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.


***  6B73.S187.Chol  ***

B-factor analysis for ID 210720075415116992

Overall B-factor prediction

Correlation= 0.453 for 281 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     51      4.4147    287.2468    129.4200
     7 CA   GLY     52      3.0120    219.7780    129.0700
    11 CA   SER     53      2.2859    184.8518    124.0600
    17 CA   ILE     54      1.4119    142.8154    116.6300
    22 CA   SER     55      0.3926     93.7892    105.5600
    28 CA   PRO     56      0.2714     87.9570     99.9000
    35 CA   ALA     57      0.1288     81.1015     89.5300
    40 CA   ILE     58      0.0656     78.0587     78.1200
    48 CA   PRO     59      0.0420     76.9265     70.2900
    55 CA   VAL     60      0.0635     77.9568     70.7700
    62 CA   ILE     61      0.0557     77.5845     68.6400
    70 CA   ILE     62      0.0270     76.2030     66.7700
    78 CA   THR     63      0.0296     76.3263     64.3000
    85 CA   ALA     64      0.0418     76.9137     62.2600
    90 CA   VAL     65      0.0271     76.2092     61.8300
    97 CA   TYR     66      0.0179     75.7641     61.3700
   109 CA   SER     67      0.0329     76.4896     62.6200
   115 CA   VAL     68      0.0397     76.8160     64.9000
   122 CA   VAL     69      0.0171     75.7251     63.8300
   129 CA   PHE     70      0.0153     75.6404     62.8200
   140 CA   VAL     71      0.0248     76.0990     65.4400
   147 CA   VAL     72      0.0242     76.0705     67.1600
   154 CA   GLY     73      0.0145     75.6009     68.7200
   158 CA   LEU     74      0.0166     75.7031     69.8000
   166 CA   VAL     75      0.0290     76.2982     72.9100
   173 CA   GLY     76      0.0191     75.8230     71.8400
   177 CA   ASN     77      0.0118     75.4736     71.0100
   185 CA   SER     78      0.0188     75.8088     76.1100
   191 CA   LEU     79      0.0232     76.0207     80.6700
   199 CA   VAL     80      0.0164     75.6920     80.7900
   206 CA   MET     81      0.0186     75.8017     83.6100
   214 CA   PHE     82      0.0360     76.6382     87.7600
   225 CA   VAL     83      0.0332     76.5036     87.6700
   232 CA   ILE     84      0.0266     76.1845     84.7000
   240 CA   ILE     85      0.0451     77.0731     90.3700
   248 CA   ARG     86      0.0695     78.2456     98.2800
   253 CA   TYR     87      0.0743     78.4806     99.6300
   265 CA   THR     88      0.0522     77.4164     96.4600
   272 CA   LYS     89      0.0547     77.5365     99.5800
   277 CA   MET     90      0.0363     76.6491     96.3000
   285 CA   LYS     91      0.0597     77.7756     96.1400
   294 CA   THR     92      0.0403     76.8408     88.1300
   301 CA   ALA     93      0.0194     75.8392     80.2900
   306 CA   THR     94      0.0186     75.8004     76.7400
   313 CA   ASN     95      0.0186     75.7973     74.0000
   321 CA   ILE     96      0.0157     75.6594     69.2000
   329 CA   TYR     97      0.0085     75.3140     66.3500
   341 CA   ILE     98      0.0104     75.4061     65.3200
   349 CA   PHE     99      0.0114     75.4545     64.5200
   360 CA   ASN    100      0.0112     75.4413     62.5600
   368 CA   LEU    101      0.0077     75.2767     63.4000
   376 CA   ALA    102      0.0084     75.3077     67.2900
   381 CA   LEU    103      0.0097     75.3715     66.9700
