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***  6B73 No Ligand  ***

B-factor analysis for ID 210714043906141057

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      4.4166    287.2853    129.4200
     7 CA   GLY     52      3.0121    219.7358    129.0700
    11 CA   SER     53      2.2865    184.8336    124.0600
    17 CA   ILE     54      1.4120    142.7755    116.6300
    22 CA   SER     55      0.3931     93.7692    105.5600
    28 CA   PRO     56      0.2723     87.9574     99.9000
    35 CA   ALA     57      0.1292     81.0722     89.5300
    40 CA   ILE     58      0.0662     78.0456     78.1200
    48 CA   PRO     59      0.0424     76.8987     70.2900
    55 CA   VAL     60      0.0638     77.9283     70.7700
    62 CA   ILE     61      0.0561     77.5599     68.6400
    70 CA   ILE     62      0.0272     76.1667     66.7700
    78 CA   THR     63      0.0297     76.2903     64.3000
    85 CA   ALA     64      0.0421     76.8859     62.2600
    90 CA   VAL     65      0.0275     76.1803     61.8300
    97 CA   TYR     66      0.0181     75.7310     61.3700
   109 CA   SER     67      0.0330     76.4457     62.6200
   115 CA   VAL     68      0.0394     76.7533     64.9000
   122 CA   VAL     69      0.0173     75.6935     63.8300
   129 CA   PHE     70      0.0155     75.6073     62.8200
   140 CA   VAL     71      0.0250     76.0641     65.4400
   147 CA   VAL     72      0.0245     76.0404     67.1600
   154 CA   GLY     73      0.0148     75.5717     68.7200
   158 CA   LEU     74      0.0170     75.6779     69.8000
   166 CA   VAL     75      0.0295     76.2786     72.9100
   173 CA   GLY     76      0.0195     75.7981     71.8400
   177 CA   ASN     77      0.0123     75.4500     71.0100
   185 CA   SER     78      0.0194     75.7935     76.1100
   191 CA   LEU     79      0.0237     76.0008     80.6700
   199 CA   VAL     80      0.0168     75.6671     80.7900
   206 CA   MET     81      0.0193     75.7872     83.6100
   214 CA   PHE     82      0.0367     76.6271     87.7600
   225 CA   VAL     83      0.0338     76.4856     87.6700
   232 CA   ILE     84      0.0270     76.1584     84.7000
   240 CA   ILE     85      0.0457     77.0593     90.3700
   248 CA   ARG     86      0.0703     78.2424     98.2800
   253 CA   TYR     87      0.0751     78.4700     99.6300
   265 CA   THR     88      0.0524     77.3803     96.4600
   272 CA   LYS     89      0.0548     77.4977     99.5800
   277 CA   MET     90      0.0363     76.6067     96.3000
   285 CA   LYS     91      0.0598     77.7358     96.1400
   294 CA   THR     92      0.0403     76.7975     88.1300
   301 CA   ALA     93      0.0195     75.7990     80.2900
   306 CA   THR     94      0.0186     75.7532     76.7400
   313 CA   ASN     95      0.0186     75.7552     74.0000
   321 CA   ILE     96      0.0158     75.6215     69.2000
   329 CA   TYR     97      0.0086     75.2756     66.3500
   341 CA   ILE     98      0.0106     75.3698     65.3200
   349 CA   PHE     99      0.0118     75.4271     64.5200
   360 CA   ASN    100      0.0116     75.4182     62.5600
   368 CA   LEU    101      0.0080     75.2462     63.4000
   376 CA   ALA    102      0.0089     75.2864     67.2900
   381 CA   LEU    103      0.0107     75.3730     66.9700
   389 CA   ALA    104      0.0092     75.3043     62.5500
