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***  01-JUN-22  ***

B-factor analysis for ID 240108103532197120

Overall B-factor prediction

Correlation= -0.370 for 314 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   MET      1     48.9623     95.3690     34.6000
    10 CA   GLY      2     36.5682     90.0532     34.1100
    14 CA   PRO      3     27.1692     86.0221     36.6100
    21 CA   LEU      4     20.6496     83.2259     37.8900
    29 CA   ILE      5     18.2513     82.1972     41.5100
    37 CA   ASN      6     13.9093     80.3350     35.8900
    45 CA   ARG      7     13.9582     80.3559     39.5200
    56 CA   CYS      8     11.7511     79.4093     41.2400
    62 CA   LYS      9     11.7108     79.3920     38.9400
    71 CA   LYS     10     11.2979     79.2149     37.0500
    80 CA   ILE     11      9.9813     78.6503     40.0400
    88 CA   LEU     12     10.9632     79.0714     37.7200
    96 CA   LEU     13     10.1997     78.7440     39.9100
   104 CA   PRO     14     11.7885     79.4254     43.5200
   111 CA   THR     15     12.7782     79.8498     41.6700
   118 CA   THR     16     13.9883     80.3689     45.4500
   125 CA   VAL     17     16.7188     81.5400     47.8000
   132 CA   PRO     18     18.1106     82.1369     49.1900
   139 CA   PRO     19     21.7212     83.6854     51.9600
   146 CA   ALA     20     26.7377     85.8370     49.8600
   151 CA   THR     21     28.7529     86.7013     43.8100
   158 CA   MET     22     32.2107     88.1843     44.6600
   166 CA   ARG     23     36.5994     90.0666     42.6100
   177 CA   ILE     24     38.5276     90.8936     52.3100
   185 CA   TRP     25     44.9659     93.6550     43.1400
   199 CA   LEU     26     46.6852     94.3923     47.7700
   207 CA   LEU     27     54.3206     97.6671     46.7200
   215 CA   GLY     28     57.6560     99.0977     45.9200
   219 CA   GLY     29     62.1891    101.0419     49.1600
   223 CA   LEU     30     62.6485    101.2389     45.2600
   231 CA   LEU     31     60.2167    100.1959     51.4100
   239 CA   PRO     32     54.0095     97.5337     48.7400
   246 CA   PHE     33     51.0822     96.2782     56.1200
   257 CA   LEU     34     40.7625     91.8521     51.8400
   265 CA   LEU     35     35.1674     89.4524     55.4300
   273 CA   LEU     36     34.3338     89.0949     54.8700
   281 CA   LEU     37     28.1279     86.4332     52.9000
   289 CA   SER     38     23.6372     84.5072     52.6400
   295 CA   GLY     39     24.1502     84.7272     52.6000
   299 CA   LEU     40     20.1586     83.0152     48.3300
   307 CA   GLN     41     15.3973     80.9731     49.8000
   316 CA   ARG     42     14.3739     80.5342     49.9300
   327 CA   PRO     43     11.6075     79.3478     46.7600
   334 CA   THR     44      9.9616     78.6418     42.5300
   341 CA   GLU     45      8.6708     78.0882     46.5800
   350 CA   GLY     46      7.5617     77.6125     41.7200
   354 CA   SER     47      7.2172     77.4648     43.2200
   360 CA   GLU     48      5.4857     76.7222     54.7300
   369 CA   VAL     49      5.1407     76.5742     59.4400
   376 CA   ALA     50      4.2403     76.1880     75.0100
   381 CA   ILE     51      3.2211     75.7509     83.1400
   389 CA   LYS     52      3.4411     75.8452     91.3000
   398 CA   ILE     53      2.4983     75.4408     94.8500
   406 CA   ASP     54      3.0258     75.6671     96.6200
   414 CA   PHE     55      2.2578     75.3377     95.2900
   425 CA   ASP     56      1.6573     75.0802     93.0300
   433 CA   PHE     57      1.3795     74.9610     91.6400
   444 CA   ALA     58      1.2964     74.9254     90.5100
   449 CA   PRO     59      1.8533     75.1642     89.5900
   456 CA   GLY     60      2.0854     75.2638     88.2600
