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***  6B73.S67A.SM  ***

B-factor analysis for ID 2107200958301945

Overall B-factor prediction

Correlation= 0.454 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      4.3952    287.7887    129.4200
     7 CA   GLY     52      2.9836    219.4136    129.0700
    11 CA   SER     53      2.2611    184.4138    124.0600
    17 CA   ILE     54      1.3828    141.8708    116.6300
    22 CA   SER     55      0.3743     93.0216    105.5600
    28 CA   PRO     56      0.2521     87.1008     99.9000
    35 CA   ALA     57      0.1084     80.1380     89.5300
    40 CA   ILE     58      0.0532     77.4686     78.1200
    48 CA   PRO     59      0.0324     76.4586     70.2900
    55 CA   VAL     60      0.0431     76.9751     70.7700
    62 CA   ILE     61      0.0388     76.7682     68.6400
    70 CA   ILE     62      0.0210     75.9060     66.7700
    78 CA   THR     63      0.0240     76.0498     64.3000
    85 CA   ALA     64      0.0274     76.2147     62.2600
    90 CA   VAL     65      0.0194     75.8278     61.8300
    97 CA   TYR     66      0.0136     75.5507     61.3700
   109 CA   ALA     67      0.0222     75.9654     62.6200
   114 CA   VAL     68      0.0237     76.0390     64.9000
   121 CA   VAL     69      0.0143     75.5837     63.8300
   128 CA   PHE     70      0.0132     75.5288     62.8200
   139 CA   VAL     71      0.0207     75.8907     65.4400
   146 CA   VAL     72      0.0202     75.8700     67.1600
   153 CA   GLY     73      0.0129     75.5141     68.7200
   157 CA   LEU     74      0.0147     75.6015     69.8000
   165 CA   VAL     75      0.0259     76.1436     72.9100
   172 CA   GLY     76      0.0178     75.7531     71.8400
   176 CA   ASN     77      0.0117     75.4558     71.0100
   184 CA   SER     78      0.0185     75.7863     76.1100
   190 CA   LEU     79      0.0236     76.0333     80.6700
   198 CA   VAL     80      0.0168     75.7017     80.7900
   205 CA   MET     81      0.0192     75.8203     83.6100
   213 CA   PHE     82      0.0370     76.6809     87.7600
   224 CA   VAL     83      0.0340     76.5381     87.6700
   231 CA   ILE     84      0.0272     76.2076     84.7000
   239 CA   ILE     85      0.0459     77.1145     90.3700
   247 CA   ARG     86      0.0707     78.3123     98.2800
   252 CA   TYR     87      0.0756     78.5509     99.6300
   264 CA   THR     88      0.0526     77.4361     96.4600
   271 CA   LYS     89      0.0549     77.5507     99.5800
   276 CA   MET     90      0.0364     76.6517     96.3000
   284 CA   LYS     91      0.0597     77.7794     96.1400
   293 CA   THR     92      0.0401     76.8328     88.1300
   300 CA   ALA     93      0.0195     75.8335     80.2900
   305 CA   THR     94      0.0185     75.7881     76.7400
   312 CA   ASN     95      0.0186     75.7922     74.0000
   320 CA   ILE     96      0.0159     75.6577     69.2000
   328 CA   TYR     97      0.0087     75.3089     66.3500
   340 CA   ILE     98      0.0106     75.4045     65.3200
   348 CA   PHE     99      0.0118     75.4614     64.5200
   359 CA   ASN    100      0.0115     75.4484     62.5600
   367 CA   LEU    101      0.0079     75.2744     63.4000
   375 CA   ALA    102      0.0087     75.3131     67.2900
   380 CA   LEU    103      0.0106     75.4006     66.9700
   388 CA   ALA    104      0.0091     75.3292     62.5500
