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***  01-JUL-21  ***

B-factor analysis for ID 22031815292778224

Overall B-factor prediction

Correlation= -0.598 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      0.0394     87.7668     94.7300
     6 CA   LEU     59      0.0419     88.3553     95.1000
    14 CA   PHE     60      0.0616     93.0196     96.7300
    25 CA   LEU     61      0.0353     86.7969     96.7600
    33 CA   SER     62      0.0227     83.8118     96.6600
    39 CA   CYS     63      0.0354     86.8091     97.0500
    45 CA   LEU     64      0.0376     87.3291     97.1600
    53 CA   TYR     65      0.0210     83.3887     97.7200
    65 CA   THR     66      0.0227     83.8039     96.8400
    72 CA   ILE     67      0.0385     87.5429     97.0700
    80 CA   PHE     68      0.0357     86.8733     96.3000
    91 CA   LEU     69      0.0184     82.7855     96.6000
    99 CA   PHE     70      0.0153     82.0489     97.0000
   110 CA   PRO     71      0.0198     83.1041     96.7000
   117 CA   ILE     72      0.0157     82.1335     96.1200
   125 CA   GLY     73      0.0113     81.1005     96.4800
   129 CA   PHE     74      0.0142     81.7847     96.7200
   140 CA   VAL     75      0.0193     82.9900     96.2300
   147 CA   GLY     76      0.0117     81.1890     95.3100
   151 CA   ASN     77      0.0095     80.6749     96.7400
   159 CA   ILE     78      0.0148     81.9198     96.4600
   167 CA   LEU     79      0.0136     81.6411     94.7000
   175 CA   ILE     80      0.0094     80.6526     94.0500
   183 CA   LEU     81      0.0116     81.1708     94.9500
   191 CA   VAL     82      0.0200     83.1694     94.4800
   198 CA   VAL     83      0.0156     82.1122     92.4000
   205 CA   ASN     84      0.0136     81.6497     92.4600
   213 CA   ILE     85      0.0250     84.3411     92.8900
   221 CA   SER     86      0.0301     85.5465     92.2400
   227 CA   PHE     87      0.0281     85.0929     90.8800
   238 CA   ARG     88      0.0425     88.4833     88.7600
   249 CA   GLU     89      0.0703     95.0813     86.8000
   258 CA   LYS     90      0.0361     86.9844     85.7600
   267 CA   MET     91      0.0237     84.0361     86.3600
   275 CA   THR     92      0.0157     82.1504     86.5100
   282 CA   ILE     93      0.0108     80.9919     88.0200
   290 CA   PRO     94      0.0089     80.5244     87.2900
   297 CA   ASP     95      0.0087     80.4899     89.6500
   305 CA   LEU     96      0.0096     80.6936     93.1700
   313 CA   TYR     97      0.0083     80.4016     93.7100
   325 CA   PHE     98      0.0072     80.1316     92.5700
   336 CA   ILE     99      0.0081     80.3365     94.7700
   344 CA   ASN    100      0.0089     80.5427     96.8600
   352 CA   LEU    101      0.0082     80.3625     96.2500
   360 CA   ALA    102      0.0090     80.5501     96.7900
   365 CA   VAL    103      0.0102     80.8511     97.2100
   372 CA   ALA    104      0.0087     80.4845     96.8900
   377 CA   ASP    105      0.0080     80.3281     97.4100
   385 CA   LEU    106      0.0094     80.6624     96.9500
   393 CA   ILE    107      0.0098     80.7423     94.8800
   401 CA   LEU    108      0.0083     80.4017     96.2200
   409 CA   VAL    109      0.0088     80.5159     96.7800
   416 CA   ALA    110      0.0123     81.3460     95.0800
   421 CA   ASP    111      0.0108     80.9828     92.4300
   429 CA   SER    112      0.0109     80.9995     93.8200
