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B-factor analysis for ID 22050814041994329

Overall B-factor prediction

Correlation= 0.697 for 298 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      0.1193     31.0014     40.3500
    10 CA   MET      2      0.0688     21.1630     25.5100
    18 CA   ILE      3      0.0416     15.8747     15.2900
    26 CA   ILE      4      0.0264     12.9022     14.2300
    34 CA   VAL      5      0.0193     11.5220     10.6100
    41 CA   GLY      6      0.0144     10.5681     12.4100
    45 CA   VAL      7      0.0164     10.9681     11.1500
    52 CA   ASP      8      0.0209     11.8376     16.0900
    60 CA   ALA      9      0.0287     13.3600     13.4200
    65 CA   GLY     10      0.0459     16.7054     20.2700
    69 CA   GLY     11      0.0835     24.0368     24.9100
    73 CA   THR     12      0.1183     30.8050     28.0400
    80 CA   LYS     13      0.0751     22.3868     24.3200
    89 CA   THR     14      0.0474     16.9995     15.6000
    96 CA   LYS     15      0.0402     15.6008     19.0300
   105 CA   ALA     16      0.0309     13.7868     16.4000
   110 CA   VAL     17      0.0308     13.7566     14.0900
   117 CA   ALA     18      0.0315     13.8921     12.5300
   122 CA   TYR     19      0.0367     14.9062     12.9100
   134 CA   ASP     20      0.0468     16.8867     20.4600
   142 CA   CYS     21      0.0509     17.6780     17.5800
   148 CA   GLU     22      0.0662     20.6673     23.6500
   157 CA   GLY     23      0.0506     17.6153     20.2800
   161 CA   ASN     24      0.0662     20.6509     17.6800
   169 CA   PHE     25      0.0637     20.1744     17.1900
   180 CA   ILE     26      0.0635     20.1263     23.3000
   188 CA   GLY     27      0.0610     19.6562     18.2300
   192 CA   GLU     28      0.0564     18.7487     18.2300
   201 CA   GLY     29      0.0585     19.1672     23.8300
   205 CA   SER     30      0.0640     20.2378     21.6200
   211 CA   SER     31      0.0719     21.7736     20.7500
   217 CA   GLY     32      0.0822     23.7751     19.4500
   221 CA   PRO     33      0.0706     21.5104     21.9600
   228 CA   GLY     34      0.0448     16.4918     18.6300
   232 CA   ASN     35      0.0521     17.9078     20.9100
   240 CA   TYR     36      0.0595     19.3596     23.6900
   252 CA   HIS     37      0.0818     23.7067     25.4200
   262 CA   ASN     38      0.1058     28.3802     28.5400
   270 CA   VAL     39      0.1056     28.3392     23.4200
   277 CA   GLY     40      0.0989     27.0224     23.5400
   281 CA   LEU     41      0.0719     21.7667     23.3800
   289 CA   THR     42      0.0880     24.9153     20.5300
   296 CA   ARG     43      0.0893     25.1538     23.5300
   307 CA   ALA     44      0.0581     19.0875     17.5300
   312 CA   ILE     45      0.0490     17.3096     16.4200
   320 CA   GLU     46      0.0688     21.1592     24.8300
   329 CA   ASN     47      0.0588     19.2189     20.7100
   337 CA   ILE     48      0.0374     15.0419     15.0200
   345 CA   LYS     49      0.0471     16.9452     18.2600
   354 CA   GLU     50      0.0599     19.4331     19.3500
   363 CA   ALA     51      0.0465     16.8238     16.5900
   368 CA   VAL     52      0.0354     14.6648     17.1200
   375 CA   LYS     53      0.0589     19.2352     18.3200
   384 CA   ILE     54      0.0676     20.9307     19.4400
   392 CA   ALA     55      0.0495     17.4118     19.1900
   397 CA   ALA     56      0.0499     17.4866     18.4300
   402 CA   LYS     57      0.0838     24.0898     26.1400