   393 CA   ASP    105      0.0085     75.3001     60.1700
   401 CA   ALA    106      0.0099     75.3669     61.9100
   406 CA   LEU    107      0.0098     75.3621     62.9400
   414 CA   VAL    108      0.0087     75.3123     62.6700
   421 CA   THR    109      0.0098     75.3630     64.3600
   428 CA   THR    110      0.0120     75.4708     63.3600
   435 CA   THR    111      0.0115     75.4473     61.3500
   442 CA   MET    112      0.0101     75.3778     61.2200
   450 CA   PRO    113      0.0146     75.5962     63.6700
   457 CA   PHE    114      0.0145     75.5898     62.6500
   468 CA   GLN    115      0.0128     75.5076     62.5300
   477 CA   SER    116      0.0145     75.5912     65.4500
   483 CA   THR    117      0.0214     75.9251     67.6200
   490 CA   VAL    118      0.0190     75.8080     67.4400
   497 CA   TYR    119      0.0187     75.7950     69.3200
   509 CA   LEU    120      0.0248     76.0887     71.8800
   517 CA   MET    121      0.0426     76.9549     76.3100
   525 CA   ASN    122      0.0445     77.0444     81.0000
   533 CA   SER    123      0.0380     76.7296     83.4800
   539 CA   TRP    124      0.0287     76.2776     81.3600
   553 CA   PRO    125      0.0470     77.1671     86.2900
   560 CA   PHE    126      0.0430     76.9738     87.2300
   571 CA   GLY    127      0.0450     77.0674     88.8000
   575 CA   ASP    128      0.0371     76.6880     85.6000
   583 CA   VAL    129      0.0448     77.0600     84.8700
   590 CA   LEU    130      0.0323     76.4523     77.2600
   598 CA   CYS    131      0.0217     75.9386     76.3200
   604 CA   LYS    132      0.0223     75.9673     75.3900
   613 CA   ILE    133      0.0239     76.0464     72.2400
   621 CA   VAL    134      0.0173     75.7285     68.6500
   628 CA   LEU    135      0.0141     75.5708     69.8000
   636 CA   SER    136      0.0150     75.6170     71.8200
   642 CA   ILE    137      0.0117     75.4575     70.1800
   650 CA   ASP    138      0.0105     75.3991     70.2200
   658 CA   TYR    139      0.0113     75.4362     69.7100
   670 CA   TYR    140      0.0112     75.4342     68.5500
   682 CA   ASN    141      0.0086     75.3040     64.8300
   690 CA   MET    142      0.0084     75.2967     63.3700
   698 CA   PHE    143      0.0095     75.3520     63.1700
   709 CA   THR    144      0.0088     75.3178     64.1200
   716 CA   SER    145      0.0074     75.2487     62.8800
   722 CA   ILE    146      0.0077     75.2609     60.9300
   730 CA   PHE    147      0.0086     75.3057     62.1400
   741 CA   THR    148      0.0078     75.2690     62.2000
   748 CA   LEU    149      0.0075     75.2525     64.0600
   756 CA   THR    150      0.0084     75.2962     65.5800
   763 CA   MET    151      0.0090     75.3268     68.9600
   771 CA   MET    152      0.0079     75.2703     71.0600
   779 CA   SER    153      0.0103     75.3861     68.5200
   785 CA   VAL    154      0.0127     75.5025     66.9200
   792 CA   ASP    155      0.0127     75.5032     66.0400
   800 CA   ARG    156      0.0117     75.4544     62.2600
   811 CA   TYR    157      0.0172     75.7204     60.6100
   823 CA   ILE    158      0.0229     75.9970     62.9100
   831 CA   ALA    159      0.0281     76.2490     65.2700
   836 CA   VAL    160      0.0325     76.4638     67.3000
   843 CA   CYS    161      0.0417     76.9075     67.3500