   389 CA   ALA    104      0.0084     75.3093     62.5500
   394 CA   ASP    105      0.0084     75.3078     60.1700
   402 CA   ALA    106      0.0097     75.3734     61.9100
   407 CA   LEU    107      0.0093     75.3519     62.9400
   415 CA   VAL    108      0.0086     75.3199     62.6700
   422 CA   THR    109      0.0103     75.4021     64.3600
   429 CA   THR    110      0.0124     75.5026     63.3600
   436 CA   THR    111      0.0117     75.4669     61.3500
   443 CA   MET    112      0.0107     75.4172     61.2200
   451 CA   PRO    113      0.0151     75.6303     63.6700
   458 CA   PHE    114      0.0145     75.6023     62.6500
   469 CA   GLN    115      0.0136     75.5573     62.5300
   478 CA   SER    116      0.0159     75.6693     65.4500
   484 CA   THR    117      0.0220     75.9615     67.6200
   491 CA   VAL    118      0.0194     75.8385     67.4400
   498 CA   TYR    119      0.0198     75.8568     69.3200
   510 CA   LEU    120      0.0271     76.2088     71.8800
   518 CA   MET    121      0.0435     76.9959     76.3100
   526 CA   ASN    122      0.0457     77.1039     81.0000
   534 CA   SER    123      0.0373     76.6966     83.4800
   540 CA   TRP    124      0.0277     76.2384     81.3600
   554 CA   PRO    125      0.0455     77.0916     86.2900
   561 CA   PHE    126      0.0413     76.8934     87.2300
   572 CA   GLY    127      0.0423     76.9378     88.8000
   576 CA   ASP    128      0.0349     76.5855     85.6000
   584 CA   VAL    129      0.0409     76.8700     84.8700
   591 CA   LEU    130      0.0291     76.3021     77.2600
   599 CA   CYS    131      0.0198     75.8587     76.3200
   605 CA   LYS    132      0.0194     75.8376     75.3900
   614 CA   ILE    133      0.0192     75.8264     72.2400
   622 CA   VAL    134      0.0151     75.6329     68.6500
   629 CA   LEU    135      0.0125     75.5056     69.8000
   637 CA   SER    136      0.0125     75.5057     71.8200
   643 CA   ILE    137      0.0108     75.4251     70.1800
   651 CA   ASP    138      0.0100     75.3837     70.2200
   659 CA   TYR    139      0.0100     75.3873     69.7100
   671 CA   TYR    140      0.0098     75.3766     68.5500
   683 CA   ASN    141      0.0078     75.2792     64.8300
   691 CA   MET    142      0.0078     75.2818     63.3700
   699 CA   PHE    143      0.0088     75.3270     63.1700
   710 CA   THR    144      0.0080     75.2897     64.1200
   717 CA   SER    145      0.0070     75.2419     62.8800
   723 CA   ILE    146      0.0074     75.2594     60.9300
   731 CA   PHE    147      0.0082     75.3002     62.1400
   742 CA   THR    148      0.0076     75.2702     62.2000
   749 CA   LEU    149      0.0074     75.2627     64.0600
   757 CA   THR    150      0.0084     75.3080     65.5800
   764 CA   MET    151      0.0090     75.3366     68.9600
   772 CA   MET    152      0.0079     75.2834     71.0600
   780 CA   SER    153      0.0103     75.3994     68.5200
   786 CA   VAL    154      0.0127     75.5145     66.9200
   793 CA   ASP    155      0.0127     75.5133     66.0400
   801 CA   ARG    156      0.0116     75.4633     62.2600
   812 CA   TYR    157      0.0171     75.7257     60.6100
   824 CA   ILE    158      0.0227     75.9952     62.9100
   832 CA   ALA    159      0.0277     76.2390     65.2700
   837 CA   VAL    160      0.0320     76.4417     67.3000
   844 CA   CYS    161      0.0412     76.8846     67.3500