   460 CA   SER     61      1.2341     74.8986     92.7100
   466 CA   PHE     62      1.3001     74.9269     95.1800
   477 CA   ASP     63      0.8131     74.7181     95.7600
   485 CA   ASP     64      1.1859     74.8780     96.2900
   493 CA   GLN     65      1.0576     74.8229     97.9600
   502 CA   TYR     66      1.7418     75.1164     97.9900
   514 CA   GLN     67      2.1244     75.2805     97.6700
   523 CA   GLY     68      3.1260     75.7101     97.6700
   527 CA   CYS     69      3.1706     75.7292     98.1000
   533 CA   SER     70      2.5052     75.4438     97.2800
   539 CA   LYS     71      3.5582     75.8954     96.5700
   548 CA   GLN     72      4.2487     76.1916     97.8200
   557 CA   VAL     73      3.3145     75.7909     97.6300
   564 CA   MET     74      3.3408     75.8022     96.9000
   572 CA   GLU     75      4.7881     76.4230     96.5700
   581 CA   LYS     76      4.9688     76.5004     95.5600
   590 CA   LEU     77      4.1159     76.1346     96.5700
   598 CA   THR     78      5.0183     76.5217     94.3400
   605 CA   GLN     79      6.5533     77.1800     94.3300
   614 CA   GLY     80      6.3654     77.0994     91.6700
   618 CA   ASP     81      6.5591     77.1825     93.8600
   626 CA   TYR     82      4.7747     76.4172     94.8100
   638 CA   PHE     83      4.5198     76.3079     96.0300
   649 CA   THR     84      6.0861     76.9797     95.4600
   656 CA   LYS     85      5.7724     76.8451     93.5500
   665 CA   ASP     86      4.1254     76.1387     93.1800
   673 CA   ILE     87      4.3525     76.2361     94.1200
   681 CA   GLU     88      6.0027     76.9439     93.8100
   690 CA   ALA     89      7.0404     77.3890     93.0200
   695 CA   GLN     90      6.0653     76.9707     93.1300
   704 CA   LYS     91      7.0057     77.3741     93.3800
   713 CA   ASN     92      5.7230     76.8239     95.1000
   721 CA   TYR     93      4.3653     76.2416     96.5600
   733 CA   PHE     94      5.3394     76.6594     96.2900
   744 CA   ARG     95      5.8065     76.8597     96.6800
   755 CA   MET     96      4.2795     76.2048     96.5700
   763 CA   TRP     97      3.9322     76.0558     97.3400
   777 CA   GLN     98      5.2818     76.6347     97.1500
   786 CA   LYS     99      4.9987     76.5133     96.3100
   795 CA   ALA    100      3.7115     75.9612     95.9400
   800 CA   HIS    101      4.4449     76.2758     96.6800
   810 CA   LEU    102      5.6819     76.8063     96.4100
   818 CA   ALA    103      4.8433     76.4466     94.7100
   823 CA   TRP    104      4.3080     76.2170     95.4700
   837 CA   LEU    105      5.7608     76.8401     94.8400
   845 CA   ASN    106      6.5414     77.1749     94.4200
   853 CA   GLN    107      5.7708     76.8444     92.9300
   862 CA   GLY    108      6.7151     77.2494     89.8600
   866 CA   LYS    109      5.5790     76.7621     92.6300
   875 CA   VAL    110      5.3920     76.6820     93.5000
   882 CA   LEU    111      4.0698     76.1149     94.2500
   890 CA   PRO    112      3.5868     75.9077     91.5600
   897 CA   GLN    113      3.9077     76.0453     88.3700
   906 CA   ASN    114      3.4756     75.8600     91.7900
   914 CA   MET    115      2.8840     75.6063     95.3100
   922 CA   THR    116      3.3532     75.8075     96.0400
   929 CA   THR    117      3.6483     75.9341     96.3800
   936 CA   THR    118      2.9621     75.6398     97.0700
   943 CA   HIS    119      2.0520     75.2494     97.7500
   953 CA   ALA    120      2.4142     75.4048     96.8300
   958 CA   VAL    121      2.6869     75.5218     97.0100
   965 CA   ALA    122      1.8206     75.1502     97.1500
   970 CA   ILE    123      1.4550     74.9934     96.5800
   978 CA   LEU    124      2.2084     75.3165     95.5700
