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***  6B73.C161.SM  ***

B-factor analysis for ID 210720075300115338

Overall B-factor prediction

Correlation= 0.442 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      4.4274    288.5651    129.4200
     7 CA   GLY     52      3.0217    220.7571    129.0700
    11 CA   SER     53      2.2950    185.7030    124.0600
    17 CA   ILE     54      1.4207    143.5278    116.6300
    22 CA   SER     55      0.3973     94.1650    105.5600
    28 CA   PRO     56      0.2754     88.2838     99.9000
    35 CA   ALA     57      0.1318     81.3574     89.5300
    40 CA   ILE     58      0.0676     78.2590     78.1200
    48 CA   PRO     59      0.0434     77.0920     70.2900
    55 CA   VAL     60      0.0651     78.1402     70.7700
    62 CA   ILE     61      0.0572     77.7580     68.6400
    70 CA   ILE     62      0.0278     76.3391     66.7700
    78 CA   THR     63      0.0303     76.4590     64.3000
    85 CA   ALA     64      0.0428     77.0612     62.2600
    90 CA   VAL     65      0.0279     76.3430     61.8300
    97 CA   TYR     66      0.0183     75.8815     61.3700
   109 CA   SER     67      0.0335     76.6159     62.6200
   115 CA   VAL     68      0.0405     76.9500     64.9000
   122 CA   VAL     69      0.0176     75.8479     63.8300
   129 CA   PHE     70      0.0158     75.7591     62.8200
   140 CA   VAL     71      0.0254     76.2214     65.4400
   147 CA   VAL     72      0.0248     76.1968     67.1600
   154 CA   GLY     73      0.0150     75.7222     68.7200
   158 CA   LEU     74      0.0171     75.8249     69.8000
   166 CA   VAL     75      0.0297     76.4300     72.9100
   173 CA   GLY     76      0.0197     75.9505     71.8400
   177 CA   ASN     77      0.0124     75.5980     71.0100
   185 CA   SER     78      0.0195     75.9388     76.1100
   191 CA   LEU     79      0.0238     76.1471     80.6700
   199 CA   VAL     80      0.0170     75.8167     80.7900
   206 CA   MET     81      0.0194     75.9347     83.6100
   214 CA   PHE     82      0.0368     76.7731     87.7600
   225 CA   VAL     83      0.0339     76.6342     87.6700
   232 CA   ILE     84      0.0272     76.3105     84.7000
   240 CA   ILE     85      0.0457     77.2047     90.3700
   248 CA   ARG     86      0.0703     78.3882     98.2800
   253 CA   TYR     87      0.0751     78.6194     99.6300
   265 CA   THR     88      0.0532     77.5629     96.4600
   272 CA   LYS     89      0.0552     77.6604     99.5800
   277 CA   MET     90      0.0364     76.7564     96.3000
   285 CA   LYS     91      0.0597     77.8776     96.1400
   294 CA   THR     92      0.0402     76.9385     88.1300
   301 CA   ALA     93      0.0193     75.9294     80.2900
   306 CA   THR     94      0.0185     75.8927     76.7400
   313 CA   ASN     95      0.0188     75.9052     74.0000
   321 CA   ILE     96      0.0159     75.7677     69.2000
   329 CA   TYR     97      0.0087     75.4199     66.3500
   341 CA   ILE     98      0.0108     75.5172     65.3200
   349 CA   PHE     99      0.0120     75.5771     64.5200
   360 CA   ASN    100      0.0118     75.5661     62.5600
   368 CA   LEU    101      0.0083     75.3966     63.4000
   376 CA   ALA    102      0.0090     75.4339     67.2900
   381 CA   LEU    103      0.0108     75.5175     66.9700
   389 CA   ALA    104      0.0094     75.4510     62.5500
