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***  01-JUL-21  ***

B-factor analysis for ID 21080510522869287

Overall B-factor prediction

Correlation= -0.575 for 302 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      0.4531    203.5447     50.9600
    10 CA   ALA      2      0.2022    138.5374     71.2200
    15 CA   THR      3      0.1268    118.9920     84.4800
    22 CA   GLU      4      0.1211    117.5317     89.2000
    31 CA   GLU      5      0.0609    101.9135     90.7200
    40 CA   HIS      6      0.0461     98.0831     88.8700
    50 CA   GLN      7      0.0635    102.5982     91.6300
    59 CA   ARG      8      0.0514     99.4551     96.1100
    70 CA   LEU      9      0.0266     93.0444     95.5900
    78 CA   ALA     10      0.0332     94.7388     93.3000
    83 CA   SER     11      0.0400     96.5144     96.0100
    89 CA   ILE     12      0.0252     92.6832     96.7400
    97 CA   VAL     13      0.0192     91.1200     94.7700
   104 CA   LYS     14      0.0332     94.7430     93.5200
   113 CA   SER     15      0.0329     94.6788     95.6400
   119 CA   CYS     16      0.0172     90.5932     95.9200
   125 CA   HIS     17      0.0148     89.9710     93.9400
   135 CA   GLU     18      0.0270     93.1413     94.3100
   144 CA   SER     19      0.0235     92.2238     96.0000
   150 CA   LEU     20      0.0145     89.9020     96.5600
   158 CA   ARG     21      0.0195     91.1900     93.9000
   169 CA   GLN     22      0.0347     95.1356     95.1100
   178 CA   LEU     23      0.0278     93.3495     96.2900
   186 CA   THR     24      0.0266     93.0214     96.6600
   193 CA   LYS     25      0.0563    100.7343     94.8800
   202 CA   GLU     26      0.0714    104.6291     95.9800
   211 CA   TYR     27      0.0633    102.5423     96.9200
   223 CA   GLY     28      0.0567    100.8321     96.8100
   227 CA   ALA     29      0.0234     92.2064     96.8500
   232 CA   THR     30      0.0325     94.5546     97.4900
   239 CA   ALA     31      0.0353     95.2920     97.9200
   244 CA   ALA     32      0.0204     91.4385     97.8500
   249 CA   TRP     33      0.0136     89.6703     98.0200
   263 CA   GLN     34      0.0243     92.4452     97.5600
   272 CA   GLU     35      0.0298     93.8697     96.9100
   281 CA   HIS     36      0.0172     90.5917     97.4600
   291 CA   THR     37      0.0179     90.7798     96.8600
   298 CA   SER     38      0.0327     94.6216     96.3800
   304 CA   PRO     39      0.0975    111.4008     94.8200
   311 CA   ARG     40      0.0831    107.6850     95.4000
   322 CA   ASN     41      0.0313     94.2470     95.8300
   330 CA   ALA     42      0.0368     95.6687     95.3800
   335 CA   LYS     43      0.0565    100.7743     96.8600
   344 CA   GLN     44      0.0292     93.7074     96.6900
   353 CA   LEU     45      0.0134     89.6054     97.6100
   361 CA   ALA     46      0.0170     90.5504     97.6800
   366 CA   GLU     47      0.0207     91.5139     97.4700
   375 CA   TYR     48      0.0138     89.7174     97.6600
   387 CA   ALA     49      0.0126     89.3977     97.5900
   392 CA   LYS     50      0.0167     90.4568     97.3000
   401 CA   ALA     51      0.0149     90.0014     96.9100
   406 CA   MET     52      0.0128     89.4670     95.4500
   414 CA   LYS     53      0.0147     89.9607     95.2400
   423 CA   GLN     54      0.0182     90.8574     94.8000
   432 CA   LEU     55      0.0181     90.8324     92.2700
   440 CA   ALA     56      0.0194     91.1554     89.7200
   445 CA   ALA     57      0.0256     92.7820     88.2400
   450 CA   ILE     58      0.0280     93.3918     86.5100