   435 CA   LEU    113      0.0141     81.7763     92.1800
   443 CA   ILE    114      0.0162     82.2536     89.5300
   451 CA   GLU    115      0.0117     81.2054     89.4100
   460 CA   VAL    116      0.0139     81.7184     92.4900
   467 CA   PHE    117      0.0202     83.2212     91.5700
   478 CA   ASN    118      0.0191     82.9470     86.5900
   486 CA   LEU    119      0.0237     84.0358     82.3500
   494 CA   HIS    120      0.0463     89.3874     74.6400
   504 CA   GLU    121      0.0232     83.9133     71.2100
   513 CA   ARG    122      0.0390     87.6614     63.1000
   524 CA   TYR    123      0.0248     84.2968     69.3600
   536 CA   TYR    124      0.0200     83.1732     70.6600
   548 CA   ASP    125      0.0341     86.5145     67.4900
   556 CA   ILE    126      0.0347     86.6412     80.5200
   564 CA   ALA    127      0.0283     85.1403     77.9600
   569 CA   VAL    128      0.0379     87.4103     82.6800
   576 CA   LEU    129      0.0257     84.5132     83.8900
   584 CA   CYS    130      0.0153     82.0394     82.2500
   590 CA   THR    131      0.0161     82.2395     83.3200
   597 CA   PHE    132      0.0171     82.4861     85.0200
   608 CA   MET    133      0.0113     81.1014     87.3100
   616 CA   SER    134      0.0093     80.6195     87.2600
   622 CA   LEU    135      0.0113     81.1042     90.0800
   630 CA   PHE    136      0.0095     80.6654     92.1000
   641 CA   LEU    137      0.0074     80.1854     92.3100
   649 CA   GLN    138      0.0081     80.3342     92.6800
   658 CA   VAL    139      0.0090     80.5662     94.5700
   665 CA   ASN    140      0.0072     80.1326     96.1800
   673 CA   MET    141      0.0070     80.0814     95.6500
   681 CA   TYR    142      0.0083     80.3932     96.7300
   693 CA   SER    143      0.0084     80.4240     97.2300
   699 CA   SER    144      0.0075     80.2069     97.2000
   705 CA   VAL    145      0.0080     80.3143     97.3500
   712 CA   PHE    146      0.0086     80.4684     97.7600
   723 CA   PHE    147      0.0082     80.3660     97.1900
   734 CA   LEU    148      0.0082     80.3656     96.2800
   742 CA   THR    149      0.0094     80.6416     96.9800
   749 CA   TRP    150      0.0092     80.6063     95.8100
   763 CA   MET    151      0.0074     80.1801     93.5100
   771 CA   SER    152      0.0091     80.5802     93.9800
   777 CA   PHE    153      0.0117     81.1889     93.0300
   788 CA   ASP    154      0.0101     80.8246     90.6900
   796 CA   ARG    155      0.0095     80.6699     89.4600
   807 CA   TYR    156      0.0145     81.8662     89.2700
   819 CA   ILE    157      0.0186     82.8305     87.3600
   827 CA   ALA    158      0.0190     82.9250     84.3100
   832 CA   LEU    159      0.0176     82.5906     82.8800
   840 CA   ALA    160      0.0339     86.4544     79.8600
   845 CA   ARG    161      0.0369     87.1611     70.5900
   856 CA   ALA    162      0.0566     91.8310     66.6900
   861 CA   MET    163      0.0786     97.0322     58.6900
   869 CA   ARG    164      0.1040    103.0644     60.0600
   880 CA   CYS    165      0.1371    110.9087     52.7700
   886 CA   SER    166      0.0659     94.0461     58.8800
   892 CA   LEU    167      0.0963    101.2407     62.4100
   900 CA   PHE    168      0.0536     91.1280     65.8800
   911 CA   ARG    169      0.0296     85.4260     78.3000
   922 CA   THR    170      0.0294     85.3880     85.0500
   929 CA   LYS    171      0.0254     84.4530     86.1900