   411 CA   GLY     58      0.0872     24.7455     26.2100
   415 CA   GLU     59      0.0644     20.3067     23.5200
   424 CA   ALA     60      0.0425     16.0528     20.1000
   429 CA   ASP     61      0.0455     16.6283     17.5400
   437 CA   VAL     62      0.0290     13.4172     13.6300
   444 CA   VAL     63      0.0171     11.0892     14.8900
   451 CA   GLY     64      0.0113      9.9600     13.9600
   455 CA   MET     65      0.0105      9.8109     12.3400
   463 CA   GLY     66      0.0126     10.2275     15.4600
   467 CA   VAL     67      0.0185     11.3720     12.9800
   474 CA   ALA     68      0.0299     13.5949     16.0000
   479 CA   GLY     69      0.0391     15.3862     14.5700
   483 CA   LEU     70      0.0293     13.4643     21.0700
   491 CA   ASP     71      0.0363     14.8438     19.3800
   499 CA   SER     72      0.0530     18.0840     19.5800
   505 CA   LYS     73      0.0884     24.9791     20.7800
   514 CA   PHE     74      0.0833     23.9983     18.0800
   525 CA   ASP     75      0.0473     16.9769     17.6200
   533 CA   TRP     76      0.0368     14.9357     18.2000
   547 CA   GLU     77      0.0679     20.9945     19.4400
   556 CA   ASN     78      0.0638     20.1898     19.3000
   564 CA   PHE     79      0.0384     15.2457     16.4300
   575 CA   THR     80      0.0381     15.1827     20.0700
   582 CA   PRO     81      0.0654     20.5073     18.7300
   589 CA   LEU     82      0.0566     18.7873     20.2100
   597 CA   ALA     83      0.0348     14.5346     16.7200
   602 CA   SER     84      0.0406     15.6736     15.0900
   608 CA   LEU     85      0.0613     19.7151     21.3000
   616 CA   ILE     86      0.0424     16.0151     17.3100
   624 CA   ALA     87      0.0448     16.4886     17.6400
   629 CA   PRO     88      0.0631     20.0629     20.0400
   636 CA   LYS     89      0.0382     15.2015     15.7500
   645 CA   VAL     90      0.0258     12.7908     12.9300
   652 CA   ILE     91      0.0148     10.6544     11.4900
   660 CA   ILE     92      0.0135     10.3904     12.4100
   668 CA   GLN     93      0.0111      9.9282     11.6000
   677 CA   HIS     94      0.0142     10.5230     16.6100
   687 CA   ASP     95      0.0157     10.8234     18.4900
   695 CA   GLY     96      0.0158     10.8427     13.7500
   699 CA   VAL     97      0.0112      9.9425     12.0000
   706 CA   ILE     98      0.0100      9.7149     12.8100
   714 CA   ALA     99      0.0136     10.4123     10.5900
   719 CA   LEU    100      0.0119     10.0881      7.6400
   727 CA   PHE    101      0.0119     10.0865     10.8800
   738 CA   ALA    102      0.0148     10.6506     12.9100
   743 CA   GLU    103      0.0168     11.0399     16.0300
   752 CA   THR    104      0.0163     10.9312     15.1700
   759 CA   LEU    105      0.0185     11.3768     15.9600
   767 CA   GLY    106      0.0176     11.1874     12.0700
   771 CA   GLU    107      0.0250     12.6433     16.8000
   780 CA   PRO    108      0.0206     11.7735     13.1900
   787 CA   GLY    109      0.0146     10.6069     10.5900
   791 CA   VAL    110      0.0133     10.3545      8.2000
   798 CA   VAL    111      0.0124     10.1800      8.6400
   805 CA   VAL    112      0.0134     10.3667      6.3200
   812 CA   ILE    113      0.0163     10.9414     11.9900
   820 CA   ALA    114      0.0179     11.2448      8.5200
   825 CA   GLY    115      0.0312     13.8347     10.8200
   829 CA   THR    116      0.0354     14.6618     10.0400
   836 CA   GLY    117      0.0256     12.7535     13.3700
   840 CA   SER    118      0.0208     11.8242      5.5500
