     35      0.0111     93.1210     97.9400
   227 CA   LYS     36      0.0262     94.1237     97.8800
   236 CA   GLU     37      0.0304     94.3996     98.1200
   245 CA   ALA     38      0.0181     93.5868     97.8800
   250 CA   GLU     39      0.0272     94.1903     97.8100
   259 CA   ALA     40      0.0691     96.9676     97.8800
   264 CA   LEU     41      0.0551     96.0394     97.9400
   272 CA   LEU     42      0.0472     95.5127     97.1200
   280 CA   GLU     48      0.1201    100.3565     94.8800
   289 CA   GLY     49      0.0713     97.1166     96.2500
   293 CA   THR     50      0.0245     94.0095     97.1200
   300 CA   LEU     51      0.0200     93.7122     96.1200
   308 CA   GLN     52      0.0355     94.7414     96.8800
   317 CA   LEU     53      0.0201     93.7185     97.6900
   325 CA   LEU     54      0.0110     93.1132     97.4400
   333 CA   GLU     55      0.0184     93.6030     95.2500
   342 CA   GLU     56      0.0245     94.0061     96.2500
   351 CA   ILE     57      0.0126     93.2205     96.0000
   359 CA   HIS     58      0.0154     93.4037     93.8800
   369 CA   GLU     59      0.0331     94.5764     92.2500
   378 CA   GLU     60      0.0337     94.6168     93.8800
   387 CA   MET     61      0.0287     94.2871     90.6200
   395 CA   HIS     62      0.0684     96.9217     85.5600
   405 CA   ARG     63      0.1626    103.1782     87.0000
   416 CA   VAL     73      0.1282    100.8927     90.6200
   423 CA   GLY     74      0.1192    100.2970     88.8100
   427 CA   ALA     75      0.0964     98.7794     91.5000
   432 CA   ILE     76      0.0345     94.6757     94.2500
   440 CA   HIS     77      0.0273     94.1969     92.0000
   450 CA   GLU     78      0.0403     95.0591     92.6900
   459 CA   ARG     79      0.0282     94.2568     95.5000
   470 CA   MET     80      0.0135     93.2763     95.8100
   478 CA   HIS     81      0.0215     93.8089     93.1900
   488 CA   GLN     82      0.0324     94.5357     96.8800
   497 CA   LEU     83      0.0159     93.4360     97.4400
   505 CA   LEU     84      0.0132     93.2598     95.8800
   513 CA   ALA     85      0.0352     94.7164     94.5600
   518 CA   GLU     86      0.0338     94.6276     97.3800
   527 CA   TYR     87      0.0198     93.6998     96.5600
   539 CA   THR     88      0.0318     94.4952     94.9400
   546 CA   ALA     89      0.0719     97.1553     95.1900
   551 CA   ALA     90      0.0592     96.3152     96.2500
   556 CA   LEU     91      0.0558     96.0877     95.5000
   564 CA   LEU     92      0.1629    103.1943     94.3100
   572 CA   ARG     98      0.1041     99.2902     96.6200
   583 CA   ALA     99      0.0400     95.0402     95.6900
   588 CA   GLU    100      0.0606     96.4057     95.6900
   597 CA   ALA    101      0.0586     96.2701     96.5600
   602 CA   LEU    102      0.0233     93.9297     97.5600
   610 CA   ARG    103      0.0231     93.9143     95.9400
   621 CA   GLU    104      0.0372     94.8550     96.9400
   630 CA   GLU    105      0.0239     93.9716     97.5600
   639 CA   LEU    106      0.0120     93.1810     97.3100
   647 CA   GLU    107      0.0288     94.2953     96.8800
   656 CA   ARG    108      0.0344     94.6683     97.3100
   667 CA   ALA    109      0.0186     93.6153     96.8100
   672 CA   MET    110      0.0190     93.6409     96.8100
   680 CA   LYS    111      0.0486     95.6112     96.9400
   689 CA   GLU    112      0.0449     95.3655     96.3800
   698 CA   LEU    113      0.0358     94.7600     94.4400
   706 CA   LEU    114      0.0665     96.7988     94.6900
   714 CA   GLU    115      0.1483    102.2298     95.7500
   723 CA   ARG    121      0.0350     94.7052     93.5000
   734 CA   PRO    122      0.0160     93.4435     93.5000
   741 CA   ALA    123      0.0169     93.5015     93.0000
   746 CA   VAL    124      0.0180     93.5755     95.7500
   753 CA   LEU    125      0.0169     93.5056     96.7500
   761 CA   LEU    126      0.0126     93.2199     96.3100
   769 CA   ALA    127      0.0148     93.3625     95.8800
   774 CA   GLU    128      0.0185     93.6073     96.0600
   783 CA   LEU    129      0.0164     93.4739     96.5600
   791 CA   ARG    130      0.0189     93.6388     95.3800
   802 CA   ALA    131      0.0185     93.6096     94.5000
   807 CA   ALA    132      0.0297     94.3520     94.2500
   812 CA   ALA    133      0.0391     94.9805     93.8100
   817 CA   ALA    134      0.0366     94.8131     92.6200
   822 CA   ASP    135      0.0503     95.7217     92.2500
   830 CA   ALA    136      0.1364    101.4383     90.8800
   835 CA   LEU    137      0.1559    102.7300     88.2500

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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.