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***  01-JUL-21  ***

B-factor analysis for ID 22031814571370746

Overall B-factor prediction

Correlation= -0.597 for 289 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   GLY     58      0.0395     87.7664     94.7300
     6 CA   LEU     59      0.0420     88.3560     95.1000
    14 CA   PHE     60      0.0617     93.0248     96.7300
    25 CA   LEU     61      0.0354     86.8071     96.7600
    33 CA   SER     62      0.0228     83.8193     96.6600
    39 CA   CYS     63      0.0355     86.8225     97.0500
    45 CA   LEU     64      0.0377     87.3453     97.1600
    53 CA   TYR     65      0.0210     83.4029     97.7200
    65 CA   THR     66      0.0228     83.8200     96.8400
    72 CA   ILE     67      0.0386     87.5660     97.0700
    80 CA   PHE     68      0.0358     86.8996     96.3000
    91 CA   LEU     69      0.0185     82.8093     96.6000
    99 CA   PHE     70      0.0153     82.0563     97.0000
   110 CA   PRO     71      0.0198     83.1166     96.7000
   117 CA   ILE     72      0.0158     82.1661     96.1200
   125 CA   GLY     73      0.0113     81.1114     96.4800
   129 CA   PHE     74      0.0142     81.7938     96.7200
   140 CA   VAL     75      0.0193     83.0005     96.2300
   147 CA   GLY     76      0.0117     81.2057     95.3100
   151 CA   ASN     77      0.0095     80.6887     96.7400
   159 CA   ILE     78      0.0148     81.9270     96.4600
   167 CA   LEU     79      0.0136     81.6491     94.7000
   175 CA   ILE     80      0.0094     80.6654     94.0500
   183 CA   LEU     81      0.0116     81.1812     94.9500
   191 CA   VAL     82      0.0200     83.1693     94.4800
   198 CA   VAL     83      0.0156     82.1155     92.4000
   205 CA   ASN     84      0.0136     81.6598     92.4600
   213 CA   ILE     85      0.0250     84.3470     92.8900
   221 CA   SER     86      0.0301     85.5414     92.2400
   227 CA   PHE     87      0.0282     85.0951     90.8800
   238 CA   ARG     88      0.0425     88.4778     88.7600
   249 CA   GLU     89      0.0704     95.0724     86.8000
   258 CA   LYS     90      0.0362     86.9899     85.7600
   267 CA   MET     91      0.0237     84.0455     86.3600
   275 CA   THR     92      0.0157     82.1598     86.5100
   282 CA   ILE     93      0.0108     80.9996     88.0200
   290 CA   PRO     94      0.0089     80.5302     87.2900
   297 CA   ASP     95      0.0087     80.5024     89.6500
   305 CA   LEU     96      0.0096     80.7016     93.1700
   313 CA   TYR     97      0.0083     80.4080     93.7100
   325 CA   PHE     98      0.0072     80.1397     92.5700
   336 CA   ILE     99      0.0081     80.3438     94.7700
   344 CA   ASN    100      0.0089     80.5500     96.8600
   352 CA   LEU    101      0.0082     80.3708     96.2500
   360 CA   ALA    102      0.0090     80.5609     96.7900
   365 CA   VAL    103      0.0103     80.8633     97.2100
   372 CA   ALA    104      0.0087     80.4987     96.8900
   377 CA   ASP    105      0.0081     80.3407     97.4100
   385 CA   LEU    106      0.0095     80.6742     96.9500
   393 CA   ILE    107      0.0098     80.7538     94.8800
   401 CA   LEU    108      0.0083     80.4105     96.2200
   409 CA   VAL    109      0.0088     80.5231     96.7800
   416 CA   ALA    110      0.0123     81.3530     95.0800
   421 CA   ASP    111      0.0108     80.9904     92.4300
   429 CA   SER    112      0.0109     81.0058     93.8200