   846 CA   VAL    119      0.0166     11.0020     11.7700
   853 CA   VAL    120      0.0149     10.6648     12.3300
   860 CA   GLU    121      0.0133     10.3641     11.5900
   869 CA   GLY    122      0.0137     10.4232      8.8400
   873 CA   TYR    123      0.0171     11.0982     11.2600
   885 CA   ASN    124      0.0254     12.7160     12.9600
   893 CA   GLY    125      0.0597     19.3933     16.7200
   897 CA   LYS    126      0.0776     22.8841     22.4700
   906 CA   GLU    127      0.0372     15.0078     18.5200
   915 CA   PHE    128      0.0234     12.3292     20.3800
   926 CA   LEU    129      0.0196     11.5916     15.9100
   934 CA   ARG    130      0.0181     11.2985     16.7900
   945 CA   VAL    131      0.0198     11.6290     11.5800
   952 CA   GLY    132      0.0214     11.9277     11.5000
   956 CA   GLY    133      0.0273     13.0730      9.2500
   960 CA   ARG    134      0.0378     15.1302     12.9200
   971 CA   GLY    135      0.0525     17.9884     15.7000
   975 CA   TRP    136      0.0422     15.9841     13.7800
   989 CA   LEU    137      0.0910     25.4980      7.9900
   997 CA   LEU    138      0.0822     23.7702     12.9400
  1005 CA   SER    139      0.0323     14.0555      8.6100
  1011 CA   ASP    140      0.0244     12.5099     12.9600
  1019 CA   ASP    141      0.0177     11.2144     11.2400
  1027 CA   GLY    142      0.0146     10.6015     11.7900
  1031 CA   SER    143      0.0193     11.5221     12.4700
  1037 CA   ALA    144      0.0221     12.0605     12.0200
  1042 CA   TYR    145      0.0249     12.6203      9.8800
  1054 CA   TRP    146      0.0180     11.2749      9.6600
  1068 CA   VAL    147      0.0144     10.5710      5.1900
  1075 CA   GLY    148      0.0188     11.4187     13.2900
  1079 CA   ARG    149      0.0230     12.2468     10.7800
  1090 CA   LYS    150      0.0182     11.3143      7.4100
  1099 CA   ALA    151      0.0168     11.0338     10.2000
  1104 CA   LEU    152      0.0240     12.4456     12.5800
  1112 CA   ARG    153      0.0399     15.5355     10.5300
  1123 CA   LYS    154      0.0331     14.2190     12.5900
  1132 CA   VAL    155      0.0350     14.5847     12.4000
  1139 CA   LEU    156      0.0527     18.0306     13.3900
  1147 CA   LYS    157      0.0695     21.3114     15.1900
  1156 CA   MET    158      0.0634     20.1075     14.5600
  1164 CA   MET    159      0.0798     23.3045     15.3300
  1172 CA   ASP    160      0.1225     31.6345     16.0300
  1180 CA   GLY    161      0.1474     36.4696     18.5000
  1184 CA   LEU    162      0.1505     37.0824     18.6700
  1192 CA   GLU    163      0.1057     28.3491     30.0900
  1201 CA   ASN    164      0.1174     30.6289     29.5100
  1209 CA   LYS    165      0.0652     20.4702     24.7500
  1218 CA   THR    166      0.0580     19.0541     20.7600
  1225 CA   ILE    167      0.0515     17.8008     21.2800
  1233 CA   LEU    168      0.0324     14.0740     14.9500
  1241 CA   TYR    169      0.0408     15.7161     19.4100
  1253 CA   ASN    170      0.0568     18.8253     20.8900
  1261 CA   LYS    171      0.0460     16.7305     16.2800
  1270 CA   VAL    172      0.0367     14.9104     13.8900
  1277 CA   LEU    173      0.0568     18.8224     17.9300
  1285 CA   LYS    174      0.0833     23.9858     23.2900
  1294 CA   THR    175      0.0647     20.3672     21.1300
  1301 CA   ILE    176      0.0694     21.2843     18.3700
  1309 CA   ASN    177      0.1140     29.9676     25.5700
  1317 CA   VAL    178      0.0903     25.3564     26.3000