   458 CA   TRP     59      0.0241     92.3919     82.8800
   472 CA   GLU     60      0.0252     92.6766     79.7800
   481 CA   THR     61      0.0571    100.9322     76.9300
   488 CA   ASN     62      0.0520     99.6041     70.2800
   496 CA   ASP     63      0.0342     94.9974     57.3900
   504 CA   GLY     64      0.0668    103.4444     51.0100
   508 CA   LYS     65      0.0974    111.3905     53.5900
   517 CA   VAL     66      0.1443    123.5209     48.3300
   524 CA   GLU     67      0.1819    133.2631     46.6100
   533 CA   LEU     68      0.0869    108.6617     46.6800
   541 CA   GLN     69      0.0628    102.4151     43.6500
   550 CA   ALA     70      0.0328     94.6406     49.7600
   555 CA   ARG     71      0.0169     90.5324     61.2900
   566 CA   SER     72      0.0156     90.1745     83.0800
   572 CA   ARG     73      0.0090     88.4648     89.5800
   583 CA   ILE     74      0.0095     88.5952     91.6900
   591 CA   LYS     75      0.0123     89.3324     92.3100
   600 CA   TRP     76      0.0089     88.4484     94.0600
   614 CA   ALA     77      0.0084     88.3153     96.1100
   619 CA   ILE     78      0.0091     88.5116     96.2400
   627 CA   ASP     79      0.0118     89.2087     95.7800
   635 CA   TYR     80      0.0088     88.4135     97.6600
   647 CA   ILE     81      0.0076     88.1222     98.3300
   655 CA   THR     82      0.0108     88.9467     97.4100
   662 CA   LYS     83      0.0134     89.6168     98.0600
   671 CA   TYR     84      0.0087     88.3861     98.5800
   683 CA   PHE     85      0.0102     88.7727     98.1000
   694 CA   PHE     86      0.0157     90.2089     96.6100
   705 CA   THR     87      0.0323     94.5048     96.5300
   712 CA   GLU     88      0.0294     93.7489     97.9300
   721 CA   GLY     89      0.0159     90.2532     96.6000
   725 CA   ILE     90      0.0131     89.5346     98.5100
   733 CA   TYR     91      0.0101     88.7677     98.2500
   745 CA   LEU     92      0.0140     89.7633     98.1500
   753 CA   GLN     93      0.0177     90.7372     98.1800
   762 CA   LYS     94      0.0125     89.3713     98.3600
   771 CA   ARG     95      0.0120     89.2531     98.2600
   782 CA   GLN     96      0.0197     91.2583     98.1700
   791 CA   ARG     97      0.0207     91.5003     98.2300
   802 CA   GLU     98      0.0128     89.4684     98.1400
   811 CA   GLN     99      0.0206     91.4679     97.7300
   820 CA   ARG    100      0.0310     94.1808     97.8800
   831 CA   LEU    101      0.0234     92.2102     96.9000
   839 CA   LEU    102      0.0224     91.9422     96.9500
   847 CA   GLU    103      0.0439     97.5045     96.2300
   856 CA   SER    104      0.0498     99.0328     96.8600
   862 CA   TYR    105      0.0343     95.0292     96.7800
   874 CA   ARG    106      0.0477     98.4929     95.6100
   885 CA   ALA    107      0.0979    111.5127     95.9400
   890 CA   GLU    108      0.0963    111.0944     95.8800
   899 CA   GLY    109      0.0916    109.8863     95.4400
   903 CA   LYS    110      0.0621    102.2435     95.0800
   912 CA   LEU    111      0.0418     96.9782     94.2900
   920 CA   GLY    112      0.0661    103.2569     92.9300
   924 CA   GLU    113      0.0971    111.3068     92.0400
   933 CA   VAL    114      0.0445     97.6702     93.0000
   940 CA   GLN    115      0.0447     97.7364     93.3600
   949 CA   CYS    116      0.0261     92.9166     96.6100
   955 CA   ARG    117      0.0224     91.9488     97.0300
   966 CA   LEU    118      0.0171     90.5730     97.5500
   974 CA   MET    119      0.0176     90.7135     95.7800