   435 CA   LEU    113      0.0142     81.7835     92.1800
   443 CA   ILE    114      0.0162     82.2578     89.5300
   451 CA   GLU    115      0.0117     81.2113     89.4100
   460 CA   VAL    116      0.0139     81.7242     92.4900
   467 CA   PHE    117      0.0203     83.2275     91.5700
   478 CA   ASN    118      0.0191     82.9556     86.5900
   486 CA   LEU    119      0.0237     84.0431     82.3500
   494 CA   HIS    120      0.0463     89.3804     74.6400
   504 CA   GLU    121      0.0232     83.9150     71.2100
   513 CA   ARG    122      0.0390     87.6550     63.1000
   524 CA   TYR    123      0.0248     84.2976     69.3600
   536 CA   TYR    124      0.0200     83.1748     70.6600
   548 CA   ASP    125      0.0341     86.5088     67.4900
   556 CA   ILE    126      0.0347     86.6347     80.5200
   564 CA   ALA    127      0.0283     85.1359     77.9600
   569 CA   VAL    128      0.0379     87.3976     82.6800
   576 CA   LEU    129      0.0257     84.5103     83.8900
   584 CA   CYS    130      0.0152     82.0418     82.2500
   590 CA   THR    131      0.0161     82.2407     83.3200
   597 CA   PHE    132      0.0171     82.4883     85.0200
   608 CA   MET    133      0.0113     81.1073     87.3100
   616 CA   SER    134      0.0093     80.6258     87.2600
   622 CA   LEU    135      0.0113     81.1101     90.0800
   630 CA   PHE    136      0.0095     80.6732     92.1000
   641 CA   LEU    137      0.0074     80.1932     92.3100
   649 CA   GLN    138      0.0081     80.3417     92.6800
   658 CA   VAL    139      0.0090     80.5744     94.5700
   665 CA   ASN    140      0.0072     80.1418     96.1800
   673 CA   MET    141      0.0070     80.0894     95.6500
   681 CA   TYR    142      0.0083     80.3997     96.7300
   693 CA   SER    143      0.0084     80.4315     97.2300
   699 CA   SER    144      0.0075     80.2144     97.2000
   705 CA   VAL    145      0.0080     80.3191     97.3500
   712 CA   PHE    146      0.0086     80.4729     97.7600
   723 CA   PHE    147      0.0082     80.3713     97.1900
   734 CA   LEU    148      0.0082     80.3669     96.2800
   742 CA   THR    149      0.0093     80.6410     96.9800
   749 CA   TRP    150      0.0092     80.6090     95.8100
   763 CA   MET    151      0.0074     80.1839     93.5100
   771 CA   SER    152      0.0091     80.5803     93.9800
   777 CA   PHE    153      0.0116     81.1892     93.0300
   788 CA   ASP    154      0.0101     80.8270     90.6900
   796 CA   ARG    155      0.0095     80.6733     89.4600
   807 CA   TYR    156      0.0145     81.8708     89.2700
   819 CA   ILE    157      0.0186     82.8326     87.3600
   827 CA   ALA    158      0.0190     82.9286     84.3100
   832 CA   LEU    159      0.0176     82.5923     82.8800
   840 CA   ALA    160      0.0339     86.4514     79.8600
   845 CA   ARG    161      0.0369     87.1551     70.5900
   856 CA   ALA    162      0.0566     91.8095     66.6900
   861 CA   MET    163      0.0785     97.0068     58.6900
   869 CA   ARG    164      0.1040    103.0232     60.0600
   880 CA   CYS    165      0.1371    110.8517     52.7700
   886 CA   SER    166      0.0659     94.0206     58.8800
   892 CA   LEU    167      0.0963    101.2002     62.4100
   900 CA   PHE    168      0.0536     91.1125     65.8800
   911 CA   ARG    169      0.0296     85.4237     78.3000
   922 CA   THR    170      0.0294     85.3843     85.0500
   929 CA   LYS    171      0.0255     84.4545     86.1900
