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***  01-JUL-21  ***

B-factor analysis for ID 220201125949101310

Overall B-factor prediction

Correlation= -0.401 for 201 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    154.3524     94.9921     62.7800
    10 CA   ALA      2    142.8252     93.6334     72.6100
    15 CA   TRP      3    131.1832     92.2612     73.3700
    29 CA   MET      4    109.7116     89.7304     75.5600
    37 CA   LEU      5     97.0575     88.2389     74.2700
    45 CA   LEU      6     93.0885     87.7710     72.1200
    53 CA   LEU      7     81.2242     86.3726     71.7400
    61 CA   ILE      8     66.7000     84.6607     69.7100
    69 CA   LEU      9     60.2163     83.8965     65.4300
    77 CA   ILE     10     55.3047     83.3175     66.5100
    85 CA   MET     11     47.4517     82.3919     63.7900
    93 CA   VAL     12     38.7787     81.3697     60.6100
   100 CA   HIS     13     31.3911     80.4989     53.0600
   110 CA   PRO     14     23.7097     79.5935     54.5900
   117 CA   GLY     15     22.6044     79.4632     49.8100
   121 CA   SER     16     15.5740     78.6346     54.5600
   127 CA   CYS     17     13.7959     78.4250     64.9200
   133 CA   ALA     18     10.3110     78.0142     80.5400
   138 CA   LEU     19      7.2346     77.6516     92.6500
   146 CA   TRP     20      7.7453     77.7118     93.6800
   160 CA   VAL     21      5.3997     77.4353     97.1300
   167 CA   SER     22      6.7634     77.5961     97.4300
   173 CA   GLN     23      5.2599     77.4189     98.1800
   182 CA   PRO     24      7.1876     77.6461     98.1100
   189 CA   PRO     25      8.7201     77.8267     98.0700
   196 CA   GLU     26      7.3121     77.6608     98.5000
   205 CA   ILE     27      5.8998     77.4943     98.0300
   213 CA   ARG     28      7.0194     77.6263     97.7400
   224 CA   THR     29      8.2482     77.7711     96.6900
   231 CA   LEU     30     10.9879     78.0940     96.2600
   239 CA   GLU     31     14.1906     78.4715     96.2100
   248 CA   GLY     32     19.5685     79.1054     95.3200
   252 CA   SER     33     16.6104     78.7567     95.8300
   258 CA   SER     34     14.8596     78.5504     96.8300
   264 CA   ALA     35      9.3367     77.8994     97.5300
   269 CA   PHE     36      8.7284     77.8277     97.3800
   280 CA   LEU     37      5.4196     77.4377     98.2800
   288 CA   PRO     38      6.3203     77.5439     97.8800
   295 CA   CYS     39      5.1431     77.4051     98.1900
   301 CA   SER     40      7.5082     77.6839     96.8600
   307 CA   PHE     41      7.4661     77.6789     96.0600
   318 CA   ASN     42     11.1271     78.1104     92.9000
   326 CA   ALA     43     14.0994     78.4608     90.4600
   331 CA   SER     44     21.6340     79.3489     86.2400
   337 CA   GLN     45     28.0394     80.1038     81.7300
   346 CA   GLY     46     34.3584     80.8486     79.1200
   350 CA   ARG     47     27.4712     80.0369     88.1600
   361 CA   LEU     48     24.8829     79.7318     93.4400
   369 CA   ALA     49     16.4010     78.7320     94.0500
   374 CA   ILE     50     18.0651     78.9282     94.7700
   382 CA   GLY     51     13.7569     78.4204     95.4500
   386 CA   SER     52     12.9522     78.3255     95.7100
   392 CA   VAL     53      9.4113     77.9082     97.1900
   399 CA   THR     54     10.6065     78.0491     97.3800
   406 CA   TRP     55      8.8977     77.8476     98.1200
   420 CA   PHE     56     11.4046     78.1431     98.0200
   431 CA   ARG     57     13.4446     78.3836     96.9400
   442 CA   ASP     58     15.4570     78.6208     95.9900
   450 CA   GLU     59     17.8105     78.8982     94.5000
   459 CA   VAL     60     15.2790     78.5998     96.2500
   466 CA   VAL     61     23.5836     79.5786     95.5400
   473 CA   PRO     62     29.2746     80.2494     93.8500
   480 CA   GLY     63     33.0145     80.6902     93.0300
   484 CA   LYS     64     23.3240     79.5480     95.0700
   493 CA   GLU     65     19.2099     79.0631     96.3900