   982 CA   GLU    120      0.0490     98.8286     93.0800
   991 CA   GLU    121      0.0378     95.9251     93.9700
  1000 CA   PRO    122      0.0177     90.7368     94.8200
  1007 CA   PRO    123      0.0274     93.2450     95.4400
  1014 CA   ASP    124      0.0388     96.1923     95.6300
  1022 CA   ARG    125      0.0184     90.8964     97.5300
  1033 CA   LEU    126      0.0115     89.1252     98.2900
  1041 CA   HIS    127      0.0085     88.3381     98.2800
  1051 CA   VAL    128      0.0070     87.9441     98.6700
  1058 CA   LEU    129      0.0053     87.5268     98.8200
  1066 CA   ASP    130      0.0057     87.6126     98.6200
  1074 CA   VAL    131      0.0052     87.4989     98.6700
  1081 CA   GLY    132      0.0059     87.6770     97.0700
  1085 CA   SER    133      0.0086     88.3621     96.1500
  1091 CA   CYS    134      0.0092     88.5164     96.2200
  1097 CA   PHE    135      0.0112     89.0367     96.6000
  1108 CA   ASN    136      0.0105     88.8526     96.4100
  1116 CA   PRO    137      0.0111     89.0184     95.0700
  1123 CA   PHE    138      0.0101     88.7539     95.4900
  1134 CA   SER    139      0.0212     91.6388     94.3000
  1140 CA   SER    140      0.0447     97.7150     90.7700
  1146 CA   ALA    141      0.0270     93.1285     94.0900
  1151 CA   PRO    142      0.0440     97.5477     90.7900
  1158 CA   HIS    143      0.0187     90.9988     94.4300
  1168 CA   LEU    144      0.0130     89.4990     97.7800
  1176 CA   GLU    145      0.0122     89.3006     97.8200
  1185 CA   VAL    146      0.0099     88.6971     98.3700
  1192 CA   THR    147      0.0069     87.9340     98.4500
  1199 CA   ALA    148      0.0076     88.1167     98.5700
  1204 CA   LEU    149      0.0064     87.8041     98.6600
  1212 CA   ASP    150      0.0076     88.0997     98.2900
  1220 CA   LEU    151      0.0091     88.5102     97.6400
  1228 CA   CYS    152      0.0105     88.8712     97.1900
  1234 CA   PRO    153      0.0118     89.2071     97.8100
  1241 CA   ALA    154      0.0142     89.8300     97.1700
  1246 CA   THR    155      0.0302     93.9678     96.4200
  1253 CA   GLU    156      0.0631    102.4955     96.3100
  1262 CA   ASP    157      0.0215     91.7052     97.3000
  1270 CA   VAL    158      0.0125     89.3814     98.4500
  1277 CA   LEU    159      0.0121     89.2701     98.4900
  1285 CA   GLN    160      0.0125     89.3919     98.3800
  1294 CA   ALA    161      0.0088     88.4276     98.2600
  1299 CA   ASP    162      0.0087     88.3951     97.8100
  1307 CA   PHE    163      0.0061     87.7346     98.4600
  1318 CA   LEU    164      0.0070     87.9493     97.8900
  1326 CA   LYS    165      0.0119     89.2368     97.0900
  1335 CA   VAL    166      0.0109     88.9735     98.1200
  1342 CA   GLU    167      0.0196     91.2154     98.3500
  1351 CA   VAL    168      0.0149     89.9991     98.5700
  1358 CA   VAL    169      0.0301     93.9338     98.2500
  1365 CA   PRO    170      0.0533     99.9394     97.4600
  1372 CA   GLY    171      0.0781    106.3705     95.0400
  1376 CA   ILE    172      0.0444     97.6511     97.4200
  1384 CA   ARG    173      0.0547    100.3089     94.0300
  1395 CA   GLU    174      0.0397     96.4397     96.3400
  1404 CA   PRO    175      0.0204     91.4258     98.1100
  1411 CA   GLU    176      0.0261     92.9039     98.2800
  1420 CA   LEU    177      0.0364     95.5657     98.0700
  1428 CA   GLU    178      0.0568    100.8560     96.8600
  1437 CA   GLU    179      0.1113    114.9679     94.0300
  1446 CA   GLY    180      0.0745    105.4518     94.3800
