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.


***  HYDROLASE 16-JAN-97 1LOZ  ***

B-factor analysis for ID 2407290647301925554

Overall B-factor prediction

Correlation= 0.404 for 130 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   LYS      1      0.0251     11.7899     13.7700
    11 CA   VAL      2      0.0271     12.0305     11.8000
    18 CA   PHE      3      0.0151     10.6447     12.2800
    29 CA   GLU      4      0.0313     12.5053     12.2300
    38 CA   ARG      5      0.0169     10.8560      7.2500
    49 CA   CYS      6      0.0181     10.9894      8.0700
    55 CA   GLU      7      0.0203     11.2427      7.7300
    64 CA   LEU      8      0.0109     10.1560      6.3600
    72 CA   ALA      9      0.0111     10.1874      8.0300
    77 CA   ARG     10      0.0202     11.2300     11.9500
    88 CA   THR     11      0.0163     10.7865      7.5600
    95 CA   LEU     12      0.0109     10.1641      5.9200
   103 CA   LYS     13      0.0177     10.9472      9.6500
   112 CA   ARG     14      0.0490     14.5411     14.1600
   123 CA   LEU     15      0.0206     11.2772      8.8600
   131 CA   GLY     16      0.0245     11.7264     10.1100
   135 CA   MET     17      0.0112     10.1990     11.8200
   143 CA   ASP     18      0.0172     10.8827     14.5500
   151 CA   GLY     19      0.0267     11.9839     11.2000
   155 CA   TYR     20      0.0171     10.8783     10.8700
   167 CA   ARG     21      0.0313     12.5089     11.6600
   178 CA   GLY     22      0.1912     30.9155      8.4400
   182 CA   ILE     23      0.0154     10.6741      6.0500
   190 CA   SER     24      0.0171     10.8691     11.8300
   196 CA   LEU     25      0.0095      9.9995      8.0300
   204 CA   ALA     26      0.0105     10.1173      7.5600
   209 CA   ASN     27      0.0081      9.8399      8.2900
   217 CA   TRP     28      0.0061      9.6070      5.2400
   231 CA   MET     29      0.0062      9.6195      8.2800
   239 CA   CYS     30      0.0077      9.7875      7.5500
   245 CA   LEU     31      0.0066      9.6641      8.4500
   253 CA   ALA     32      0.0080      9.8229      8.2700
   258 CA   LYS     33      0.0109     10.1646      9.0300
   267 CA   TRP     34      0.0172     10.8862     10.1400
   281 CA   GLU     35      0.0108     10.1520      7.5200
   290 CA   SER     36      0.0124     10.3289      8.8100
   296 CA   GLY     37      0.0156     10.7041     12.5500
   300 CA   TYR     38      0.0137     10.4873     11.0100
   312 CA   ASN     39      0.0154     10.6827      9.1000
   320 CA   THR     40      0.0134     10.4507      8.2100
   327 CA   ARG     41      0.0195     11.1460     16.0600
   338 CA   ALA     42      0.0149     10.6210     11.8100
   343 CA   THR     43      0.0244     11.7169     16.4600
   350 CA   ASN     44      0.0394     13.4401     19.0200
   358 CA   TYR     45      0.0474     14.3564     15.8100
   370 CA   ASN     46      0.0620     16.0437     21.8800
   378 CA   ALA     47      0.1450     25.5918     23.3800
   383 CA   GLY     48      0.3557     49.8372     16.4400
   387 CA   ASP     49      0.0966     20.0272     14.2800
   395 CA   ARG     50      0.0639     16.2598     14.4400
   406 CA   SER     51      0.0249     11.7771     12.4500
   412 CA   THR     52      0.0150     10.6348      5.7200
   419 CA   ASP     53      0.0127     10.3683      4.9600
   427 CA   TYR     54      0.0098     10.0304      8.8900
   439 CA   GLY     55      0.0103     10.0894      9.7600
   443 CA   THR     56      0.0084      9.8702     11.7100
   450 CA   PHE     57      0.0075      9.7720     10.7200
   461 CA   GLN     58      0.0108     10.1503      8.3700
   470 CA   ILE     59      0.0078      9.8065      9.4500
   478 CA   ASN     60      0.0123     10.3194      9.7600
   486 CA   SER     61      0.0100     10.0603     10.2400
   492 CA   ARG     62      0.0203     11.2376     15.9800
   503 CA   TYR     63      0.0201     11.2163     18.1500