   394 CA   ASP    105      0.0090     75.4337     60.1700
   402 CA   ALA    106      0.0105     75.5042     61.9100
   407 CA   LEU    107      0.0103     75.4945     62.9400
   415 CA   VAL    108      0.0093     75.4476     62.6700
   422 CA   THR    109      0.0109     75.5243     64.3600
   429 CA   THR    110      0.0132     75.6363     63.3600
   436 CA   THR    111      0.0124     75.5959     61.3500
   443 CA   MET    112      0.0112     75.5383     61.2200
   451 CA   PRO    113      0.0158     75.7627     63.6700
   458 CA   PHE    114      0.0153     75.7361     62.6500
   469 CA   GLN    115      0.0139     75.6704     62.5300
   478 CA   SER    116      0.0164     75.7913     65.4500
   484 CA   THR    117      0.0229     76.1030     67.6200
   491 CA   VAL    118      0.0202     75.9729     67.4400
   498 CA   TYR    119      0.0204     75.9813     69.3200
   510 CA   LEU    120      0.0282     76.3592     71.8800
   518 CA   MET    121      0.0450     77.1695     76.3100
   526 CA   ASN    122      0.0469     77.2606     81.0000
   534 CA   SER    123      0.0393     76.8955     83.4800
   540 CA   TRP    124      0.0297     76.4314     81.3600
   554 CA   PRO    125      0.0489     77.3572     86.2900
   561 CA   PHE    126      0.0448     77.1572     87.2300
   572 CA   GLY    127      0.0467     77.2528     88.8000
   576 CA   ASP    128      0.0386     76.8606     85.6000
   584 CA   VAL    129      0.0467     77.2530     84.8700
   591 CA   LEU    130      0.0333     76.6030     77.2600
   599 CA   CYS    131      0.0223     76.0732     76.3200
   605 CA   LYS    132      0.0230     76.1061     75.3900
   614 CA   ILE    133      0.0246     76.1864     72.2400
   622 CA   VAL    134      0.0178     75.8559     68.6500
   629 CA   LEU    135      0.0143     75.6901     69.8000
   637 CA   SER    136      0.0154     75.7406     71.8200
   643 CA   ILE    137      0.0121     75.5810     70.1800
   651 CA   ASP    138      0.0109     75.5226     70.2200
   659 CA   TYR    139      0.0115     75.5541     69.7100
   671 CA   TYR    140      0.0114     75.5507     68.5500
   683 CA   ASN    141      0.0087     75.4205     64.8300
   691 CA   MET    142      0.0087     75.4167     63.3700
   699 CA   PHE    143      0.0099     75.4744     63.1700
   710 CA   THR    144      0.0091     75.4371     64.1200
   717 CA   SER    145      0.0077     75.3713     62.8800
   723 CA   ILE    146      0.0080     75.3856     60.9300
   731 CA   PHE    147      0.0089     75.4276     62.1400
   742 CA   THR    148      0.0080     75.3853     62.2000
   749 CA   LEU    149      0.0076     75.3673     64.0600
   757 CA   THR    150      0.0084     75.4022     65.5800
   764 CA   MET    151      0.0086     75.4113     68.9600
   772 CA   MET    152      0.0074     75.3561     71.0600
   780 CA   SER    153      0.0094     75.4508     68.5200
   786 CA   VAL    154      0.0113     75.5456     66.9200
   793 CA   ASP    155      0.0110     75.5293     66.0400
   801 CA   ARG    156      0.0098     75.4719     62.2600
   812 CA   TYR    157      0.0135     75.6510     60.6100
   824 CA   ILE    158      0.0182     75.8777     62.9100
   832 CA   ALA    159      0.0224     76.0780     65.2700
   837 CA   VAL    160      0.0233     76.1206     67.3000
   844 CA   CYS    161      0.0273     76.3146     67.3500