   849 CA   HIS    162      0.0497     77.2962     69.6600
   859 CA   PRO    163      0.0700     78.2793     72.2900
   866 CA   VAL    164      0.1079     80.1180     72.3600
   873 CA   LYS    165      0.0672     78.1430     67.8900
   882 CA   ALA    166      0.0404     76.8487     63.1900
   887 CA   LEU    167      0.0833     78.9240     65.1500
   895 CA   ASP    168      0.0768     78.6083     69.8400
   903 CA   PHE    169      0.0302     76.3501     69.2600
   914 CA   ARG    170      0.0249     76.0941     70.6300
   925 CA   THR    171      0.0306     76.3719     74.0800
   932 CA   PRO    172      0.0296     76.3246     75.1000
   939 CA   LEU    173      0.0429     76.9657     75.0300
   947 CA   LYS    174      0.0286     76.2752     69.8700
   956 CA   ALA    175      0.0173     75.7257     67.2300
   961 CA   LYS    176      0.0253     76.1131     64.8100
   970 CA   ILE    177      0.0318     76.4300     62.9000
   978 CA   ILE    178      0.0219     75.9519     62.0300
   986 CA   ASN    179      0.0178     75.7537     66.4100
   994 CA   ILE    180      0.0337     76.5222     71.6300
  1002 CA   CYS    181      0.0317     76.4235     72.9400
  1008 CA   ILE    182      0.0177     75.7448     72.2500
  1016 CA   TRP    183      0.0274     76.2190     80.2000
  1030 CA   LEU    184      0.0401     76.8296     79.2400
  1038 CA   LEU    185      0.0258     76.1410     76.6200
  1046 CA   SER    186      0.0176     75.7428     76.4400
  1052 CA   SER    187      0.0294     76.3131     78.9700
  1058 CA   SER    188      0.0403     76.8405     80.2600
  1063 CA   VAL    189      0.0211     75.9129     77.0500
  1070 CA   GLY    190      0.0192     75.8208     76.3400
  1074 CA   ILE    191      0.0454     77.0905     78.4700
  1082 CA   SER    192      0.0359     76.6300     76.5200
  1087 CA   ALA    193      0.0199     75.8552     74.8200
  1092 CA   ILE    194      0.0273     76.2134     78.5500
  1100 CA   VAL    195      0.0411     76.8802     80.3200
  1107 CA   LEU    196      0.0333     76.5008     78.1600
  1115 CA   GLY    197      0.0232     76.0140     77.1400
  1119 CA   GLY    198      0.0284     76.2672     81.9700
  1123 CA   THR    199      0.0375     76.7038     89.3100
  1130 CA   LYS    200      0.0595     77.7705     96.1700
  1135 CA   VAL    201      0.1537     82.3357    102.0500
  1140 CA   ARG    202      0.2391     86.4703    122.0400
  1145 CA   ASP    206      0.3273     90.7428     89.1000
  1150 CA   VAL    207      0.1207     80.7337     83.9700
  1155 CA   ILE    208      0.0558     77.5916     82.5500
  1163 CA   GLU    209      0.0433     76.9889     79.1300
  1172 CA   CYS    210      0.0252     76.1119     76.5400
  1178 CA   SER    211      0.0281     76.2487     76.6600
  1184 CA   LEU    212      0.0253     76.1167     74.1100
  1192 CA   GLN    213      0.0313     76.4039     80.4400
  1201 CA   PHE    214      0.0649     78.0320     88.5200
  1212 CA   PRO    215      0.1337     81.3651     99.3500
  1219 CA   ASP    216      0.2535     87.1692    100.8400
  1224 CA   ASP    217      0.3915     93.8528    105.9600
  1229 CA   ASP    218      0.4187     95.1730    108.0000
  1237 CA   TYR    219      0.3435     91.5271    102.5600
  1249 CA   SER    220      0.1221     80.8031     97.6700
  1255 CA   TRP    221      0.0740     78.4761     91.2700