  1450 CA   SER    181      0.0248     92.5729     97.1700
  1456 CA   VAL    182      0.0157     90.2222     98.4400
  1463 CA   ARG    183      0.0201     91.3558     98.1700
  1474 CA   ARG    184      0.0192     91.1039     98.6700
  1485 CA   LEU    185      0.0113     89.0632     98.7400
  1493 CA   PRO    186      0.0138     89.7104     98.4500
  1500 CA   ALA    187      0.0137     89.6939     98.4300
  1505 CA   SER    188      0.0106     88.8945     97.3600
  1511 CA   HIS    189      0.0085     88.3351     97.7200
  1521 CA   TYR    190      0.0071     87.9924     98.3900
  1533 CA   GLU    191      0.0060     87.6925     98.6300
  1542 CA   CYS    192      0.0052     87.4840     98.8000
  1548 CA   VAL    193      0.0044     87.2836     98.9100
  1555 CA   ILE    194      0.0047     87.3584     98.8000
  1563 CA   PHE    195      0.0047     87.3549     98.6400
  1574 CA   SER    196      0.0053     87.5114     95.9200
  1580 CA   LEU    197      0.0057     87.6064     94.5600
  1588 CA   LEU    198      0.0051     87.4604     97.2800
  1596 CA   LEU    199      0.0061     87.7251     96.7600
  1604 CA   GLU    200      0.0070     87.9520     92.7100
  1613 CA   TYR    201      0.0069     87.9198     95.0900
  1625 CA   MET    202      0.0063     87.7773     96.3800
  1633 CA   PRO    203      0.0094     88.5819     94.9400
  1640 CA   SER    204      0.0106     88.8812     96.0800
  1646 CA   ALA    205      0.0106     88.8792     96.5300
  1651 CA   GLU    206      0.0129     89.4767     96.5500
  1660 CA   GLN    207      0.0085     88.3494     97.6400
  1669 CA   ARG    208      0.0080     88.2030     98.3400
  1680 CA   LEU    209      0.0079     88.1980     98.3400
  1688 CA   GLN    210      0.0082     88.2626     98.2500
  1697 CA   CYS    211      0.0061     87.7149     98.7500
  1703 CA   CYS    212      0.0058     87.6384     98.8000
  1709 CA   LEU    213      0.0070     87.9629     98.5300
  1717 CA   GLN    214      0.0066     87.8507     98.6200
  1726 CA   ALA    215      0.0060     87.6849     98.8400
  1731 CA   TYR    216      0.0050     87.4362     98.8100
  1743 CA   ASP    217      0.0069     87.9423     98.5300
  1751 CA   LEU    218      0.0063     87.7643     98.8100
  1759 CA   LEU    219      0.0056     87.6033     98.7400
  1767 CA   LEU    220      0.0063     87.7627     97.7100
  1775 CA   PRO    221      0.0081     88.2517     97.5800
  1782 CA   GLU    222      0.0061     87.7178     98.5800
  1791 CA   GLY    223      0.0043     87.2681     98.7200
  1795 CA   ILE    224      0.0044     87.2768     98.8900
  1803 CA   LEU    225      0.0040     87.1883     98.9100
  1811 CA   VAL    226      0.0045     87.2989     98.7800
  1818 CA   LEU    227      0.0051     87.4504     98.2500
  1826 CA   ILE    228      0.0059     87.6789     95.5500
  1834 CA   THR    229      0.0090     88.4810     93.5700
  1841 CA   PRO    230      0.0132     89.5512     90.0600
  1848 CA   ASP    231      0.0254     92.7235     83.2200
  1856 CA   SER    232      0.0430     97.2848     70.2500
  1862 CA   GLN    233      0.0570    100.9056     68.1300
  1871 CA   HIS    234      0.0812    107.1927     65.6700
  1881 CA   VAL    235      0.0870    108.6758     65.3100
  1888 CA   GLY    236      0.0846    108.0698     69.5800
  1892 CA   LYS    237      0.0507     99.2731     76.4000
  1901 CA   ASN    238      0.0288     93.5916     82.9400
  1909 CA   ALA    239      0.0314     94.2816     86.5700
  1914 CA   HIS    240      0.0277     93.3299     90.1000
  1924 CA   LEU    241      0.0127     89.4236     91.4900
  1932 CA   MET    242      0.0119     89.2175     92.3200