   850 CA   HIS    162      0.0492     77.2722     69.6600
   860 CA   PRO    163      0.0693     78.2399     72.2900
   867 CA   VAL    164      0.1070     80.0525     72.3600
   874 CA   LYS    165      0.0665     78.1033     67.8900
   883 CA   ALA    166      0.0399     76.8216     63.1900
   888 CA   LEU    167      0.0826     78.8768     65.1500
   896 CA   ASP    168      0.0759     78.5552     69.8400
   904 CA   PHE    169      0.0296     76.3285     69.2600
   915 CA   ARG    170      0.0245     76.0822     70.6300
   926 CA   THR    171      0.0300     76.3481     74.0800
   933 CA   PRO    172      0.0291     76.3043     75.1000
   940 CA   LEU    173      0.0420     76.9237     75.0300
   948 CA   LYS    174      0.0277     76.2390     69.8700
   957 CA   ALA    175      0.0167     75.7058     67.2300
   962 CA   LYS    176      0.0243     76.0717     64.8100
   971 CA   ILE    177      0.0298     76.3398     62.9000
   979 CA   ILE    178      0.0202     75.8766     62.0300
   987 CA   ASN    179      0.0160     75.6725     66.4100
   995 CA   ILE    180      0.0288     76.2913     71.6300
  1003 CA   CYS    181      0.0275     76.2259     72.9400
  1009 CA   ILE    182      0.0158     75.6642     72.2500
  1017 CA   TRP    183      0.0214     75.9328     80.2000
  1031 CA   LEU    184      0.0294     76.3176     79.2400
  1039 CA   LEU    185      0.0217     75.9474     76.6200
  1047 CA   SER    186      0.0143     75.5911     76.4400
  1053 CA   SER    187      0.0204     75.8874     78.9700
  1059 CA   SER    188      0.0296     76.3301     80.2600
  1064 CA   VAL    189      0.0178     75.7622     77.0500
  1071 CA   GLY    190      0.0154     75.6443     76.3400
  1075 CA   ILE    191      0.0252     76.1165     78.4700
  1083 CA   SER    192      0.0275     76.2279     76.5200
  1088 CA   ALA    193      0.0175     75.7470     74.8200
  1093 CA   ILE    194      0.0206     75.8932     78.5500
  1101 CA   VAL    195      0.0348     76.5806     80.3200
  1108 CA   LEU    196      0.0295     76.3245     78.1600
  1116 CA   GLY    197      0.0214     75.9325     77.1400
  1120 CA   GLY    198      0.0268     76.1943     81.9700
  1124 CA   THR    199      0.0362     76.6470     89.3100
  1131 CA   LYS    200      0.0579     77.6916     96.1700
  1136 CA   VAL    201      0.1519     82.2120    102.0500
  1141 CA   ARG    202      0.2364     86.2763    122.0400
  1146 CA   ASP    206      0.3241     90.4917     89.1000
  1151 CA   VAL    207      0.1188     80.6200     83.9700
  1156 CA   ILE    208      0.0547     77.5369     82.5500
  1164 CA   GLU    209      0.0427     76.9578     79.1300
  1173 CA   CYS    210      0.0245     76.0841     76.5400
  1179 CA   SER    211      0.0272     76.2126     76.6600
  1185 CA   LEU    212      0.0240     76.0578     74.1100
  1193 CA   GLN    213      0.0294     76.3207     80.4400
  1202 CA   PHE    214      0.0627     77.9228     88.5200
  1213 CA   PRO    215      0.1310     81.2066     99.3500
  1220 CA   ASP    216      0.2501     86.9365    100.8400
  1225 CA   ASP    217      0.3891     93.6184    105.9600
  1230 CA   ASP    218      0.4152     94.8737    108.0000
  1238 CA   TYR    219      0.3404     91.2783    102.5600
  1250 CA   SER    220      0.1202     80.6867     97.6700
  1256 CA   TRP    221      0.0729     78.4108     91.2700