   986 CA   PHE    125      2.2503     75.3345     95.7800
   997 CA   TYR    126      1.4246     74.9804     95.5400
  1009 CA   THR    127      1.6211     75.0646     92.5500
  1016 CA   LEU    128      2.5682     75.4708     90.6300
  1024 CA   ASN    129      2.5949     75.4823     90.7100
  1032 CA   SER    130      2.3346     75.3707     87.9500
  1038 CA   ASN    131      2.8333     75.5845     90.9400
  1046 CA   VAL    132      2.2492     75.3340     92.8100
  1053 CA   HIS    133      1.4192     74.9780     91.2700
  1063 CA   SER    134      1.8313     75.1548     92.2400
  1069 CA   ASP    135      2.3320     75.3695     93.9700
  1077 CA   PHE    136      1.5527     75.0353     94.5800
  1088 CA   THR    137      1.1410     74.8587     92.4800
  1095 CA   ARG    138      1.9766     75.2171     92.4100
  1106 CA   ALA    139      2.1940     75.3104     92.3900
  1111 CA   MET    140      1.3996     74.9696     92.8100
  1119 CA   ALA    141      1.6669     75.0843     87.8600
  1124 CA   SER    142      2.7372     75.5433     75.9000
  1130 CA   VAL    143      2.7142     75.5335     72.1900
  1137 CA   ALA    144      3.8991     76.0417     62.4400
  1142 CA   ARG    145      4.0386     76.1015     71.9200
  1153 CA   THR    146      5.1174     76.5642     82.8100
  1160 CA   PRO    147      5.0155     76.5205     85.1400
  1167 CA   GLN    148      6.4302     77.1272     83.5900
  1176 CA   GLN    149      5.5703     76.7584     84.7100
  1185 CA   TYR    150      4.0583     76.1099     90.2900
  1197 CA   GLU    151      5.1252     76.5675     86.7400
  1206 CA   ARG    152      5.9928     76.9396     85.6600
  1217 CA   SER    153      4.7193     76.3934     86.0600
  1223 CA   PHE    154      3.2958     75.7829     92.3900
  1234 CA   HIS    155      3.5863     75.9075     91.5900
  1244 CA   PHE    156      2.3785     75.3895     94.8100
  1255 CA   LYS    157      2.4749     75.4308     95.2600
  1264 CA   TYR    158      2.5312     75.4550     96.4300
  1276 CA   LEU    159      1.7049     75.1006     97.0700
  1284 CA   HIS    160      1.1370     74.8570     97.3800
  1294 CA   TYR    161      1.4215     74.9790     98.0800
  1306 CA   TYR    162      1.4782     75.0034     98.3500
  1318 CA   LEU    163      0.8519     74.7347     97.7500
  1326 CA   THR    164      0.6641     74.6542     98.4300
  1333 CA   SER    165      1.1648     74.8689     98.1900
  1339 CA   ALA    166      1.2128     74.8895     97.6800
  1344 CA   ILE    167      0.8402     74.7297     97.5500
  1352 CA   GLN    168      1.1271     74.8528     97.1800
  1361 CA   LEU    169      1.7776     75.1318     96.3400
  1369 CA   LEU    170      1.8428     75.1597     95.0000
  1377 CA   ARG    171      1.7530     75.1212     93.7300
  1388 CA   LYS    172      2.4480     75.4193     92.5900
  1397 CA   ASP    173      3.1282     75.7110     88.5400
  1405 CA   SER    174      3.2152     75.7483     87.8800
  1411 CA   ILE    175      3.6015     75.9140     88.8900
  1419 CA   MET    176      4.5796     76.3335     85.6500
  1427 CA   GLU    177      5.2545     76.6230     84.6500
  1436 CA   ASN    178      5.4443     76.7044     82.1300
  1444 CA   GLY    179      5.1611     76.5829     82.9600
  1448 CA   THR    180      4.1601     76.1536     78.6700
  1455 CA   LEU    181      3.4479     75.8482     85.7700
  1463 CA   CYS    182      2.7571     75.5519     95.8800
  1469 CA   TYR    183      2.6611     75.5107     95.3800
  1481 CA   GLU    184      3.0750     75.6882     95.7300
  1490 CA   VAL    185      2.3468     75.3759     96.0300
  1497 CA   HIS    186      2.4221     75.4082     94.1200
  1507 CA   TYR    187      1.7727     75.1297     92.1500
  1519 CA   ARG    188      2.2374     75.3290     87.6600