   394 CA   ASP    105      0.0089     75.2859     60.1700
   402 CA   ALA    106      0.0104     75.3618     61.9100
   407 CA   LEU    107      0.0102     75.3518     62.9400
   415 CA   VAL    108      0.0092     75.3030     62.6700
   422 CA   THR    109      0.0108     75.3777     64.3600
   429 CA   THR    110      0.0130     75.4859     63.3600
   436 CA   THR    111      0.0121     75.4438     61.3500
   443 CA   MET    112      0.0110     75.3895     61.2200
   451 CA   PRO    113      0.0153     75.5964     63.6700
   458 CA   PHE    114      0.0148     75.5703     62.6500
   469 CA   GLN    115      0.0137     75.5199     62.5300
   478 CA   SER    116      0.0161     75.6343     65.4500
   484 CA   THR    117      0.0223     75.9336     67.6200
   491 CA   VAL    118      0.0197     75.8068     67.4400
   498 CA   TYR    119      0.0200     75.8223     69.3200
   510 CA   LEU    120      0.0276     76.1865     71.8800
   518 CA   MET    121      0.0442     76.9878     76.3100
   526 CA   ASN    122      0.0461     77.0789     81.0000
   534 CA   SER    123      0.0387     76.7212     83.4800
   540 CA   TRP    124      0.0291     76.2615     81.3600
   554 CA   PRO    125      0.0478     77.1600     86.2900
   561 CA   PHE    126      0.0439     76.9700     87.2300
   572 CA   GLY    127      0.0458     77.0628     88.8000
   576 CA   ASP    128      0.0378     76.6793     85.6000
   584 CA   VAL    129      0.0457     77.0595     84.8700
   591 CA   LEU    130      0.0327     76.4326     77.2600
   599 CA   CYS    131      0.0219     75.9119     76.3200
   605 CA   LYS    132      0.0225     75.9423     75.3900
   614 CA   ILE    133      0.0243     76.0262     72.2400
   622 CA   VAL    134      0.0176     75.7074     68.6500
   629 CA   LEU    135      0.0142     75.5413     69.8000
   637 CA   SER    136      0.0152     75.5888     71.8200
   643 CA   ILE    137      0.0120     75.4358     70.1800
   651 CA   ASP    138      0.0108     75.3774     70.2200
   659 CA   TYR    139      0.0113     75.4057     69.7100
   671 CA   TYR    140      0.0113     75.4019     68.5500
   683 CA   ASN    141      0.0086     75.2722     64.8300
   691 CA   MET    142      0.0085     75.2667     63.3700
   699 CA   PHE    143      0.0096     75.3208     63.1700
   710 CA   THR    144      0.0088     75.2852     64.1200
   717 CA   SER    145      0.0075     75.2189     62.8800
   723 CA   ILE    146      0.0077     75.2317     60.9300
   731 CA   PHE    147      0.0086     75.2759     62.1400
   742 CA   THR    148      0.0079     75.2386     62.2000
   749 CA   LEU    149      0.0076     75.2244     64.0600
   757 CA   THR    150      0.0085     75.2689     65.5800
   764 CA   MET    151      0.0091     75.2968     68.9600
   772 CA   MET    152      0.0079     75.2400     71.0600
   780 CA   SER    153      0.0103     75.3547     68.5200
   786 CA   VAL    154      0.0127     75.4715     66.9200
   793 CA   ASP    155      0.0127     75.4708     66.0400
   801 CA   ARG    156      0.0117     75.4211     62.2600
   812 CA   TYR    157      0.0171     75.6835     60.6100
   824 CA   ILE    158      0.0228     75.9576     62.9100
   832 CA   ALA    159      0.0279     76.2040     65.2700
   837 CA   VAL    160      0.0323     76.4116     67.3000
   844 CA   CYS    161      0.0415     76.8539     67.3500