   502 CA   VAL     66     17.0731     78.8113     96.9700
   509 CA   ARG     67     24.6976     79.7100     94.5800
   520 CA   ASN     68     31.6343     80.5276     92.7900
   528 CA   GLY     69     42.0767     81.7584     88.9500
   532 CA   THR     70     38.2886     81.3119     90.8000
   539 CA   PRO     71     43.9784     81.9825     92.5200
   546 CA   GLU     72     31.7472     80.5409     92.9900
   555 CA   PHE     73     26.9460     79.9750     95.2300
   566 CA   ARG     74     38.1451     81.2950     94.5500
   577 CA   GLY     75     39.1458     81.4129     94.6800
   581 CA   ARG     76     27.3919     80.0275     96.7200
   592 CA   LEU     77     22.4039     79.4396     97.4200
   600 CA   ALA     78     24.4672     79.6828     95.7300
   605 CA   PRO     79     26.1737     79.8839     94.9700
   612 CA   LEU     80     20.3455     79.1970     95.5300
   620 CA   ALA     81     27.9896     80.0980     95.5800
   625 CA   SER     82     27.7383     80.0684     95.1600
   631 CA   SER     83     30.2745     80.3673     95.3500
   637 CA   ARG     84     21.3434     79.3146     96.0000
   648 CA   PHE     85     16.2159     78.7102     96.2900
   659 CA   LEU     86     21.7617     79.3639     95.5700
   667 CA   HIS     87     26.3092     79.8999     94.8600
   677 CA   ASP     88     21.5973     79.3445     95.3000
   685 CA   HIS     89     13.7236     78.4165     96.4400
   695 CA   GLN     90     11.3101     78.1320     96.8700
   704 CA   ALA     91      8.3426     77.7822     97.4300
   709 CA   GLU     92      8.2698     77.7736     97.7000
   718 CA   LEU     93      8.9304     77.8515     98.0200
   726 CA   HIS     94     12.7644     78.3034     97.5400
   736 CA   ILE     95     14.4052     78.4968     97.9000
   744 CA   ARG     96     20.3424     79.1966     97.1800
   755 CA   ASP     97     22.2282     79.4189     95.7000
   763 CA   VAL     98     15.3511     78.6083     97.1300
   770 CA   ARG     99     17.9242     78.9116     95.7200
   781 CA   GLY    100     16.7855     78.7774     95.2800
   785 CA   HIS    101     20.5575     79.2220     94.9300
   795 CA   ASP    102     14.5965     78.5193     97.0100
   803 CA   ALA    103     11.5697     78.1626     97.6000
   808 CA   SER    104     11.7703     78.1862     97.8800
   814 CA   ILE    105      9.2543     77.8897     98.1900
   822 CA   TYR    106      6.6544     77.5832     98.4700
   834 CA   VAL    107      6.0164     77.5080     98.4800
   841 CA   CYS    108      4.4971     77.3290     98.2800
   847 CA   ARG    109      5.7146     77.4725     97.8500
   858 CA   VAL    110      5.6857     77.4691     97.5400
   865 CA   GLU    111      7.7363     77.7108     96.4700
   874 CA   VAL    112      9.2271     77.8865     95.5400
   881 CA   LEU    113     12.3202     78.2510     93.0400
   889 CA   GLY    114     11.5447     78.1596     90.0100
   893 CA   LEU    115      8.7928     77.8353     91.1300
   901 CA   GLY    116      7.7193     77.7088     93.3500
   905 CA   VAL    117      6.7193     77.5909     95.2600
   912 CA   GLY    118      5.4919     77.4462     95.7700
   916 CA   THR    119      5.6890     77.4694     96.9900
   923 CA   GLY    120      5.1452     77.4053     96.3600
   927 CA   ASN    121      8.1273     77.7568     96.0100
   935 CA   GLY    122      6.3175     77.5435     97.6700
   939 CA   THR    123      5.1884     77.4104     98.5500
   946 CA   ARG    124      7.1561     77.6424     98.5800
   957 CA   LEU    125      6.3280     77.5448     98.6000
   965 CA   VAL    126      7.9421     77.7350     98.0900
   972 CA   VAL    127      9.4204     77.9093     97.5600
   979 CA   GLU    128     10.3936     78.0240     96.0900
   988 CA   LYS    129     13.4983     78.3899     91.7900
   997 CA   GLU    130     14.4731     78.5048     81.4500
  1006 CA   HIS    131     15.0939     78.5780     68.6100
  1016 CA   PRO    132     17.5016     78.8618     61.3300
  1023 CA   GLN    133     17.1990     78.8261     59.1200
  1032 CA   LEU    134     16.5517     78.7498     58.5400