  1530 CA   THR    189      2.1060     75.2726     83.1300
  1537 CA   LYS    190      2.8888     75.6084     72.3900
  1546 CA   ASP    191      3.7102     75.9606     63.9300
  1554 CA   VAL    192      3.2108     75.7464     70.5900
  1561 CA   HIS    193      3.8575     76.0238     76.6900
  1571 CA   PHE    194      3.2291     75.7543     83.0500
  1582 CA   ASN    195      4.0517     76.1071     85.8600
  1590 CA   ALA    196      3.8595     76.0247     92.3400
  1595 CA   TYR    197      4.8605     76.4540     95.1100
  1607 CA   THR    198      5.1166     76.5638     96.6500
  1614 CA   GLY    199      4.5479     76.3199     96.6400
  1618 CA   ALA    200      3.5448     75.8897     97.3800
  1623 CA   THR    201      2.4962     75.4399     97.7000
  1630 CA   ILE    202      1.6805     75.0901     96.9900
  1638 CA   ARG    203      1.0227     74.8080     96.1200
  1649 CA   PHE    204      0.6810     74.6614     95.1300
  1660 CA   GLY    205      0.5964     74.6252     93.9900
  1664 CA   GLN    206      0.3900     74.5366     94.4000
  1673 CA   PHE    207      0.2620     74.4817     96.4500
  1684 CA   LEU    208      0.4547     74.5644     94.8200
  1692 CA   SER    209      0.8546     74.7359     93.4100
  1698 CA   THR    210      1.3267     74.9384     94.2000
  1705 CA   SER    211      2.2936     75.3531     92.5100
  1711 CA   LEU    212      3.1096     75.7030     91.1100
  1719 CA   LEU    213      4.1892     76.1661     85.6300
  1727 CA   LYS    214      4.7572     76.4097     79.5900
  1736 CA   GLU    215      5.7007     76.8143     63.6300
  1745 CA   GLU    216      4.3366     76.2293     58.7100
  1754 CA   ALA    217      4.1055     76.1302     57.9100
  1759 CA   GLN    218      5.7080     76.8175     59.3900
  1768 CA   GLU    219      5.7920     76.8535     58.8600
  1777 CA   PHE    220      5.4431     76.7039     59.4100
  1788 CA   GLY    221      5.5833     76.7640     65.7300
  1792 CA   ASN    222      5.1426     76.5750     73.3900
  1800 CA   GLN    223      3.8024     76.0002     81.0700
  1809 CA   THR    224      3.1627     75.7258     88.1900
  1816 CA   LEU    225      3.0619     75.6826     90.5000
  1824 CA   PHE    226      2.4279     75.4107     93.4400
  1835 CA   THR    227      2.9229     75.6230     95.2700
  1842 CA   ILE    228      2.1139     75.2760     97.4000
  1850 CA   PHE    229      2.4691     75.4283     97.5300
  1861 CA   THR    230      1.5551     75.0363     98.3100
  1868 CA   CYS    231      1.7614     75.1248     97.2600
  1874 CA   LEU    232      1.0146     74.8045     97.4500
  1882 CA   GLY    233      0.8797     74.7467     97.6300
  1886 CA   ALA    234      1.2417     74.9019     96.0100
  1891 CA   PRO    235      1.8392     75.1582     94.8300
  1898 CA   VAL    236      1.8084     75.1450     94.3900
  1905 CA   GLN    237      2.8366     75.5860     91.0300
  1914 CA   TYR    238      3.2708     75.7722     90.0600
  1926 CA   PHE    239      2.8310     75.5836     91.3800
  1937 CA   SER    240      2.7473     75.5477     81.5200
  1943 CA   LEU    241      3.7809     75.9910     76.2700
  1951 CA   LYS    242      3.0748     75.6881     81.3000
  1960 CA   LYS    243      3.0150     75.6625     85.6500
  1969 CA   GLU    244      1.8683     75.1706     91.4000
  1978 CA   VAL    245      1.3159     74.9337     95.4500
  1985 CA   LEU    246      0.6569     74.6511     96.9000
  1993 CA   ILE    247      0.4278     74.5528     98.0800
  2001 CA   PRO    248      0.2447     74.4743     98.2100
  2008 CA   PRO    249      0.2845     74.4914     97.1500
  2015 CA   TYR    250      0.5424     74.6020     97.1600
  2027 CA   GLU    251      0.6825     74.6621     98.3500
  2036 CA   LEU    252      1.1967     74.8826     98.1000
