CNRS Nantes University UFIP UFIP
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 20112615465264077

Overall B-factor prediction

Correlation= 0.569 for 97 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     23      0.5536    180.4350    181.6200
     7 CA   LEU     24      0.3061    129.5001    163.3900
    15 CA   HIS     25      0.1114     89.4220    128.2600
    25 CA   TRP     26      0.1172     90.6134     87.0900
    39 CA   ARG     27      0.2184    111.4446    122.1300
    44 CA   ALA     28      0.1693    101.3297    131.0300
    49 CA   ALA     29      0.1135     89.8463     87.0900
    54 CA   GLY     30      0.1821    103.9602    114.3600
    58 CA   ALA     31      0.2177    111.3080    137.9700
    63 CA   ALA     32      0.1274     92.7167    132.9000
    68 CA   THR     33      0.1088     88.8715    124.1400
    75 CA   VAL     34      0.1483     97.0029     99.2100
    82 CA   LEU     35      0.1081     88.7269    101.3200
    90 CA   LEU     36      0.0816     83.2918    118.0500
    98 CA   VAL     37      0.0877     84.5270     56.4900
   105 CA   ILE     38      0.0802     82.9972     69.1100
   113 CA   VAL     39      0.0541     77.6134     75.8600
   120 CA   LEU     40      0.0414     75.0011     56.4400
   128 CA   LEU     41      0.0472     76.1938     46.5800
   136 CA   ALA     42      0.0516     77.1032    102.0700
   141 CA   GLY     43      0.0238     71.3857    121.7300
   145 CA   SER     44      0.0181     70.2183     75.7500
   151 CA   TYR     45      0.0325     73.1711     96.4800
   163 CA   LEU     46      0.0348     73.6522     79.9800
   171 CA   ALA     47      0.0177     70.1344    131.7500
   176 CA   VAL     48      0.0298     72.6094    103.3000
   183 CA   LEU     49      0.0639     79.6426     65.7300
   191 CA   ALA     50      0.0560     78.0109     70.8100
   196 CA   GLU     51      0.0514     77.0716    140.7400
   205 CA   ARG     52      0.0840     83.7684    136.1100
   216 CA   GLY     53      0.2085    109.4068    183.5100
   220 CA   ALA     54      0.1840    104.3523    129.6000
   225 CA   PRO     55      0.2500    117.9370     51.6100
   232 CA   GLY     56      0.0828     83.5283     60.7500
   236 CA   ALA     57      0.0660     80.0758    108.8700
   241 CA   GLN     58      0.0690     80.6912    111.1300
   250 CA   LEU     59      0.0277     72.1821     89.3000
   258 CA   ILE     60      0.0579     78.4010     82.8100
   265 CA   THR     61      0.0640     79.6531     80.0000
   272 CA   TYR     62      0.0470     76.1527    139.5100
   284 CA   PRO     63      0.0831     83.5893     78.7300
   291 CA   ARG     64      0.0495     76.6713     60.3100
   296 CA   ALA     65      0.0213     70.8708     93.6800
   301 CA   LEU     66      0.0364     73.9700     69.9400
   309 CA   TRP     67      0.0591     78.6517     68.1200
   323 CA   TRP     68      0.0268     71.9974     65.1000
   337 CA   SER     69      0.0274     72.1279     60.1600
   343 CA   VAL     70      0.0604     78.9094     40.9600
   350 CA   GLU     71      0.0635     79.5521     89.5700
   355 CA   THR     72      0.0445     75.6365     61.8600
   362 CA   ALA     73      0.0587     78.5632     66.9900
   367 CA   THR     74      0.1013     87.3274     48.1800
   374 CA   THR     75      0.1047     88.0343     71.5500
   381 CA   VAL     76      0.1502     97.4086    146.8500
   388 CA   GLY     77      0.1338     94.0188    148.3400
   392 CA   TYR     78      0.1184     90.8618     62.8300
   404 CA   GLY     79      0.1946    106.5531     72.4200
   408 CA   ASP     80      0.0955     86.1418     83.3200
   416 CA   LEU     81      0.0426     75.2529     85.9400
   424 CA   TYR     82      0.0347     73.6326     35.6300
   436 CA   PRO     83      0.0237     71.3599     57.6100
   443 CA   VAL     84      0.0569     78.1958     83.5900
   450 CA   THR     85      0.0629     79.4371     97.1500
   457 CA   LEU     86      0.1023     87.5392    116.1300
   465 CA   TRP     87      0.0724     81.3779     70.7000
   479 CA   GLY     88      0.0296     72.5719     60.4400
   483 CA   ARG     89      0.0416     75.0484     65.6400
   494 CA   CYS     90      0.0695     80.7866     74.8600
   500 CA   VAL     91      0.0328     73.2273     56.7400
   507 CA   ALA     92      0.0311     72.8826     46.9600
   512 CA   VAL     93      0.0716     81.2189     85.0200
   519 CA   VAL     94      0.0651     79.8912     50.5600
   526 CA   VAL     95      0.0396     74.6411     74.9700
   533 CA   MET     96      0.0604     78.9129     80.3300
   541 CA   VAL     97      0.0990     86.8565     79.7900
   548 CA   ALA     98      0.0806     83.0726     43.5400
   553 CA   GLY     99      0.0847     83.9241     51.0000
   557 CA   ILE    100      0.1158     90.3185     85.2000
   565 CA   THR    101      0.1254     92.2968     55.7400
   572 CA   SER    102      0.1035     87.7917     79.0500
   578 CA   PHE    103      0.1141     89.9699     81.6200
   589 CA   GLY    104      0.1631    100.0672     93.9300
   593 CA   LEU    105      0.1020     87.4837     61.6400
   601 CA   VAL    106      0.0943     85.9016     46.8500
   608 CA   THR    107      0.1499     97.3344     75.4700
   615 CA   ALA    108      0.1144     90.0314     84.8400
   620 CA   ALA    109      0.0534     77.4723     66.9000
   625 CA   LEU    110      0.0987     86.7972     62.9300
   633 CA   ALA    111      0.1574     98.8893    102.6900
   638 CA   THR    112      0.0998     87.0334    140.0300
   645 CA   TRP    113      0.0969     86.4308     96.7800
   659 CA   PHE    114      0.2078    109.2694    111.3100
   670 CA   VAL    115      0.2826    124.6481    156.6300
   677 CA   GLY    116      0.2983    127.8958    125.6900
   681 CA   ARG    117      0.4881    166.9621    105.6200
   689 CA   GLU    118      0.8489    241.2323    217.4800
   698 CA   GLN    119      1.4159    357.9491    179.9500

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.