  1270 CA   TRP    222      0.0462     77.1257     91.0300
  1284 CA   ASP    223      0.0319     76.4373     87.4200
  1292 CA   LEU    224      0.0329     76.4888     82.4100
  1300 CA   PHE    225      0.0387     76.7645     81.1200
  1311 CA   MET    226      0.0280     76.2524     76.9700
  1316 CA   LYS    227      0.0227     75.9987     75.3400
  1325 CA   ILE    228      0.0246     76.0884     75.1900
  1333 CA   CYS    229      0.0292     76.3069     76.2200
  1339 CA   VAL    230      0.0181     75.7741     72.3000
  1346 CA   PHE    231      0.0145     75.6038     69.6500
  1357 CA   ILE    232      0.0196     75.8460     71.3200
  1365 CA   PHE    233      0.0201     75.8735     71.3900
  1376 CA   ALA    234      0.0125     75.5080     67.4000
  1381 CA   PHE    235      0.0123     75.4981     64.7700
  1392 CA   VAL    236      0.0190     75.8191     66.1400
  1399 CA   ILE    237      0.0207     75.9008     66.6300
  1407 CA   PRO    238      0.0139     75.5747     64.8300
  1414 CA   VAL    239      0.0156     75.6541     66.8000
  1421 CA   LEU    240      0.0256     76.1349     69.8200
  1429 CA   ILE    241      0.0191     75.8254     67.1100
  1437 CA   ILE    242      0.0133     75.5438     67.7000
  1445 CA   ILE    243      0.0202     75.8756     65.0400
  1453 CA   VAL    244      0.0272     76.2150     64.1800
  1460 CA   CYS    245      0.0176     75.7513     66.4900
  1466 CA   TYR    246      0.0156     75.6539     65.1500
  1478 CA   THR    247      0.0267     76.1892     66.0100
  1485 CA   LEU    248      0.0304     76.3649     66.5900
  1493 CA   MET    249      0.0217     75.9479     69.9300
  1501 CA   ILE    250      0.0316     76.4267     72.8400
  1509 CA   LEU    251      0.0516     77.3847     75.0700
  1514 CA   ARG    252      0.0503     77.3221     76.0700
  1525 CA   LEU    253      0.0604     77.8105     77.6000
  1533 CA   LYS    254      0.1210     80.7261     85.2100
  1538 CA   SER    255      0.1707     83.1172     90.2100
  1544 CA   VAL    256      0.2401     86.4536     93.5400
  1551 CA   ARG    257      0.5680    102.2267    121.6900
  1556 CA   SER    262      0.7814    112.4876    127.8100
  1561 CA   ARG    263      0.6617    106.7321    127.0300
  1566 CA   GLU    264      0.4894     98.4435    121.0800
  1571 CA   LYS    265      0.2846     88.5952    114.0300
  1576 CA   ASP    266      0.2816     88.4475    113.6000
  1584 CA   ARG    267      0.2686     87.8228    110.7400
  1589 CA   ASN    268      0.1565     82.4336    101.2100
  1597 CA   LEU    269      0.0906     79.2627     96.0800
  1602 CA   ARG    270      0.1177     80.5660     92.9000
  1607 CA   ARG    271      0.1017     79.7976     86.5800
  1612 CA   ILE    272      0.0458     77.1077     80.0300
  1620 CA   THR    273      0.0457     77.1052     79.7200
  1627 CA   ARG    274      0.0605     77.8168     81.6800
  1638 CA   LEU    275      0.0338     76.5325     79.9000
  1646 CA   VAL    276      0.0228     76.0015     75.6700
  1653 CA   LEU    277      0.0390     76.7824     77.2500
  1661 CA   VAL    278      0.0287     76.2831     75.3500
  1668 CA   VAL    279      0.0180     75.7697     71.6800
  1675 CA   VAL    280      0.0173     75.7377     71.8000
  1682 CA   ALA    281      0.0228     75.9991     71.0200
  1687 CA   VAL    282      0.0152     75.6369     65.6900