  1040 CA   GLY    135     19.4633     79.0930     60.8900
  1044 CA   ALA    136     21.2957     79.3090     70.2600
  1049 CA   GLY    137     21.5221     79.3357     74.3600
  1053 CA   THR    138     17.0418     78.8076     79.4500
  1060 CA   VAL    139     15.9464     78.6785     81.1800
  1067 CA   LEU    140     18.3602     78.9630     83.8800
  1075 CA   LEU    141     16.5693     78.7519     87.2500
  1083 CA   LEU    142     13.1424     78.3480     91.3100
  1091 CA   ARG    143     14.3988     78.4960     92.0500
  1102 CA   ALA    144     15.4830     78.6238     93.0400
  1107 CA   GLY    145     12.4551     78.2670     93.6400
  1111 CA   PHE    146     11.0536     78.1018     93.6000
  1122 CA   TYR    147     12.7808     78.3053     94.5700
  1134 CA   ALA    148     12.2015     78.2371     94.5000
  1139 CA   VAL    149      9.4355     77.9110     94.6300
  1146 CA   SER    150      9.6368     77.9348     93.5700
  1152 CA   PHE    151     10.7517     78.0662     93.1600
  1163 CA   LEU    152      9.2381     77.8878     94.2900
  1171 CA   SER    153      7.6369     77.6990     93.2900
  1177 CA   VAL    154      8.4763     77.7980     92.3600
  1184 CA   ALA    155      8.7786     77.8336     91.3700
  1189 CA   VAL    156      7.5437     77.6881     91.2800
  1196 CA   GLY    157      6.9016     77.6124     88.9900
  1200 CA   SER    158      7.2083     77.6485     86.4400
  1206 CA   THR    159      7.3160     77.6612     86.6100
  1213 CA   VAL    160      6.8980     77.6120     83.0900
  1220 CA   TYR    161      6.7357     77.5928     84.2400
  1232 CA   TYR    162      6.9741     77.6209     78.3500
  1244 CA   GLN    163      7.6077     77.6956     77.2200
  1253 CA   GLY    164      7.8161     77.7202     71.7400
  1257 CA   LYS    165      7.7805     77.7160     60.5000
  1266 CA   CYS    166      8.5272     77.8040     59.0100
  1272 CA   LEU    167     10.0329     77.9815     56.6900
  1280 CA   THR    168     10.3255     78.0159     56.6300
  1287 CA   TRP    169     10.3252     78.0159     49.8400
  1301 CA   LYS    170     13.0260     78.3342     49.9100
  1310 CA   GLY    171     14.2031     78.4730     58.2600
  1314 CA   PRO    172     18.0069     78.9213     51.3400
  1321 CA   ARG    173     18.6397     78.9959     49.2000
  1332 CA   ARG    174     21.0462     79.2796     51.5800
  1343 CA   GLN    175     25.6600     79.8234     47.2900
  1352 CA   LEU    176     22.6820     79.4724     52.4400
  1360 CA   PRO    177     32.8859     80.6751     48.4900
  1367 CA   ALA    178     37.3896     81.2059     51.1800
  1372 CA   VAL    179     35.0653     80.9320     58.5300
  1379 CA   VAL    180     48.4198     82.5060     60.4600
  1386 CA   PRO    181     50.2765     82.7249     58.8500
  1393 CA   ALA    182     57.4196     83.5668     61.9300
  1398 CA   PRO    183     76.0823     85.7666     64.0600
  1405 CA   LEU    184     83.9362     86.6923     59.2600
  1413 CA   PRO    185     99.1649     88.4872     64.6700
  1420 CA   PRO    186    124.9232     91.5233     64.4400
  1427 CA   PRO    187    148.2378     94.2714     57.5400
  1434 CA   CYS    188    171.0573     96.9610     45.3700
  1440 CA   GLY    189    201.5797    100.5587     47.5700
  1444 CA   SER    190    240.4588    105.1412     42.9000
  1450 CA   SER    191    257.7761    107.1824     46.7100
  1456 CA   ALA    192    308.9303    113.2118     46.3700
  1461 CA   HIS    193    352.2070    118.3128     53.0300
  1471 CA   LEU    194    400.4589    124.0001     51.8800
  1479 CA   LEU    195    464.3485    131.5306     56.1700
  1487 CA   PRO    196    543.6232    140.8746     69.8400
  1494 CA   PRO    197    624.2619    150.3793     71.9800
  1501 CA   VAL    198    710.7259    160.5706     70.2300
  1508 CA   PRO    199    828.4615    174.4478     65.9700
  1515 CA   GLY    200    910.0274    184.0618     59.3700
  1519 CA   GLY    201   1060.6394    201.8141     51.5800

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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: October 18th, 2018.