   938 CA   HIS    172      0.0420     88.3753     89.5700
   948 CA   HIS    173      0.0292     85.3518     90.3200
   958 CA   ALA    174      0.0171     82.4726     92.3700
   963 CA   ARG    175      0.0261     84.6148     94.2900
   974 CA   LEU    176      0.0357     86.8817     95.1900
   982 CA   SER    177      0.0207     83.3298     95.3000
   988 CA   CYS    178      0.0152     82.0369     97.0200
   994 CA   GLY    179      0.0242     84.1496     97.2700
   998 CA   LEU    180      0.0279     85.0251     97.3600
  1006 CA   ILE    181      0.0161     82.2325     97.7600
  1014 CA   TRP    182      0.0161     82.2280     97.7400
  1028 CA   MET    183      0.0273     84.8817     96.9500
  1036 CA   ALA    184      0.0222     83.6932     96.9100
  1041 CA   SER    185      0.0138     81.6861     96.5700
  1047 CA   VAL    186      0.0217     83.5728     94.2200
  1054 CA   SER    187      0.0305     85.6550     93.9500
  1060 CA   ALA    188      0.0164     82.3122     93.6800
  1065 CA   THR    189      0.0134     81.6108     92.0500
  1072 CA   LEU    190      0.0225     83.7457     89.4800
  1080 CA   VAL    191      0.0203     83.2342     87.3000
  1087 CA   PRO    192      0.0129     81.4769     84.1600
  1094 CA   PHE    193      0.0148     81.9271     85.0200
  1105 CA   THR    194      0.0247     84.2852     84.3100
  1112 CA   ALA    195      0.0199     83.1490     80.6800
  1117 CA   VAL    196      0.0149     81.9458     76.3700
  1124 CA   HIS    197      0.0260     84.5906     76.8900
  1134 CA   LEU    198      0.0396     87.7982     76.8000
  1142 CA   GLN    199      0.0269     84.8079     72.1500
  1151 CA   HIS    200      0.0297     85.4699     72.7900
  1161 CA   THR    201      0.0631     93.3826     68.6900
  1168 CA   ASP    202      0.1041    103.0809     63.1800
  1176 CA   GLU    203      0.0603     92.7194     61.9700
  1185 CA   ALA    204      0.0256     84.4820     60.7000
  1190 CA   CYS    205      0.0207     83.3349     63.8400
  1196 CA   PHE    206      0.0110     81.0239     68.6100
  1207 CA   CYS    207      0.0106     80.9426     71.2900
  1213 CA   PHE    208      0.0093     80.6222     73.7800
  1224 CA   ALA    209      0.0107     80.9526     67.9600
  1229 CA   ASP    210      0.0135     81.6217     74.4500
  1237 CA   VAL    211      0.0166     82.3619     80.7700
  1244 CA   ARG    212      0.0236     84.0223     83.9900
  1255 CA   GLU    213      0.0302     85.5735     86.9600
  1264 CA   VAL    214      0.0160     82.2081     87.4400
  1271 CA   GLN    215      0.0125     81.3769     88.3600
  1280 CA   TRP    216      0.0169     82.4309     90.0900
  1294 CA   LEU    217      0.0170     82.4487     92.0300
  1302 CA   GLU    218      0.0113     81.1065     92.1500
  1311 CA   VAL    219      0.0125     81.3966     94.0000
  1318 CA   THR    220      0.0162     82.2543     95.0300
  1325 CA   LEU    221      0.0144     81.8457     95.3100
  1333 CA   GLY    222      0.0110     81.0239     94.1800
  1337 CA   PHE    223      0.0116     81.1646     95.4400
  1348 CA   ILE    224      0.0214     83.4851     96.3700
  1356 CA   VAL    225      0.0246     84.2495     96.9000
  1363 CA   PRO    226      0.0147     81.8964     97.0500
  1370 CA   PHE    227      0.0178     82.6368     97.1300
  1381 CA   ALA    228      0.0268     84.7816     97.6000
  1386 CA   ILE    229      0.0227     83.7986     97.3200
  1394 CA   ILE    230      0.0148     81.9238     96.8600