   938 CA   HIS    172      0.0420     88.3688     89.5700
   948 CA   HIS    173      0.0292     85.3484     90.3200
   958 CA   ALA    174      0.0171     82.4764     92.3700
   963 CA   ARG    175      0.0261     84.6156     94.2900
   974 CA   LEU    176      0.0357     86.8808     95.1900
   982 CA   SER    177      0.0207     83.3323     95.3000
   988 CA   CYS    178      0.0152     82.0413     97.0200
   994 CA   GLY    179      0.0242     84.1543     97.2700
   998 CA   LEU    180      0.0279     85.0251     97.3600
  1006 CA   ILE    181      0.0161     82.2389     97.7600
  1014 CA   TRP    182      0.0161     82.2370     97.7400
  1028 CA   MET    183      0.0273     84.8894     96.9500
  1036 CA   ALA    184      0.0223     83.6998     96.9100
  1041 CA   SER    185      0.0138     81.6929     96.5700
  1047 CA   VAL    186      0.0218     83.5798     94.2200
  1054 CA   SER    187      0.0305     85.6586     93.9500
  1060 CA   ALA    188      0.0164     82.3152     93.6800
  1065 CA   THR    189      0.0134     81.6159     92.0500
  1072 CA   LEU    190      0.0225     83.7456     89.4800
  1080 CA   VAL    191      0.0203     83.2341     87.3000
  1087 CA   PRO    192      0.0129     81.4813     84.1600
  1094 CA   PHE    193      0.0148     81.9309     85.0200
  1105 CA   THR    194      0.0247     84.2861     84.3100
  1112 CA   ALA    195      0.0199     83.1510     80.6800
  1117 CA   VAL    196      0.0149     81.9495     76.3700
  1124 CA   HIS    197      0.0260     84.5889     76.8900
  1134 CA   LEU    198      0.0396     87.7911     76.8000
  1142 CA   GLN    199      0.0269     84.8058     72.1500
  1151 CA   HIS    200      0.0297     85.4642     72.7900
  1161 CA   THR    201      0.0631     93.3639     68.6900
  1168 CA   ASP    202      0.1041    103.0470     63.1800
  1176 CA   GLU    203      0.0604     92.7122     61.9700
  1185 CA   ALA    204      0.0256     84.4821     60.7000
  1190 CA   CYS    205      0.0207     83.3369     63.8400
  1196 CA   PHE    206      0.0110     81.0286     68.6100
  1207 CA   CYS    207      0.0106     80.9480     71.2900
  1213 CA   PHE    208      0.0093     80.6287     73.7800
  1224 CA   ALA    209      0.0107     80.9588     67.9600
  1229 CA   ASP    210      0.0135     81.6268     74.4500
  1237 CA   VAL    211      0.0166     82.3646     80.7700
  1244 CA   ARG    212      0.0237     84.0398     83.9900
  1255 CA   GLU    213      0.0302     85.5693     86.9600
  1264 CA   VAL    214      0.0160     82.2112     87.4400
  1271 CA   GLN    215      0.0125     81.3848     88.3600
  1280 CA   TRP    216      0.0169     82.4355     90.0900
  1294 CA   LEU    217      0.0170     82.4523     92.0300
  1302 CA   GLU    218      0.0113     81.1135     92.1500
  1311 CA   VAL    219      0.0125     81.4033     94.0000
  1318 CA   THR    220      0.0162     82.2592     95.0300
  1325 CA   LEU    221      0.0144     81.8498     95.3100
  1333 CA   GLY    222      0.0110     81.0291     94.1800
  1337 CA   PHE    223      0.0116     81.1689     95.4400
  1348 CA   ILE    224      0.0214     83.4852     96.3700
  1356 CA   VAL    225      0.0246     84.2471     96.9000
  1363 CA   PRO    226      0.0146     81.8938     97.0500
  1370 CA   PHE    227      0.0177     82.6324     97.1300
  1381 CA   ALA    228      0.0268     84.7712     97.6000
  1386 CA   ILE    229      0.0226     83.7854     97.3200
  1394 CA   ILE    230      0.0147     81.9119     96.8600