   850 CA   HIS    162      0.0495     77.2401     69.6600
   860 CA   PRO    163      0.0698     78.2167     72.2900
   867 CA   VAL    164      0.1078     80.0468     72.3600
   874 CA   LYS    165      0.0671     78.0883     67.8900
   883 CA   ALA    166      0.0404     76.8034     63.1900
   888 CA   LEU    167      0.0833     78.8682     65.1500
   896 CA   ASP    168      0.0766     78.5465     69.8400
   904 CA   PHE    169      0.0302     76.3104     69.2600
   915 CA   ARG    170      0.0248     76.0541     70.6300
   926 CA   THR    171      0.0304     76.3237     74.0800
   933 CA   PRO    172      0.0296     76.2828     75.1000
   940 CA   LEU    173      0.0429     76.9223     75.0300
   948 CA   LYS    174      0.0286     76.2332     69.8700
   957 CA   ALA    175      0.0172     75.6867     67.2300
   962 CA   LYS    176      0.0252     76.0699     64.8100
   971 CA   ILE    177      0.0317     76.3864     62.9000
   979 CA   ILE    178      0.0219     75.9127     62.0300
   987 CA   ASN    179      0.0178     75.7153     66.4100
   995 CA   ILE    180      0.0336     76.4739     71.6300
  1003 CA   CYS    181      0.0317     76.3837     72.9400
  1009 CA   ILE    182      0.0178     75.7142     72.2500
  1017 CA   TRP    183      0.0274     76.1789     80.2000
  1031 CA   LEU    184      0.0401     76.7866     79.2400
  1039 CA   LEU    185      0.0260     76.1105     76.6200
  1047 CA   SER    186      0.0177     75.7114     76.4400
  1053 CA   SER    187      0.0294     76.2758     78.9700
  1059 CA   SER    188      0.0404     76.8043     80.2600
  1064 CA   VAL    189      0.0212     75.8804     77.0500
  1071 CA   GLY    190      0.0193     75.7892     76.3400
  1075 CA   ILE    191      0.0457     77.0561     78.4700
  1083 CA   SER    192      0.0360     76.5911     76.5200
  1088 CA   ALA    193      0.0201     75.8244     74.8200
  1093 CA   ILE    194      0.0276     76.1859     78.5500
  1101 CA   VAL    195      0.0411     76.8348     80.3200
  1108 CA   LEU    196      0.0333     76.4622     78.1600
  1116 CA   GLY    197      0.0234     75.9833     77.1400
  1120 CA   GLY    198      0.0286     76.2375     81.9700
  1124 CA   THR    199      0.0379     76.6806     89.3100
  1131 CA   LYS    200      0.0599     77.7398     96.1700
  1136 CA   VAL    201      0.1545     82.2904    102.0500
  1141 CA   ARG    202      0.2398     86.3953    122.0400
  1146 CA   ASP    206      0.3289     90.6815     89.1000
  1151 CA   VAL    207      0.1218     80.7203     83.9700
  1156 CA   ILE    208      0.0564     77.5712     82.5500
  1164 CA   GLU    209      0.0436     76.9576     79.1300
  1173 CA   CYS    210      0.0254     76.0808     76.5400
  1179 CA   SER    211      0.0280     76.2049     76.6600
  1185 CA   LEU    212      0.0253     76.0780     74.1100
  1193 CA   GLN    213      0.0313     76.3629     80.4400
  1202 CA   PHE    214      0.0648     77.9787     88.5200
  1213 CA   PRO    215      0.1335     81.2808     99.3500
  1220 CA   ASP    216      0.2528     87.0178    100.8400
  1225 CA   ASP    217      0.3907     93.6537    105.9600
  1230 CA   ASP    218      0.4179     94.9583    108.0000
  1238 CA   TYR    219      0.3425     91.3332    102.5600
  1250 CA   SER    220      0.1217     80.7126     97.6700
  1256 CA   TRP    221      0.0738     78.4104     91.2700