  1402 CA   GLY    231      0.0253     84.4089     96.5000
  1406 CA   LEU    232      0.0345     86.5988     96.6800
  1414 CA   CYS    233      0.0185     82.8030     95.1700
  1420 CA   TYR    234      0.0177     82.6067     93.3100
  1432 CA   SER    235      0.0324     86.0907     94.0100
  1438 CA   LEU    236      0.0271     84.8500     92.9800
  1446 CA   ILE    237      0.0191     82.9601     90.7100
  1454 CA   VAL    238      0.0416     88.2748     89.3900
  1461 CA   ARG    239      0.0498     90.2284     89.6100
  1472 CA   VAL    240      0.0320     86.0140     85.8700
  1479 CA   LEU    241      0.0368     87.1351     84.3700
  1487 CA   VAL    242      0.0783     96.9706     84.2400
  1494 CA   ARG    243      0.0822     97.8943     83.1800
  1505 CA   ALA    244      0.0725     95.5987     78.3400
  1510 CA   HIS    245      0.1029    102.8081     70.6100
  1520 CA   ARG    246      0.1997    125.7372     60.2900
  1531 CA   HIS    247      0.2366    134.4712     54.0400
  1541 CA   ARG    248      0.2032    126.5594     58.8900
  1552 CA   GLY    249      0.1898    123.3865     59.2300
  1556 CA   LEU    250      0.0638     93.5378     61.6500
  1564 CA   ARG    251      0.0677     94.4638     66.4800
  1575 CA   PRO    252      0.0644     93.6760     68.2200
  1582 CA   ARG    253      0.0541     91.2489     67.5600
  1593 CA   ARG    254      0.0282     85.1001     72.9900
  1604 CA   GLN    255      0.0296     85.4302     77.8200
  1613 CA   LYS    256      0.0220     83.6451     78.9400
  1622 CA   ALA    257      0.0164     82.3088     81.5300
  1627 CA   LEU    258      0.0123     81.3312     86.2200
  1635 CA   ARG    259      0.0145     81.8713     87.0400
  1646 CA   MET    260      0.0091     80.5801     88.9800
  1654 CA   ILE    261      0.0086     80.4726     89.6000
  1662 CA   LEU    262      0.0119     81.2479     92.5200
  1670 CA   ALA    263      0.0119     81.2350     94.0900
  1675 CA   VAL    264      0.0088     80.5091     93.9300
  1682 CA   VAL    265      0.0097     80.7316     95.4600
  1689 CA   LEU    266      0.0123     81.3331     96.4700
  1697 CA   VAL    267      0.0106     80.9389     96.7400
  1704 CA   PHE    268      0.0099     80.7617     96.9600
  1715 CA   PHE    269      0.0109     81.0173     97.1800
  1726 CA   VAL    270      0.0129     81.4821     97.5700
  1733 CA   CYS    271      0.0101     80.8284     97.4800
  1739 CA   TRP    272      0.0088     80.5117     97.0100
  1753 CA   LEU    273      0.0123     81.3352     96.9000
  1761 CA   PRO    274      0.0133     81.5871     96.4200
  1768 CA   GLU    275      0.0106     80.9457     93.3700
  1777 CA   ASN    276      0.0119     81.2361     94.7700
  1785 CA   VAL    277      0.0171     82.4682     94.9800
  1792 CA   PHE    278      0.0143     81.8142     92.7600
  1803 CA   ILE    279      0.0123     81.3344     90.1900
  1811 CA   SER    280      0.0204     83.2687     91.6400
  1817 CA   VAL    281      0.0247     84.2737     91.1100
  1824 CA   HIS    282      0.0181     82.7049     86.2900
  1834 CA   LEU    283      0.0198     83.1242     85.2000
  1842 CA   LEU    284      0.0429     88.5759     86.8500
  1850 CA   GLN    285      0.0474     89.6446     83.1700
  1859 CA   ARG    286      0.0441     88.8666     71.4200
  1870 CA   THR    287      0.0974    101.4969     58.5200
  1877 CA   GLN    288      0.1632    117.0840     56.5100