   515 CA   TRP     64      0.0110     10.1688     12.2000
   529 CA   CYS     65      0.0099     10.0493      9.5800
   535 CA   ASN     66      0.0167     10.8299     12.0000
   543 CA   ASP     67      0.0254     11.8283      9.6400
   551 CA   GLY     68      0.2217     34.4219     12.1500
   555 CA   LYS     69      0.0596     15.7713     14.3200
   564 CA   THR     70      0.0322     12.6124     13.1200
   571 CA   PRO     71      0.0851     18.7041     15.7300
   578 CA   GLY     72      0.2262     34.9397     24.3900
   582 CA   ALA     73      0.0312     12.4945     24.1800
   587 CA   VAL     74      0.0410     13.6210     26.2700
   594 CA   ASN     75      0.0215     11.3772     18.4700
   602 CA   ALA     76      0.0229     11.5379     12.2600
   607 CA   CYS     77      0.0174     10.9101     16.2000
   613 CA   HIS     78      0.0500     14.6610     18.0000
   623 CA   LEU     79      0.0186     11.0479     15.3900
   631 CA   SER     80      0.0232     11.5794     10.5000
   637 CA   CYS     81      0.0128     10.3844      8.8100
   643 CA   SER     82      0.0281     12.1432      6.1300
   649 CA   ALA     83      0.0208     11.2983      9.3800
   654 CA   LEU     84      0.0100     10.0593     13.4200
   662 CA   LEU     85      0.0154     10.6790     10.5400
   670 CA   GLN     86      0.0233     11.5903      9.4000
   679 CA   ASP     87      0.0288     12.2214      8.5300
   687 CA   ASN     88      0.0364     13.0950     10.2100
   695 CA   ILE     89      0.0143     10.5566     11.7000
   703 CA   ALA     90      0.0270     12.0166      7.0800
   708 CA   ASP     91      0.0189     11.0787     10.5900
   716 CA   ALA     92      0.0102     10.0847     10.9800
   721 CA   VAL     93      0.0119     10.2735      8.0100
   728 CA   ALA     94      0.0147     10.5986      9.6600
   733 CA   CYS     95      0.0101     10.0724      8.9100
   739 CA   ALA     96      0.0090      9.9473      6.3600
   744 CA   LYS     97      0.0115     10.2258      5.7600
   753 CA   ARG     98      0.0146     10.5886     12.0700
   764 CA   VAL     99      0.0115     10.2253      9.8600
   771 CA   VAL    100      0.0126     10.3513     12.0200
   778 CA   ARG    101      0.0213     11.3610     18.8800
   789 CA   ASP    102      0.0310     12.4790     25.6500
   797 CA   PRO    103      0.1095     21.5091     35.1800
   804 CA   GLN    104      0.0545     15.1794     26.5100
   813 CA   GLY    105      0.0229     11.5404     14.0400
   817 CA   ILE    106      0.0128     10.3821     14.0000
   825 CA   ARG    107      0.0261     11.9150     18.5700
   836 CA   ALA    108      0.0251     11.8001     15.7300
   841 CA   TRP    109      0.0173     10.8944     10.3900
   855 CA   VAL    110      0.0399     13.4938     15.5400
   862 CA   ALA    111      0.0222     11.4661     10.9600
   867 CA   TRP    112      0.0148     10.6078      9.0900
   881 CA   ARG    113      0.0260     11.9022     10.4400
   892 CA   ASN    114      0.0416     13.6911     12.3400
   900 CA   ARG    115      0.0253     11.8206     12.4900
   911 CA   CYS    116      0.0163     10.7846     11.2500
   917 CA   GLN    117      0.0314     12.5239     14.0900
   926 CA   ASN    118      0.0996     20.3656     23.4900
   934 CA   ARG    119      0.0544     15.1665     18.8800
   945 CA   ASP    120      0.1033     20.7948     25.8300
   953 CA   VAL    121      0.0204     11.2502     19.2300
   960 CA   ARG    122      0.0594     15.7474     25.4900
   971 CA   GLN    123      0.0325     12.6427     21.4700
   980 CA   TYR    124      0.0127     10.3671     14.8900
   992 CA   VAL    125      0.0175     10.9255     14.6300
   999 CA   GLN    126      0.0456     14.1534     23.6900
  1008 CA   GLY    127      0.1601     27.3316     16.5000
  1012 CA   CYS    128      0.0306     12.4306     11.9200
  1018 CA   GLY    129      0.1026     20.7153     14.3800
  1022 CA   VAL    130      0.0414     13.6714     24.3300

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.