   850 CA   HIS    162      0.0353     76.7000     69.6600
   860 CA   PRO    163      0.0500     77.4101     72.2900
   867 CA   VAL    164      0.0848     79.0867     72.3600
   874 CA   LYS    165      0.0534     77.5752     67.8900
   883 CA   ALA    166      0.0334     76.6092     63.1900
   888 CA   LEU    167      0.0733     78.5348     65.1500
   896 CA   ASP    168      0.0705     78.4005     69.8400
   904 CA   PHE    169      0.0275     76.3274     69.2600
   915 CA   ARG    170      0.0228     76.1005     70.6300
   926 CA   THR    171      0.0290     76.3981     74.0800
   933 CA   PRO    172      0.0289     76.3937     75.1000
   940 CA   LEU    173      0.0423     77.0369     75.0300
   948 CA   LYS    174      0.0278     76.3386     69.8700
   957 CA   ALA    175      0.0172     75.8273     67.2300
   962 CA   LYS    176      0.0252     76.2122     64.8100
   971 CA   ILE    177      0.0314     76.5142     62.9000
   979 CA   ILE    178      0.0219     76.0542     62.0300
   987 CA   ASN    179      0.0179     75.8621     66.4100
   995 CA   ILE    180      0.0337     76.6225     71.6300
  1003 CA   CYS    181      0.0321     76.5457     72.9400
  1009 CA   ILE    182      0.0181     75.8737     72.2500
  1017 CA   TRP    183      0.0276     76.3313     80.2000
  1031 CA   LEU    184      0.0406     76.9570     79.2400
  1039 CA   LEU    185      0.0266     76.2828     76.6200
  1047 CA   SER    186      0.0181     75.8723     76.4400
  1053 CA   SER    187      0.0299     76.4426     78.9700
  1059 CA   SER    188      0.0412     76.9858     80.2600
  1064 CA   VAL    189      0.0217     76.0459     77.0500
  1071 CA   GLY    190      0.0197     75.9481     76.3400
  1075 CA   ILE    191      0.0464     77.2356     78.4700
  1083 CA   SER    192      0.0368     76.7731     76.5200
  1088 CA   ALA    193      0.0205     75.9880     74.8200
  1093 CA   ILE    194      0.0281     76.3555     78.5500
  1101 CA   VAL    195      0.0421     77.0311     80.3200
  1108 CA   LEU    196      0.0342     76.6484     78.1600
  1116 CA   GLY    197      0.0239     76.1522     77.1400
  1120 CA   GLY    198      0.0293     76.4105     81.9700
  1124 CA   THR    199      0.0385     76.8543     89.3100
  1131 CA   LYS    200      0.0607     77.9244     96.1700
  1136 CA   VAL    201      0.1556     82.5050    102.0500
  1141 CA   ARG    202      0.2409     86.6184    122.0400
  1146 CA   ASP    206      0.3302     90.9281     89.1000
  1151 CA   VAL    207      0.1227     80.9175     83.9700
  1156 CA   ILE    208      0.0570     77.7503     82.5500
  1164 CA   GLU    209      0.0442     77.1289     79.1300
  1173 CA   CYS    210      0.0258     76.2413     76.5400
  1179 CA   SER    211      0.0284     76.3696     76.6600
  1185 CA   LEU    212      0.0258     76.2445     74.1100
  1193 CA   GLN    213      0.0320     76.5399     80.4400
  1202 CA   PHE    214      0.0658     78.1719     88.5200
  1213 CA   PRO    215      0.1351     81.5168     99.3500
  1220 CA   ASP    216      0.2547     87.2834    100.8400
  1225 CA   ASP    217      0.3937     93.9914    105.9600
  1230 CA   ASP    218      0.4206     95.2863    108.0000
  1238 CA   TYR    219      0.3450     91.6426    102.5600
  1250 CA   SER    220      0.1235     80.9535     97.6700
  1256 CA   TRP    221      0.0752     78.6260     91.2700