  1270 CA   TRP    222      0.0469     77.1175     91.0300
  1284 CA   ASP    223      0.0324     76.4206     87.4200
  1292 CA   LEU    224      0.0333     76.4605     82.4100
  1300 CA   PHE    225      0.0390     76.7344     81.1200
  1311 CA   MET    226      0.0284     76.2250     76.9700
  1316 CA   LYS    227      0.0230     75.9639     75.3400
  1325 CA   ILE    228      0.0249     76.0569     75.1900
  1333 CA   CYS    229      0.0295     76.2793     76.2200
  1339 CA   VAL    230      0.0185     75.7507     72.3000
  1346 CA   PHE    231      0.0150     75.5808     69.6500
  1357 CA   ILE    232      0.0201     75.8259     71.3200
  1365 CA   PHE    233      0.0205     75.8462     71.3900
  1376 CA   ALA    234      0.0130     75.4838     67.4000
  1381 CA   PHE    235      0.0128     75.4753     64.7700
  1392 CA   VAL    236      0.0194     75.7929     66.1400
  1399 CA   ILE    237      0.0209     75.8652     66.6300
  1407 CA   PRO    238      0.0141     75.5379     64.8300
  1414 CA   VAL    239      0.0158     75.6202     66.8000
  1421 CA   LEU    240      0.0257     76.0964     69.8200
  1429 CA   ILE    241      0.0192     75.7831     67.1100
  1437 CA   ILE    242      0.0133     75.4992     67.7000
  1445 CA   ILE    243      0.0203     75.8349     65.0400
  1453 CA   VAL    244      0.0273     76.1723     64.1800
  1460 CA   CYS    245      0.0176     75.7071     66.4900
  1466 CA   TYR    246      0.0157     75.6127     65.1500
  1478 CA   THR    247      0.0269     76.1551     66.0100
  1485 CA   LEU    248      0.0306     76.3317     66.5900
  1493 CA   MET    249      0.0219     75.9143     69.9300
  1501 CA   ILE    250      0.0320     76.3974     72.8400
  1509 CA   LEU    251      0.0521     77.3644     75.0700
  1514 CA   ARG    252      0.0508     77.3021     76.0700
  1525 CA   LEU    253      0.0610     77.7922     77.6000
  1533 CA   LYS    254      0.1216     80.7102     85.2100
  1538 CA   SER    255      0.1714     83.1027     90.2100
  1544 CA   VAL    256      0.2403     86.4176     93.5400
  1551 CA   ARG    257      0.5692    102.2354    121.6900
  1556 CA   SER    262      0.7813    112.4396    127.8100
  1561 CA   ARG    263      0.6621    106.7075    127.0300
  1566 CA   GLU    264      0.4895     98.4037    121.0800
  1571 CA   LYS    265      0.2849     88.5651    114.0300
  1576 CA   ASP    266      0.2818     88.4148    113.6000
  1584 CA   ARG    267      0.2689     87.7942    110.7400
  1589 CA   ASN    268      0.1566     82.3942    101.2100
  1597 CA   LEU    269      0.0909     79.2327     96.0800
  1602 CA   ARG    270      0.1179     80.5295     92.9000
  1607 CA   ARG    271      0.1017     79.7506     86.5800
  1612 CA   ILE    272      0.0458     77.0640     80.0300
  1620 CA   THR    273      0.0457     77.0584     79.7200
  1627 CA   ARG    274      0.0604     77.7627     81.6800
  1638 CA   LEU    275      0.0335     76.4727     79.9000
  1646 CA   VAL    276      0.0225     75.9431     75.6700
  1653 CA   LEU    277      0.0387     76.7227     77.2500
  1661 CA   VAL    278      0.0285     76.2300     75.3500
  1668 CA   VAL    279      0.0177     75.7132     71.6800
  1675 CA   VAL    280      0.0171     75.6805     71.8000
  1682 CA   ALA    281      0.0225     75.9398     71.0200
  1687 CA   VAL    282      0.0151     75.5874     65.6900