  1886 CA   PRO    289      0.2611    140.2586     57.0400
  1893 CA   GLY    290      0.3527    161.9708     58.6900
  1897 CA   ALA    291      0.1556    115.2729     56.4700
  1902 CA   ALA    292      0.0972    101.4501     58.2000
  1907 CA   PRO    293      0.0560     91.6945     58.2300
  1914 CA   CYS    294      0.0467     89.4981     57.5500
  1920 CA   LYS    295      0.0574     92.0319     53.2100
  1929 CA   GLN    296      0.0277     84.9903     56.1100
  1938 CA   SER    297      0.0170     82.4528     66.2200
  1944 CA   PHE    298      0.0161     82.2288     75.6200
  1955 CA   ARG    299      0.0135     81.6248     77.8100
  1966 CA   HIS    300      0.0212     83.4381     75.2600
  1976 CA   ALA    301      0.0293     85.3678     79.8900
  1981 CA   HIS    302      0.0267     84.7480     87.0200
  1991 CA   PRO    303      0.0248     84.2984     86.9700
  1998 CA   LEU    304      0.0342     86.5313     90.8000
  2006 CA   THR    305      0.0245     84.2250     92.2500
  2013 CA   GLY    306      0.0163     82.2885     90.9700
  2017 CA   HIS    307      0.0138     81.6978     92.3900
  2027 CA   ILE    308      0.0171     82.4758     95.0000
  2035 CA   VAL    309      0.0134     81.6106     94.9100
  2042 CA   ASN    310      0.0096     80.7007     93.4700
  2050 CA   LEU    311      0.0110     81.0361     96.5000
  2058 CA   ALA    312      0.0104     80.9007     97.2400
  2063 CA   ALA    313      0.0085     80.4445     96.7100
  2068 CA   PHE    314      0.0078     80.2723     96.8100
  2079 CA   SER    315      0.0092     80.6122     97.2300
  2085 CA   ASN    316      0.0079     80.2876     96.9700
  2093 CA   SER    317      0.0077     80.2498     97.0900
  2099 CA   CYS    318      0.0099     80.7592     96.5900
  2105 CA   LEU    319      0.0102     80.8323     95.9800
  2113 CA   ASN    320      0.0084     80.4163     91.7900
  2121 CA   PRO    321      0.0094     80.6414     92.2500
  2128 CA   LEU    322      0.0121     81.2825     91.6000
  2136 CA   ILE    323      0.0100     80.8046     90.8100
  2144 CA   TYR    324      0.0091     80.5772     84.9000
  2156 CA   SER    325      0.0117     81.1994     85.0300
  2162 CA   PHE    326      0.0166     82.3517     84.3000
  2173 CA   LEU    327      0.0132     81.5567     82.8500
  2181 CA   GLY    328      0.0142     81.7824     80.0300
  2185 CA   GLU    329      0.0203     83.2293     79.5700
  2194 CA   THR    330      0.0172     82.5098     80.7500
  2201 CA   PHE    331      0.0123     81.3497     83.1900
  2212 CA   ARG    332      0.0190     82.9199     86.7900
  2223 CA   ASP    333      0.0264     84.6695     86.3000
  2231 CA   LYS    334      0.0197     83.0936     85.9300
  2240 CA   LEU    335      0.0205     83.2855     88.8400
  2248 CA   ARG    336      0.0469     89.5267     89.6100
  2259 CA   LEU    337      0.0439     88.8203     90.0500
  2267 CA   TYR    338      0.0348     86.6702     89.2000
  2279 CA   ILE    339      0.0524     90.8289     89.2800
  2287 CA   GLU    340      0.0837     98.2583     87.9800
  2296 CA   GLN    341      0.0829     98.0660     85.3900
  2305 CA   LYS    342      0.1051    103.3084     82.5400
  2314 CA   THR    343      0.1524    114.5211     79.7300
  2321 CA   ASN    344      0.2102    128.2135     68.2100
  2329 CA   LEU    345      0.2471    136.9577     66.1400
  2337 CA   PRO    346      0.4505    185.1212     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.