  1324 CA   LYS    179      0.1240     31.9161     27.0900
  1333 CA   ASP    180      0.1049     28.1994     19.5000
  1341 CA   LEU    181      0.0983     26.9051     18.7800
  1349 CA   ASP    182      0.1289     32.8655     20.6000
  1357 CA   GLU    183      0.1067     28.5489     17.8600
  1366 CA   LEU    184      0.0741     22.1899     16.4300
  1374 CA   VAL    185      0.1112     29.4186     20.5900
  1381 CA   MET    186      0.1325     33.5721     22.6200
  1389 CA   TRP    187      0.0932     25.9252     17.9300
  1403 CA   SER    188      0.0906     25.4177     16.6500
  1409 CA   TYR    189      0.1527     37.5109     21.2000
  1421 CA   THR    190      0.1562     38.1912     27.7900
  1428 CA   SER    191      0.0913     25.5567     20.0900
  1434 CA   SER    192      0.0903     25.3574     18.8200
  1440 CA   CYS    193      0.1121     29.5927     25.2800
  1446 CA   GLN    194      0.0915     25.5890     24.5800
  1455 CA   ILE    195      0.0598     19.4184     17.5500
  1463 CA   ASP    196      0.0707     21.5458     20.1900
  1471 CA   LEU    197      0.0633     20.0973     23.0100
  1479 CA   VAL    198      0.0380     15.1597     15.6000
  1486 CA   ALA    199      0.0367     14.9107     15.2700
  1491 CA   SER    200      0.0480     17.1053     17.4900
  1497 CA   ILE    201      0.0304     13.6874     11.3500
  1505 CA   ALA    202      0.0259     12.8087     15.5600
  1510 CA   LYS    203      0.0518     17.8517     17.7000
  1519 CA   ALA    204      0.0372     15.0067     15.3600
  1524 CA   VAL    205      0.0232     12.2863     11.0700
  1531 CA   ASP    206      0.0292     13.4603     14.5900
  1539 CA   GLU    207      0.0483     17.1698     19.9900
  1548 CA   ALA    208      0.0385     15.2596     13.3800
  1553 CA   ALA    209      0.0356     14.6919     12.3700
  1558 CA   ASN    210      0.0576     18.9788     17.5200
  1566 CA   GLU    211      0.0777     22.9032     18.3200
  1575 CA   GLY    212      0.0785     23.0573     15.9500
  1579 CA   ASP    213      0.0476     17.0442     12.9500
  1587 CA   THR    214      0.0528     18.0454     15.3000
  1594 CA   VAL    215      0.0317     13.9446     13.1500
  1601 CA   ALA    216      0.0222     12.0913     11.8100
  1606 CA   MET    217      0.0251     12.6526     13.1800
  1614 CA   ASP    218      0.0255     12.7330     11.8400
  1622 CA   ILE    219      0.0148     10.6483      8.1300
  1630 CA   LEU    220      0.0145     10.5966      9.0200
  1638 CA   LYS    221      0.0177     11.2070      8.7900
  1647 CA   GLN    222      0.0187     11.4113      8.5400
  1656 CA   GLY    223      0.0140     10.4987      8.1900
  1660 CA   ALA    224      0.0137     10.4271     11.2400
  1665 CA   GLU    225      0.0167     11.0104     10.2100
  1674 CA   LEU    226      0.0177     11.2202     12.0800
  1682 CA   LEU    227      0.0147     10.6189      7.4000
  1690 CA   ALA    228      0.0153     10.7488      9.7900
  1695 CA   SER    229      0.0195     11.5697      8.6200
  1701 CA   GLN    230      0.0183     11.3303      9.6300
  1710 CA   ALA    231      0.0151     10.7115      8.5800
  1715 CA   VAL    232      0.0185     11.3768     11.6600
  1722 CA   TYR    233      0.0279     13.1953      9.8700
  1734 CA   LEU    234      0.0194     11.5344      6.8900
  1742 CA   ALA    235      0.0200     11.6532     10.5900
  1747 CA   ARG    236      0.0287     13.3499     11.7500
  1758 CA   LYS    237      0.0354     14.6513     15.9600
  1767 CA   ILE    238      0.0254     12.7133     14.6300
  1775 CA   GLY    239      0.0333     14.2448     14.2300