  1694 CA   PHE    283      0.0122     75.4465     60.3500
  1705 CA   VAL    284      0.0161     75.6338     60.9900
  1712 CA   VAL    285      0.0192     75.7809     64.0200
  1719 CA   CYS    286      0.0124     75.4581     66.3900
  1725 CA   TRP    287      0.0116     75.4192     63.7100
  1739 CA   THR    288      0.0160     75.6293     66.5100
  1746 CA   PRO    289      0.0166     75.6605     72.0100
  1753 CA   ILE    290      0.0148     75.5724     73.2500
  1761 CA   HIS    291      0.0143     75.5494     72.5000
  1771 CA   ILE    292      0.0206     75.8499     73.6700
  1779 CA   PHE    293      0.0197     75.8068     73.2700
  1790 CA   ILE    294      0.0212     75.8819     70.6700
  1798 CA   LEU    295      0.0233     75.9812     75.0100
  1806 CA   VAL    296      0.0428     76.9205     82.8100
  1813 CA   GLU    297      0.0462     77.0815     84.3300
  1818 CA   ALA    298      0.0492     77.2276     85.4100
  1823 CA   LEU    299      0.0757     78.5022     89.1100
  1831 CA   GLY    300      0.2039     84.6656    121.5300
  1835 CA   THR    302      0.1292     81.0748    127.4200
  1840 CA   SER    303      0.1239     80.8211    127.0900
  1846 CA   HIS    304      0.1174     80.5083    124.8500
  1856 CA   SER    305      0.1199     80.6276    119.6400
  1861 CA   THR    306      0.0905     79.2148    112.4400
  1868 CA   ALA    307      0.0797     78.6940    105.2300
  1873 CA   ALA    308      0.0448     77.0133     98.0300
  1878 CA   LEU    309      0.0310     76.3523     88.8600
  1886 CA   SER    310      0.0264     76.1317     81.2500
  1892 CA   SER    311      0.0269     76.1547     75.1100
  1898 CA   TYR    312      0.0179     75.7200     68.7200
  1910 CA   TYR    313      0.0143     75.5500     64.8900
  1922 CA   PHE    314      0.0162     75.6375     69.0700
  1933 CA   CYS    315      0.0153     75.5962     69.2100
  1939 CA   ILE    316      0.0123     75.4537     68.8300
  1947 CA   ALA    317      0.0124     75.4564     68.9100
  1952 CA   LEU    318      0.0127     75.4697     71.4900
  1960 CA   GLY    319      0.0109     75.3850     68.2100
  1964 CA   TYR    320      0.0098     75.3318     64.9000
  1976 CA   THR    321      0.0115     75.4110     66.8700
  1983 CA   ASN    322      0.0097     75.3261     68.2200
  1991 CA   SER    323      0.0092     75.3019     70.6700
  1997 CA   SER    324      0.0119     75.4323     73.5500
  2003 CA   LEU    325      0.0126     75.4657     76.7100
  2011 CA   ASN    326      0.0100     75.3417     79.7400
  2019 CA   PRO    327      0.0116     75.4162     84.5500
  2026 CA   ILE    328      0.0177     75.7097     87.7200
  2031 CA   LEU    329      0.0165     75.6529     90.4900
  2036 CA   TYR    330      0.0119     75.4307     97.5800
  2048 CA   ALA    331      0.0168     75.6681    105.0200
  2053 CA   PHE    332      0.0255     76.0850    113.0000
  2064 CA   LEU    333      0.0340     76.4950    115.9700
  2072 CA   ASP    334      0.0403     76.7967    117.8400
  2080 CA   GLU    335      0.0926     79.3153    122.5000
  2089 CA   ASN    336      0.0720     78.3247    121.6900
  2094 CA   PHE    337      0.0394     76.7552    117.3800
  2105 CA   LYS    338      0.0850     78.9466    119.9100
  2114 CA   ARG    339      0.1654     82.8161    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.