  1270 CA   TRP    222      0.0481     77.3199     91.0300
  1284 CA   ASP    223      0.0332     76.6010     87.4200
  1292 CA   LEU    224      0.0341     76.6428     82.4100
  1300 CA   PHE    225      0.0400     76.9295     81.1200
  1311 CA   MET    226      0.0291     76.4029     76.9700
  1316 CA   LYS    227      0.0235     76.1313     75.3400
  1325 CA   ILE    228      0.0257     76.2374     75.1900
  1333 CA   CYS    229      0.0304     76.4648     76.2200
  1339 CA   VAL    230      0.0190     75.9142     72.3000
  1346 CA   PHE    231      0.0155     75.7451     69.6500
  1357 CA   ILE    232      0.0207     75.9981     71.3200
  1365 CA   PHE    233      0.0210     76.0120     71.3900
  1376 CA   ALA    234      0.0133     75.6404     67.4000
  1381 CA   PHE    235      0.0131     75.6313     64.7700
  1392 CA   VAL    236      0.0198     75.9543     66.1400
  1399 CA   ILE    237      0.0214     76.0296     66.6300
  1407 CA   PRO    238      0.0143     75.6869     64.8300
  1414 CA   VAL    239      0.0158     75.7627     66.8000
  1421 CA   LEU    240      0.0248     76.1935     69.8200
  1429 CA   ILE    241      0.0180     75.8655     67.1100
  1437 CA   ILE    242      0.0124     75.5972     67.7000
  1445 CA   ILE    243      0.0181     75.8734     65.0400
  1453 CA   VAL    244      0.0227     76.0931     64.1800
  1460 CA   CYS    245      0.0146     75.7048     66.4900
  1466 CA   TYR    246      0.0128     75.6137     65.1500
  1478 CA   THR    247      0.0214     76.0299     66.0100
  1485 CA   LEU    248      0.0242     76.1668     66.5900
  1493 CA   MET    249      0.0170     75.8186     69.9300
  1501 CA   ILE    250      0.0266     76.2823     72.8400
  1509 CA   LEU    251      0.0393     76.8948     75.0700
  1514 CA   ARG    252      0.0377     76.8159     76.0700
  1525 CA   LEU    253      0.0472     77.2754     77.6000
  1533 CA   LYS    254      0.0769     78.7057     85.2100
  1538 CA   SER    255      0.0876     79.2264     90.2100
  1544 CA   VAL    256      0.1170     80.6437     93.5400
  1551 CA   ARG    257      0.3271     90.7779    121.6900
  1556 CA   SER    262      0.6980    108.6668    127.8100
  1561 CA   ARG    263      0.5967    103.7803    127.0300
  1566 CA   GLU    264      0.4411     96.2756    121.0800
  1571 CA   LYS    265      0.2509     87.1012    114.0300
  1576 CA   ASP    266      0.2553     87.3127    113.6000
  1584 CA   ARG    267      0.2429     86.7151    110.7400
  1589 CA   ASN    268      0.1408     81.7895    101.2100
  1597 CA   LEU    269      0.0836     79.0323     96.0800
  1602 CA   ARG    270      0.1118     80.3901     92.9000
  1607 CA   ARG    271      0.0970     79.6771     86.5800
  1612 CA   ILE    272      0.0427     77.0591     80.0300
  1620 CA   THR    273      0.0435     77.0947     79.7200
  1627 CA   ARG    274      0.0588     77.8345     81.6800
  1638 CA   LEU    275      0.0331     76.5970     79.9000
  1646 CA   VAL    276      0.0217     76.0466     75.6700
  1653 CA   LEU    277      0.0384     76.8498     77.2500
  1661 CA   VAL    278      0.0288     76.3861     75.3500
  1668 CA   VAL    279      0.0181     75.8734     71.6800
  1675 CA   VAL    280      0.0172     75.8296     71.8000
  1682 CA   ALA    281      0.0229     76.1008     71.0200
  1687 CA   VAL    282      0.0157     75.7580     65.6900