  1402 CA   GLY    231      0.0252     84.3884     96.5000
  1406 CA   LEU    232      0.0344     86.5719     96.6800
  1414 CA   CYS    233      0.0184     82.7906     95.1700
  1420 CA   TYR    234      0.0176     82.5876     93.3100
  1432 CA   SER    235      0.0323     86.0660     94.0100
  1438 CA   LEU    236      0.0271     84.8428     92.9800
  1446 CA   ILE    237      0.0191     82.9561     90.7100
  1454 CA   VAL    238      0.0415     88.2545     89.3900
  1461 CA   ARG    239      0.0498     90.2082     89.6100
  1472 CA   VAL    240      0.0320     86.0093     85.8700
  1479 CA   LEU    241      0.0367     87.1169     84.3700
  1487 CA   VAL    242      0.0782     96.9283     84.2400
  1494 CA   ARG    243      0.0822     97.8663     83.1800
  1505 CA   ALA    244      0.0725     95.5752     78.3400
  1510 CA   HIS    245      0.1029    102.7562     70.6100
  1520 CA   ARG    246      0.1997    125.6503     60.2900
  1531 CA   HIS    247      0.2366    134.3680     54.0400
  1541 CA   ARG    248      0.2030    126.4365     58.8900
  1552 CA   GLY    249      0.1897    123.2848     59.2300
  1556 CA   LEU    250      0.0637     93.4917     61.6500
  1564 CA   ARG    251      0.0676     94.4220     66.4800
  1575 CA   PRO    252      0.0643     93.6290     68.2200
  1582 CA   ARG    253      0.0541     91.2229     67.5600
  1593 CA   ARG    254      0.0280     85.0647     72.9900
  1604 CA   GLN    255      0.0294     85.3930     77.8200
  1613 CA   LYS    256      0.0219     83.6037     78.9400
  1622 CA   ALA    257      0.0163     82.2823     81.5300
  1627 CA   LEU    258      0.0121     81.3051     86.2200
  1635 CA   ARG    259      0.0144     81.8304     87.0400
  1646 CA   MET    260      0.0091     80.5786     88.9800
  1654 CA   ILE    261      0.0086     80.4795     89.6000
  1662 CA   LEU    262      0.0121     81.2898     92.5200
  1670 CA   ALA    263      0.0118     81.2232     94.0900
  1675 CA   VAL    264      0.0088     80.5188     93.9300
  1682 CA   VAL    265      0.0098     80.7437     95.4600
  1689 CA   LEU    266      0.0122     81.3315     96.4700
  1697 CA   VAL    267      0.0106     80.9450     96.7400
  1704 CA   PHE    268      0.0099     80.7666     96.9600
  1715 CA   PHE    269      0.0109     81.0159     97.1800
  1726 CA   VAL    270      0.0129     81.4878     97.5700
  1733 CA   CYS    271      0.0102     80.8403     97.4800
  1739 CA   TRP    272      0.0088     80.5209     97.0100
  1753 CA   LEU    273      0.0123     81.3487     96.9000
  1761 CA   PRO    274      0.0134     81.6009     96.4200
  1768 CA   GLU    275      0.0107     80.9557     93.3700
  1777 CA   ASN    276      0.0119     81.2434     94.7700
  1785 CA   VAL    277      0.0171     82.4766     94.9800
  1792 CA   PHE    278      0.0143     81.8208     92.7600
  1803 CA   ILE    279      0.0123     81.3403     90.1900
  1811 CA   SER    280      0.0204     83.2685     91.6400
  1817 CA   VAL    281      0.0247     84.2707     91.1100
  1824 CA   HIS    282      0.0181     82.7098     86.2900
  1834 CA   LEU    283      0.0198     83.1287     85.2000
  1842 CA   LEU    284      0.0428     88.5565     86.8500
  1850 CA   GLN    285      0.0474     89.6436     83.1700
  1859 CA   ARG    286      0.0441     88.8530     71.4200
  1870 CA   THR    287      0.0974    101.4659     58.5200
  1877 CA   GLN    288      0.1632    117.0285     56.5100
  1886 CA   PRO    289      0.2610    140.1407     57.0400