  1940 CA   LYS    243      0.0166     90.4374     93.7800
  1949 CA   ASN    244      0.0112     89.0342     95.4300
  1957 CA   TRP    245      0.0066     87.8427     97.0100
  1971 CA   ARG    246      0.0073     88.0231     97.3000
  1982 CA   TYR    247      0.0090     88.4850     97.9600
  1994 CA   SER    248      0.0088     88.4202     98.1800
  2000 CA   LEU    249      0.0058     87.6325     98.6500
  2008 CA   ALA    250      0.0064     87.8059     98.4700
  2013 CA   ARG    251      0.0082     88.2632     98.1200
  2024 CA   ILE    252      0.0084     88.3079     98.0400
  2032 CA   GLY    253      0.0057     87.6121     98.4900
  2036 CA   LEU    254      0.0048     87.3765     98.8000
  2044 CA   LEU    255      0.0049     87.4030     98.5900
  2052 CA   ARG    256      0.0053     87.5182     98.1500
  2063 CA   VAL    257      0.0069     87.9299     98.0800
  2070 CA   ARG    258      0.0077     88.1402     97.7800
  2081 CA   PHE    259      0.0117     89.1650     95.0200
  2092 CA   GLU    260      0.0124     89.3482     92.8400
  2101 CA   LYS    261      0.0179     90.7911     88.4000
  2110 CA   LEU    262      0.0171     90.5698     87.0500
  2118 CA   PRO    263      0.0339     94.9165     82.6600
  2125 CA   HIS    264      0.0359     95.4477     83.9100
  2135 CA   ILE    265      0.0133     89.5830     89.1400
  2143 CA   SER    266      0.0116     89.1509     92.7400
  2149 CA   CYS    267      0.0078     88.1748     94.8200
  2155 CA   MET    268      0.0069     87.9331     97.3000
  2163 CA   VAL    269      0.0051     87.4548     98.7700
  2170 CA   PHE    270      0.0045     87.3141     98.8500
  2181 CA   ARG    271      0.0049     87.4194     98.7300
  2192 CA   LYS    272      0.0047     87.3572     98.8100
  2201 CA   ALA    273      0.0060     87.6926     98.5200
  2206 CA   ILE    274      0.0079     88.1990     98.2300
  2214 CA   SER    275      0.0117     89.1707     97.6000
  2220 CA   ARG    276      0.0098     88.6707     97.4300
  2231 CA   GLU    277      0.0166     90.4445     97.7700
  2240 CA   LEU    278      0.0108     88.9505     97.9600
  2248 CA   SER    279      0.0080     88.2236     97.9500
  2254 CA   GLN    280      0.0110     89.0030     97.7400
  2263 CA   HIS    281      0.0164     90.4016     97.5100
  2273 CA   TRP    282      0.0133     89.5846     96.4400
  2287 CA   ALA    283      0.0130     89.5217     97.2800
  2292 CA   SER    284      0.0219     91.8171     96.0000
  2298 CA   ILE    285      0.0289     93.6297     95.2800
  2306 CA   HIS    286      0.0258     92.8239     94.2500
  2316 CA   ARG    287      0.0289     93.6363     94.9600
  2327 CA   GLU    288      0.0395     96.3705     93.8800
  2336 CA   GLU    289      0.1423    123.0145     90.8800
  2345 CA   GLY    290      0.1188    116.9190     88.2800
  2349 CA   MET    291      0.0241     92.3983     93.6200
  2357 CA   CYS    292      0.0232     92.1636     92.8900
  2363 CA   GLU    293      0.0128     89.4594     95.2000
  2372 CA   GLU    294      0.0120     89.2486     95.2300
  2381 CA   ILE    295      0.0091     88.4894     96.8900
  2389 CA   ARG    296      0.0115     89.1105     94.3600
  2400 CA   ILE    297      0.0128     89.4541     92.2100
  2408 CA   PRO    298      0.0216     91.7263     88.5300
  2415 CA   GLN    299      0.0221     91.8807     85.5400
  2424 CA   ASP    300      0.0229     92.0680     87.8800
  2432 CA   ASP    301      0.0671    103.5237     78.4600
  2440 CA   SER    302      0.1041    113.1034     65.6300

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.