  2044 CA   PHE    253      1.6816     75.0906     98.4400
  2055 CA   LYS    254      2.7318     75.5410     98.2400
  2064 CA   VAL    255      3.3134     75.7904     97.9100
  2071 CA   ILE    256      4.5036     76.3009     97.7500
  2079 CA   ASN    257      5.1817     76.5918     96.3800
  2087 CA   MET    258      5.1292     76.5692     92.9200
  2095 CA   SER    259      6.1492     77.0067     90.1200
  2101 CA   TYR    260      6.2668     77.0571     86.3800
  2113 CA   HIS    261      7.2506     77.4791     78.7600
  2123 CA   PRO    262      7.7906     77.7107     77.1500
  2130 CA   ARG    263      6.9367     77.3445     78.4300
  2141 CA   GLY    264      5.3037     76.6441     81.5300
  2145 CA   ASN    265      4.5700     76.3294     87.4400
  2153 CA   TRP    266      4.2719     76.2016     91.2200
  2167 CA   LEU    267      3.5124     75.8758     93.6800
  2175 CA   GLN    268      3.5397     75.8875     96.1400
  2184 CA   LEU    269      2.5721     75.4725     97.8800
  2192 CA   ARG    270      2.6504     75.5061     98.2800
  2203 CA   SER    271      1.9376     75.2004     98.2000
  2209 CA   THR    272      2.3604     75.3817     96.8100
  2216 CA   GLY    273      1.8345     75.1562     95.5800
  2220 CA   ASN    274      1.2171     74.8914     96.2400
  2228 CA   LEU    275      1.3617     74.9534     94.7300
  2236 CA   SER    276      1.2909     74.9230     94.3400
  2242 CA   THR    277      1.9200     75.1928     92.1900
  2249 CA   TYR    278      2.0294     75.2398     93.4400
  2261 CA   ASN    279      2.2560     75.3369     95.4600
  2269 CA   CYS    280      2.7877     75.5650     95.5300
  2275 CA   GLN    281      3.1501     75.7204     93.9400
  2284 CA   LEU    282      3.6571     75.9379     93.6800
  2292 CA   LEU    283      4.6167     76.3494     94.2500
  2300 CA   LYS    284      5.1096     76.5608     92.9700
  2309 CA   ALA    285      5.5635     76.7555     90.0100
  2314 CA   SER    286      6.6466     77.2200     85.4600
  2320 CA   SER    287      7.5986     77.6283     78.7800
  2326 CA   LYS    288      8.7671     78.1295     63.4200
  2335 CA   LYS    289      9.8944     78.6130     59.8900
  2344 CA   CYS    290     11.3298     79.2286     51.5500
  2350 CA   ILE    291     13.3211     80.0827     48.1200
  2358 CA   PRO    292     14.4709     80.5758     48.4900
  2365 CA   ASP    293     16.1609     81.3006     48.2800
  2373 CA   PRO    294     17.1194     81.7118     52.1900
  2380 CA   ILE    295     16.8250     81.5855     56.4900
  2388 CA   ALA    296     17.6603     81.9437     51.8000
  2393 CA   ILE    297     16.4985     81.4454     53.4600
  2401 CA   ALA    298     15.9417     81.2067     53.3300
  2406 CA   SER    299     16.4273     81.4149     49.9100
  2412 CA   LEU    300     15.4188     80.9824     50.3800
  2420 CA   SER    301     20.9003     83.3333     54.1800
  2426 CA   PHE    302     24.2703     84.7787     54.3900
  2437 CA   LEU    303     36.2547     89.9188     54.0300
  2445 CA   THR    304     46.6126     94.3612     45.7900
  2452 CA   SER    305     64.8178    102.1693     50.4700
  2458 CA   VAL    306     84.2087    110.4859     48.8000
  2465 CA   ILE    307    108.1590    120.7581     54.9900
  2473 CA   ILE    308    138.7747    133.8889     48.1000
  2481 CA   PHE    309    173.8549    148.9346     50.4400
  2492 CA   SER    310    218.9434    168.2728     45.5300
  2498 CA   LYS    311    270.5028    190.3863     56.2500
  2507 CA   SER    312    328.3694    215.2048     50.3100
  2513 CA   ARG    313    408.0298    249.3707     53.9300
  2524 CA   VAL    314    479.6836    280.1026     59.2600

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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.