  1694 CA   PHE    283      0.0126     75.6039     60.3500
  1705 CA   VAL    284      0.0167     75.8029     60.9900
  1712 CA   VAL    285      0.0201     75.9661     64.0200
  1719 CA   CYS    286      0.0128     75.6153     66.3900
  1725 CA   TRP    287      0.0120     75.5751     63.7100
  1739 CA   THR    288      0.0165     75.7924     66.5100
  1746 CA   PRO    289      0.0170     75.8202     72.0100
  1753 CA   ILE    290      0.0150     75.7226     73.2500
  1761 CA   HIS    291      0.0146     75.7022     72.5000
  1771 CA   ILE    292      0.0210     76.0105     73.6700
  1779 CA   PHE    293      0.0199     75.9607     73.2700
  1790 CA   ILE    294      0.0215     76.0348     70.6700
  1798 CA   LEU    295      0.0238     76.1456     75.0100
  1806 CA   VAL    296      0.0440     77.1216     82.8100
  1813 CA   GLU    297      0.0471     77.2692     84.3300
  1818 CA   ALA    298      0.0497     77.3971     85.4100
  1823 CA   LEU    299      0.0771     78.7199     89.1100
  1831 CA   GLY    300      0.2059     84.9302    121.5300
  1835 CA   THR    302      0.1308     81.3072    127.4200
  1840 CA   SER    303      0.1246     81.0106    127.0900
  1846 CA   HIS    304      0.1182     80.7003    124.8500
  1856 CA   SER    305      0.1221     80.8882    119.6400
  1861 CA   THR    306      0.0921     79.4417    112.4400
  1868 CA   ALA    307      0.0806     78.8875    105.2300
  1873 CA   ALA    308      0.0454     77.1885     98.0300
  1878 CA   LEU    309      0.0315     76.5157     88.8600
  1886 CA   SER    310      0.0268     76.2922     81.2500
  1892 CA   SER    311      0.0275     76.3239     75.1100
  1898 CA   TYR    312      0.0181     75.8737     68.7200
  1910 CA   TYR    313      0.0145     75.6957     64.8900
  1922 CA   PHE    314      0.0165     75.7943     69.0700
  1933 CA   CYS    315      0.0156     75.7512     69.2100
  1939 CA   ILE    316      0.0124     75.5981     68.8300
  1947 CA   ALA    317      0.0126     75.6043     68.9100
  1952 CA   LEU    318      0.0130     75.6232     71.4900
  1960 CA   GLY    319      0.0111     75.5355     68.2100
  1964 CA   TYR    320      0.0099     75.4778     64.9000
  1976 CA   THR    321      0.0117     75.5617     66.8700
  1983 CA   ASN    322      0.0099     75.4770     68.2200
  1991 CA   SER    323      0.0094     75.4530     70.6700
  1997 CA   SER    324      0.0121     75.5845     73.5500
  2003 CA   LEU    325      0.0129     75.6215     76.7100
  2011 CA   ASN    326      0.0103     75.4943     79.7400
  2019 CA   PRO    327      0.0119     75.5712     84.5500
  2026 CA   ILE    328      0.0180     75.8667     87.7200
  2031 CA   LEU    329      0.0168     75.8097     90.4900
  2036 CA   TYR    330      0.0121     75.5829     97.5800
  2048 CA   ALA    331      0.0173     75.8315    105.0200
  2053 CA   PHE    332      0.0259     76.2470    113.0000
  2064 CA   LEU    333      0.0347     76.6732    115.9700
  2072 CA   ASP    334      0.0416     77.0053    117.8400
  2080 CA   GLU    335      0.0934     79.5038    122.5000
  2089 CA   ASN    336      0.0729     78.5148    121.6900
  2094 CA   PHE    337      0.0400     76.9303    117.3800
  2105 CA   LYS    338      0.0860     79.1484    119.9100
  2114 CA   ARG    339      0.1669     83.0474    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.