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 2203030929459476

Overall B-factor prediction

Correlation= 0.040 for 99 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
     5 CA   SER     19      0.1645    165.7033     84.0300
    16 CA   THR     20      0.0756     92.4942     80.9400
    30 CA   ILE     21      0.0345     58.6869     80.5300
    49 CA   GLU     22      0.0319     56.5064     75.3600
    64 CA   GLU     23      0.0340     58.2634     76.0200
    79 CA   GLN     24      0.0223     48.5953     73.9300
    96 CA   ALA     25      0.0111     39.3700     73.5200
   106 CA   LYS     26      0.0194     46.1997     66.8100
   128 CA   THR     27      0.0204     47.0501     66.6500
   142 CA   PHE     28      0.0104     38.7975     63.2700
   162 CA   LEU     29      0.0137     41.5540     68.7800
   181 CA   ASP     30      0.0241     50.0692     64.0300
   193 CA   LYS     31      0.0194     46.2419     68.3900
   215 CA   PHE     32      0.0155     43.0092     60.3700
   235 CA   ASN     33      0.0245     50.3893     58.6400
   249 CA   HIS     34      0.0302     55.1135     67.0700
   266 CA   GLU     35      0.0251     50.9095     66.5100
   281 CA   ALA     36      0.0229     49.0906     60.7600
   291 CA   GLU     37      0.0285     53.7308     59.9700
   306 CA   ASP     38      0.0254     51.1891     59.3600
   318 CA   LEU     39      0.0217     48.0749     64.2300
   337 CA   PHE     40      0.0222     48.5581     61.6900
   357 CA   TYR     41      0.0216     48.0202     58.2900
   378 CA   GLN     42      0.0191     45.9692     59.9800
   395 CA   SER     43      0.0180     45.0698     61.6900
   406 CA   SER     44      0.0154     42.9240     54.5500
   417 CA   LEU     45      0.0106     38.9507     62.1700
   436 CA   ALA     46      0.0098     38.3181     61.7000
   446 CA   SER     47      0.0090     37.6208     68.0600
   457 CA   TRP     48      0.0061     35.2463     62.8200
   481 CA   ASN     49      0.0052     34.5612     65.4800
   495 CA   TYR     50      0.0057     34.9688     70.6000
   516 CA   ASN     51      0.0086     37.2844     71.7200
   530 CA   THR     52      0.0087     37.4392      0.0000
   544 CA   GLN    340      0.0141     41.8583      0.0000
   561 CA   LYS    341      0.0212     47.7193      0.0000
   583 CA   ALA    342      0.0359     59.7673      0.0000
   593 CA   VAL    343      0.0430     65.6819      0.0000
   609 CA   CYS    344      0.0701     87.9599      0.0000
   620 CA   HIS    345      0.0818     97.5841      0.0000
   636 CA   PRO    346      0.0555     75.9889      0.0000
   651 CA   THR    347      0.0409     63.9146     63.0100
   665 CA   ALA    348      0.0359     59.8099     54.0200
   675 CA   TRP    349      0.0244     50.3088     52.1100
   699 CA   ASP    350      0.0312     55.9563     55.5400
   711 CA   LEU    351      0.0211     47.5829     54.9100
   730 CA   GLY    352      0.0334     57.7838     56.1900
   737 CA   LYS    353      0.0452     67.4992     62.0900
   759 CA   GLY    354      0.0745     91.5916     50.3700
   766 CA   ASP    355      0.0302     55.1089     56.0000
   778 CA   PHE    356      0.0334     57.7764     57.6500
   798 CA   ARG    357      0.0224     48.7155     57.2300
   822 CA   ILE    358      0.0285     53.7064     57.5700
   841 CA   LEU    359      0.0201     46.8314     59.1100
   860 CA   MET    360      0.0367     60.4482      0.0000
   877 CA   CYS    361      0.0447     67.0273      0.0000
   888 CA   THR    362      0.0369     60.6441      0.0000
   902 CA   LYS    363      0.0671     85.4952      0.0000
   924 CA   VAL    364      0.0412     64.1335      0.0000
   940 CA   THR    365      0.0555     75.9879      0.0000
   954 CA   MET    366      0.0480     69.8028      0.0000
   971 CA   ILE     54      0.0221     48.4101      0.0000
   990 CA   THR     55      0.0291     54.1880     83.5000
  1004 CA   GLU     56      0.0349     58.9498     88.5800
  1019 CA   GLU     57      0.0296     54.6242     86.5800
  1034 CA   ASN     58      0.0121     40.2185     81.7000
  1048 CA   VAL     59      0.0147     42.3071     78.5800
  1064 CA   GLN     60      0.0242     50.2005     83.1400
  1081 CA   ASN     61      0.0168     44.0421     74.8600
  1095 CA   LYS     62      0.0125     40.5004     74.2200
  1117 CA   ASN     63      0.0228     48.9992     77.0300
  1131 CA   ASN     64      0.0260     51.6452     78.3300
  1145 CA   ALA     65      0.0205     47.1627     72.2000
  1155 CA   GLY     66      0.0234     49.5323     67.3300
  1162 CA   ASP     67      0.0322     56.7299     77.7500
  1174 CA   LYS     68      0.0255     51.2583     72.6500
  1196 CA   LYS     69      0.0230     49.1885     72.6900
  1218 CA   SER     70      0.0310     55.7910     69.4100
  1229 CA   ALA     71      0.0337     58.0197     71.9600
  1239 CA   PHE     72      0.0237     49.7772     66.2500
  1259 CA   LEU     73      0.0245     50.4458     72.1300
  1278 CA   LYS     74      0.0357     59.6725     69.4900
  1300 CA   GLU     75      0.0238     49.8473     75.0400
  1315 CA   GLN     76      0.0175     44.6376     72.4000
  1332 CA   SER     77      0.0299     54.8315     78.3400
  1343 CA   THR     78      0.0307     55.4935     75.1400
  1357 CA   LEU     79      0.0177     44.8408     73.2900
  1376 CA   ALA     80      0.0184     45.3558     77.4900
  1386 CA   GLN     81      0.0388     62.1866     85.6800
  1403 CA   MET     82      0.0354     59.3767     74.2600
  1420 CA   TYR     83      0.0212     47.6733     81.6500
  1440 CA   PRO     84      0.0402     63.3235     89.5200
  1455 CA   LEU     85      0.0347     58.7965     95.7100
  1474 CA   GLN     86      0.0845     99.8077    107.1300
  1491 CA   GLU     87      0.0765     93.2158     97.1100
  1506 CA   ILE     88      0.0634     82.4463     91.4100
  1525 CA   GLN     89      0.1481    152.2217     87.9200
  1542 CA   ASN     90      0.1222    130.9025     84.4800
  1556 CA   LEU     91      0.2520    237.8158     78.4200

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.