  1269 CA   TRP    222      0.0469     77.1625     91.0300
  1283 CA   ASP    223      0.0326     76.4685     87.4200
  1291 CA   LEU    224      0.0334     76.5051     82.4100
  1299 CA   PHE    225      0.0389     76.7722     81.1200
  1310 CA   MET    226      0.0283     76.2616     76.9700
  1315 CA   LYS    227      0.0229     75.9977     75.3400
  1324 CA   ILE    228      0.0248     76.0885     75.1900
  1332 CA   CYS    229      0.0294     76.3125     76.2200
  1338 CA   VAL    230      0.0184     75.7800     72.3000
  1345 CA   PHE    231      0.0148     75.6049     69.6500
  1356 CA   ILE    232      0.0197     75.8446     71.3200
  1364 CA   PHE    233      0.0203     75.8746     71.3900
  1375 CA   ALA    234      0.0128     75.5093     67.4000
  1380 CA   PHE    235      0.0125     75.4965     64.7700
  1391 CA   VAL    236      0.0191     75.8140     66.1400
  1398 CA   ILE    237      0.0207     75.8915     66.6300
  1406 CA   PRO    238      0.0139     75.5626     64.8300
  1413 CA   VAL    239      0.0155     75.6407     66.8000
  1420 CA   LEU    240      0.0254     76.1210     69.8200
  1428 CA   ILE    241      0.0190     75.8086     67.1100
  1436 CA   ILE    242      0.0132     75.5273     67.7000
  1444 CA   ILE    243      0.0200     75.8605     65.0400
  1452 CA   VAL    244      0.0271     76.2004     64.1800
  1459 CA   CYS    245      0.0176     75.7418     66.4900
  1465 CA   TYR    246      0.0157     75.6498     65.1500
  1477 CA   THR    247      0.0270     76.1974     66.0100
  1484 CA   LEU    248      0.0308     76.3816     66.5900
  1492 CA   MET    249      0.0221     75.9615     69.9300
  1500 CA   ILE    250      0.0324     76.4582     72.8400
  1508 CA   LEU    251      0.0526     77.4355     75.0700
  1513 CA   ARG    252      0.0513     77.3762     76.0700
  1524 CA   LEU    253      0.0617     77.8785     77.6000
  1532 CA   LYS    254      0.1226     80.8288     85.2100
  1537 CA   SER    255      0.1725     83.2450     90.2100
  1543 CA   VAL    256      0.2418     86.6043     93.5400
  1550 CA   ARG    257      0.5711    102.5524    121.6900
  1555 CA   SER    262      0.7840    112.8640    127.8100
  1560 CA   ARG    263      0.6650    107.1012    127.0300
  1565 CA   GLU    264      0.4912     98.6841    121.0800
  1570 CA   LYS    265      0.2865     88.7666    114.0300
  1575 CA   ASP    266      0.2838     88.6360    113.6000
  1583 CA   ARG    267      0.2709     88.0105    110.7400
  1588 CA   ASN    268      0.1578     82.5355    101.2100
  1596 CA   LEU    269      0.0919     79.3435     96.0800
  1601 CA   ARG    270      0.1194     80.6725     92.9000
  1606 CA   ARG    271      0.1029     79.8761     86.5800
  1611 CA   ILE    272      0.0464     77.1363     80.0300
  1619 CA   THR    273      0.0462     77.1288     79.7200
  1626 CA   ARG    274      0.0610     77.8426     81.6800
  1637 CA   LEU    275      0.0339     76.5298     79.9000
  1645 CA   VAL    276      0.0228     75.9924     75.6700
  1652 CA   LEU    277      0.0389     76.7739     77.2500
  1660 CA   VAL    278      0.0284     76.2657     75.3500
  1667 CA   VAL    279      0.0176     75.7435     71.6800
  1674 CA   VAL    280      0.0169     75.7083     71.8000
  1681 CA   ALA    281      0.0222     75.9667     71.0200
  1686 CA   VAL    282      0.0146     75.5985     65.6900