  1779 CA   THR    240      0.0267     12.9721     14.5300
  1786 CA   ASN    241      0.0300     13.5989     13.2100
  1794 CA   LYS    242      0.0221     12.0611     14.7600
  1803 CA   VAL    243      0.0145     10.5973     10.8400
  1810 CA   TYR    244      0.0150     10.6800     11.6000
  1822 CA   LEU    245      0.0162     10.9207      9.0700
  1830 CA   LYS    246      0.0195     11.5590     14.0600
  1839 CA   GLY    247      0.0301     13.6231     12.7000
  1843 CA   GLY    248      0.0359     14.7574     13.7700
  1847 CA   MET    249      0.0212     11.8905     10.3200
  1855 CA   PHE    250      0.0217     11.9964     10.7400
  1866 CA   ARG    251      0.0542     18.3232     15.8200
  1877 CA   SER    252      0.0331     14.2182     15.3800
  1883 CA   ASN    253      0.0379     15.1418     17.8300
  1891 CA   ILE    254      0.0263     12.8926     17.2500
  1899 CA   TYR    255      0.0180     11.2630     11.4100
  1911 CA   HIS    256      0.0198     11.6275     10.9400
  1921 CA   LYS    257      0.0292     13.4543      9.7100
  1930 CA   PHE    258      0.0213     11.9138     10.6700
  1941 CA   PHE    259      0.0164     10.9655      9.5400
  1952 CA   THR    260      0.0211     11.8720     14.5600
  1959 CA   LEU    261      0.0299     13.5899     16.9000
  1967 CA   TYR    262      0.0236     12.3634     11.9000
  1979 CA   LEU    263      0.0211     11.8808     13.0400
  1987 CA   GLU    264      0.0346     14.5139     16.2400
  1996 CA   LYS    265      0.0465     16.8250     16.5600
  2005 CA   GLU    266      0.0414     15.8361     19.9200
  2014 CA   GLY    267      0.0410     15.7453     16.9600
  2018 CA   ILE    268      0.0271     13.0363     12.7600
  2026 CA   ILE    269      0.0287     13.3535     18.0200
  2034 CA   SER    270      0.0212     11.9019     13.5200
  2040 CA   ASP    271      0.0246     12.5556     19.4000
  2048 CA   LEU    272      0.0257     12.7716     15.8000
  2056 CA   GLY    273      0.0314     13.8866     23.6300
  2060 CA   LYS    274      0.0516     17.8251     22.4200
  2069 CA   ARG    275      0.0304     13.6785     17.8500
  2080 CA   SER    276      0.0318     13.9561     14.6800
  2086 CA   PRO    277      0.0202     11.7002     16.8200
  2093 CA   GLU    278      0.0180     11.2739     13.6800
  2102 CA   ILE    279      0.0177     11.2183     13.4300
  2110 CA   GLY    280      0.0123     10.1617     15.4200
  2114 CA   ALA    281      0.0099      9.6960     12.4400
  2119 CA   VAL    282      0.0122     10.1378      9.3100
  2126 CA   ILE    283      0.0123     10.1644      8.3000
  2134 CA   LEU    284      0.0099      9.7006     13.4900
  2142 CA   ALA    285      0.0155     10.7755     16.7300
  2147 CA   TYR    286      0.0217     11.9838     13.3300
  2159 CA   LYS    287      0.0233     12.3023     17.0800
  2168 CA   GLU    288      0.0309     13.7901     15.4800
  2177 CA   VAL    289      0.0442     16.3761     22.6000
  2184 CA   GLY    290      0.0571     18.8939     24.7200
  2188 CA   CYS    291      0.0470     16.9252     22.7200
  2194 CA   ASP    292      0.0565     18.7761     25.4300
  2202 CA   ILE    293      0.0379     15.1416     20.6800
  2210 CA   LYS    294      0.0690     21.2009     28.3000
  2219 CA   LYS    295      0.0619     19.8310     26.8900
  2228 CA   LEU    296      0.0423     16.0098     29.6000
  2236 CA   ILE    297      0.0547     18.4258     40.7300
  2244 CA   SER    298      0.1398     34.9938     59.7700

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.