  1694 CA   PHE    283      0.0121     75.4854     60.3500
  1705 CA   VAL    284      0.0162     75.6855     60.9900
  1712 CA   VAL    285      0.0195     75.8433     64.0200
  1719 CA   CYS    286      0.0123     75.4952     66.3900
  1725 CA   TRP    287      0.0113     75.4504     63.7100
  1739 CA   THR    288      0.0158     75.6631     66.5100
  1746 CA   PRO    289      0.0165     75.6985     72.0100
  1753 CA   ILE    290      0.0147     75.6099     73.2500
  1761 CA   HIS    291      0.0140     75.5805     72.5000
  1771 CA   ILE    292      0.0203     75.8833     73.6700
  1779 CA   PHE    293      0.0196     75.8469     73.2700
  1790 CA   ILE    294      0.0212     75.9235     70.6700
  1798 CA   LEU    295      0.0232     76.0194     75.0100
  1806 CA   VAL    296      0.0430     76.9708     82.8100
  1813 CA   GLU    297      0.0464     77.1367     84.3300
  1818 CA   ALA    298      0.0490     77.2622     85.4100
  1823 CA   LEU    299      0.0756     78.5401     89.1100
  1831 CA   GLY    300      0.2040     84.7188    121.5300
  1835 CA   THR    302      0.1299     81.1542    127.4200
  1840 CA   SER    303      0.1242     80.8768    127.0900
  1846 CA   HIS    304      0.1176     80.5617    124.8500
  1856 CA   SER    305      0.1206     80.7053    119.6400
  1861 CA   THR    306      0.0908     79.2737    112.4400
  1868 CA   ALA    307      0.0793     78.7210    105.2300
  1873 CA   ALA    308      0.0448     77.0573     98.0300
  1878 CA   LEU    309      0.0310     76.3981     88.8600
  1886 CA   SER    310      0.0262     76.1651     81.2500
  1892 CA   SER    311      0.0269     76.1990     75.1100
  1898 CA   TYR    312      0.0179     75.7666     68.7200
  1910 CA   TYR    313      0.0143     75.5910     64.8900
  1922 CA   PHE    314      0.0162     75.6829     69.0700
  1933 CA   CYS    315      0.0153     75.6404     69.2100
  1939 CA   ILE    316      0.0122     75.4935     68.8300
  1947 CA   ALA    317      0.0123     75.4972     68.9100
  1952 CA   LEU    318      0.0127     75.5135     71.4900
  1960 CA   GLY    319      0.0108     75.4234     68.2100
  1964 CA   TYR    320      0.0095     75.3638     64.9000
  1976 CA   THR    321      0.0112     75.4439     66.8700
  1983 CA   ASN    322      0.0094     75.3578     68.2200
  1991 CA   SER    323      0.0089     75.3334     70.6700
  1997 CA   SER    324      0.0117     75.4656     73.5500
  2003 CA   LEU    325      0.0124     75.5009     76.7100
  2011 CA   ASN    326      0.0099     75.3801     79.7400
  2019 CA   PRO    327      0.0115     75.4559     84.5500
  2026 CA   ILE    328      0.0177     75.7559     87.7200
  2031 CA   LEU    329      0.0166     75.7029     90.4900
  2036 CA   TYR    330      0.0119     75.4790     97.5800
  2048 CA   ALA    331      0.0170     75.7222    105.0200
  2053 CA   PHE    332      0.0255     76.1325    113.0000
  2064 CA   LEU    333      0.0344     76.5613    115.9700
  2072 CA   ASP    334      0.0409     76.8718    117.8400
  2080 CA   GLU    335      0.0925     79.3525    122.5000
  2089 CA   ASN    336      0.0721     78.3719    121.6900
  2094 CA   PHE    337      0.0393     76.7967    117.3800
  2105 CA   LYS    338      0.0850     78.9915    119.9100
  2114 CA   ARG    339      0.1654     82.8581    151.1000

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.