  1893 CA   GLY    290      0.3527    161.8241     58.6900
  1897 CA   ALA    291      0.1556    115.2295     56.4700
  1902 CA   ALA    292      0.0972    101.4195     58.2000
  1907 CA   PRO    293      0.0560     91.6787     58.2300
  1914 CA   CYS    294      0.0467     89.4863     57.5500
  1920 CA   LYS    295      0.0574     92.0191     53.2100
  1929 CA   GLN    296      0.0277     84.9912     56.1100
  1938 CA   SER    297      0.0170     82.4582     66.2200
  1944 CA   PHE    298      0.0161     82.2376     75.6200
  1955 CA   ARG    299      0.0135     81.6332     77.8100
  1966 CA   HIS    300      0.0212     83.4464     75.2600
  1976 CA   ALA    301      0.0293     85.3744     79.8900
  1981 CA   HIS    302      0.0267     84.7534     87.0200
  1991 CA   PRO    303      0.0248     84.3029     86.9700
  1998 CA   LEU    304      0.0343     86.5398     90.8000
  2006 CA   THR    305      0.0245     84.2375     92.2500
  2013 CA   GLY    306      0.0163     82.2946     90.9700
  2017 CA   HIS    307      0.0138     81.7052     92.3900
  2027 CA   ILE    308      0.0171     82.4847     95.0000
  2035 CA   VAL    309      0.0135     81.6217     94.9100
  2042 CA   ASN    310      0.0096     80.7091     93.4700
  2050 CA   LEU    311      0.0110     81.0439     96.5000
  2058 CA   ALA    312      0.0105     80.9106     97.2400
  2063 CA   ALA    313      0.0085     80.4522     96.7100
  2068 CA   PHE    314      0.0078     80.2808     96.8100
  2079 CA   SER    315      0.0092     80.6233     97.2300
  2085 CA   ASN    316      0.0079     80.2968     96.9700
  2093 CA   SER    317      0.0077     80.2610     97.0900
  2099 CA   CYS    318      0.0098     80.7540     96.5900
  2105 CA   LEU    319      0.0101     80.8190     95.9800
  2113 CA   ASN    320      0.0084     80.4278     91.7900
  2121 CA   PRO    321      0.0094     80.6621     92.2500
  2128 CA   LEU    322      0.0121     81.2896     91.6000
  2136 CA   ILE    323      0.0100     80.8019     90.8100
  2144 CA   TYR    324      0.0092     80.6120     84.9000
  2156 CA   SER    325      0.0119     81.2583     85.0300
  2162 CA   PHE    326      0.0167     82.3938     84.3000
  2173 CA   LEU    327      0.0133     81.5779     82.8500
  2181 CA   GLY    328      0.0142     81.8044     80.0300
  2185 CA   GLU    329      0.0203     83.2371     79.5700
  2194 CA   THR    330      0.0173     82.5160     80.7500
  2201 CA   PHE    331      0.0124     81.3632     83.1900
  2212 CA   ARG    332      0.0190     82.9294     86.7900
  2223 CA   ASP    333      0.0263     84.6654     86.3000
  2231 CA   LYS    334      0.0197     83.0909     85.9300
  2240 CA   LEU    335      0.0205     83.2848     88.8400
  2248 CA   ARG    336      0.0468     89.4941     89.6100
  2259 CA   LEU    337      0.0438     88.7803     90.0500
  2267 CA   TYR    338      0.0347     86.6420     89.2000
  2279 CA   ILE    339      0.0523     90.8094     89.2800
  2287 CA   GLU    340      0.0836     98.2077     87.9800
  2296 CA   GLN    341      0.0829     98.0246     85.3900
  2305 CA   LYS    342      0.1053    103.3299     82.5400
  2314 CA   THR    343      0.1530    114.6036     79.7300
  2321 CA   ASN    344      0.2111    128.3404     68.2100
  2329 CA   LEU    345      0.2484    137.1694     66.1400
  2337 CA   PRO    346      0.4527    185.4652     61.5800

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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.