  1693 CA   PHE    283      0.0118     75.4631     60.3500
  1704 CA   VAL    284      0.0158     75.6529     60.9900
  1711 CA   VAL    285      0.0188     75.7995     64.0200
  1718 CA   CYS    286      0.0119     75.4638     66.3900
  1724 CA   TRP    287      0.0112     75.4324     63.7100
  1738 CA   THR    288      0.0155     75.6420     66.5100
  1745 CA   PRO    289      0.0161     75.6692     72.0100
  1752 CA   ILE    290      0.0144     75.5886     73.2500
  1760 CA   HIS    291      0.0140     75.5657     72.5000
  1770 CA   ILE    292      0.0202     75.8672     73.6700
  1778 CA   PHE    293      0.0192     75.8198     73.2700
  1789 CA   ILE    294      0.0208     75.8989     70.6700
  1797 CA   LEU    295      0.0229     76.0002     75.0100
  1805 CA   VAL    296      0.0424     76.9446     82.8100
  1812 CA   GLU    297      0.0457     77.1031     84.3300
  1817 CA   ALA    298      0.0490     77.2625     85.4100
  1822 CA   LEU    299      0.0752     78.5325     89.1100
  1830 CA   GLY    300      0.2035     84.7445    121.5300
  1834 CA   THR    302      0.1288     81.1304    127.4200
  1839 CA   SER    303      0.1228     80.8400    127.0900
  1845 CA   HIS    304      0.1163     80.5220    124.8500
  1855 CA   SER    305      0.1184     80.6239    119.6400
  1860 CA   THR    306      0.0885     79.1784    112.4400
  1867 CA   ALA    307      0.0775     78.6437    105.2300
  1872 CA   ALA    308      0.0434     76.9936     98.0300
  1877 CA   LEU    309      0.0302     76.3500     88.8600
  1885 CA   SER    310      0.0245     76.0773     81.2500
  1891 CA   SER    311      0.0250     76.0982     75.1100
  1897 CA   TYR    312      0.0170     75.7110     68.7200
  1909 CA   TYR    313      0.0134     75.5368     64.8900
  1921 CA   PHE    314      0.0142     75.5790     69.0700
  1932 CA   CYS    315      0.0139     75.5642     69.2100
  1938 CA   ILE    316      0.0112     75.4307     68.8300
  1946 CA   ALA    317      0.0107     75.4059     68.9100
  1951 CA   LEU    318      0.0115     75.4469     71.4900
  1959 CA   GLY    319      0.0101     75.3782     68.2100
  1963 CA   TYR    320      0.0090     75.3255     64.9000
  1975 CA   THR    321      0.0105     75.3963     66.8700
  1982 CA   ASN    322      0.0090     75.3263     68.2200
  1990 CA   SER    323      0.0085     75.3027     70.6700
  1996 CA   SER    324      0.0106     75.4032     73.5500
  2002 CA   LEU    325      0.0117     75.4573     76.7100
  2010 CA   ASN    326      0.0095     75.3495     79.7400
  2018 CA   PRO    327      0.0111     75.4262     84.5500
  2025 CA   ILE    328      0.0171     75.7187     87.7200
  2030 CA   LEU    329      0.0159     75.6603     90.4900
  2035 CA   TYR    330      0.0116     75.4537     97.5800
  2047 CA   ALA    331      0.0166     75.6912    105.0200
  2052 CA   PHE    332      0.0253     76.1149    113.0000
  2063 CA   LEU    333      0.0337     76.5202    115.9700
  2071 CA   ASP    334      0.0402     76.8383    117.8400
  2079 CA   GLU    335      0.0927     79.3774    122.5000
  2088 CA   ASN    336      0.0723     78.3903    121.6900
  2093 CA   PHE    337      0.0397     76.8105    117.3800
  2104 CA   LYS    338      0.0854     79.0242    119.9100
  2113 CA   ARG    339      0.1662     82.9403    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.