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***  hexokinase bound   ***

B-factor analysis for ID 22050518240126990

Overall B-factor prediction

Correlation= 0.143 for 299 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      0.0927     22.9490     41.1400
    10 CA   MET      2      0.0516     20.7639     29.4700
    18 CA   ILE      3      0.0280     19.5071     23.3200
    26 CA   ILE      4      0.0181     18.9827     16.9500
    34 CA   VAL      5      0.0122     18.6678     16.9300
    41 CA   GLY      6      0.0098     18.5414     15.5000
    45 CA   VAL      7      0.0089     18.4947     15.3000
    52 CA   ASP      8      0.0104     18.5713     15.2100
    60 CA   ALA      9      0.0111     18.6110     18.0100
    65 CA   GLY     10      0.0156     18.8514     21.2800
    69 CA   GLY     11      0.0185     19.0053     21.1400
    73 CA   THR     12      0.0269     19.4489     20.4300
    80 CA   LYS     13      0.0284     19.5324     17.5600
    89 CA   THR     14      0.0191     19.0370     14.7000
    96 CA   LYS     15      0.0203     19.0993     17.7200
   105 CA   ALA     16      0.0168     18.9121     14.5300
   110 CA   VAL     17      0.0199     19.0767     15.9600
   117 CA   ALA     18      0.0210     19.1394     16.6000
   122 CA   TYR     19      0.0273     19.4727     17.8300
   134 CA   ASP     20      0.0352     19.8941     17.1700
   142 CA   CYS     21      0.0401     20.1544     16.4400
   148 CA   GLU     22      0.0567     21.0363     21.2500
   157 CA   GLY     23      0.0461     20.4718     17.4600
   161 CA   ASN     24      0.0549     20.9414     18.7200
   169 CA   PHE     25      0.0499     20.6753     17.9800
   180 CA   ILE     26      0.0483     20.5883     21.1400
   188 CA   GLY     27      0.0431     20.3114     18.7100
   192 CA   GLU     28      0.0379     20.0348     18.2100
   201 CA   GLY     29      0.0325     19.7500     19.8200
   205 CA   SER     30      0.0328     19.7666     19.9400
   211 CA   SER     31      0.0319     19.7142     19.9000
   217 CA   GLY     32      0.0319     19.7163     19.7000
   221 CA   PRO     33      0.0220     19.1928     21.7000
   228 CA   GLY     34      0.0160     18.8692     17.7000
   232 CA   ASN     35      0.0166     18.9023     16.1200
   240 CA   TYR     36      0.0197     19.0658     18.3200
   252 CA   HIS     37      0.0222     19.1997     24.2000
   262 CA   ASN     38      0.0248     19.3391     25.9300
   270 CA   VAL     39      0.0349     19.8754     22.9700
   277 CA   GLY     40      0.0352     19.8931     21.4700
   281 CA   LEU     41      0.0295     19.5909     18.3800
   289 CA   THR     42      0.0419     20.2493     20.1200
   296 CA   ARG     43      0.0389     20.0897     18.0600
   307 CA   ALA     44      0.0222     19.2017     19.2500
   312 CA   ILE     45      0.0221     19.1949     19.4900
   320 CA   GLU     46      0.0315     19.6958     18.7100
   329 CA   ASN     47      0.0245     19.3232     21.3100
   337 CA   ILE     48      0.0169     18.9216     18.7500
   345 CA   LYS     49      0.0233     19.2586     18.9000
   354 CA   GLU     50      0.0305     19.6413     17.1400
   363 CA   ALA     51      0.0243     19.3136     18.6400
   368 CA   VAL     52      0.0194     19.0523     15.9900
   375 CA   LYS     53      0.0383     20.0555     22.8400
   384 CA   ILE     54      0.0423     20.2703     21.2700
   392 CA   ALA     55      0.0311     19.6738     21.6900
   397 CA   ALA     56      0.0317     19.7055     21.7400
   402 CA   LYS     57      0.0594     21.1765     32.5900
   411 CA   GLY     58      0.0624     21.3353     33.3200
   415 CA   GLU     59      0.0499     20.6756     30.0400
   424 CA   ALA     60      0.0279     19.5027     21.9200
   429 CA   ASP     61      0.0305     19.6407     21.7500
   437 CA   VAL     62      0.0199     19.0797     22.1800
   444 CA   VAL     63      0.0115     18.6335     17.0100
   451 CA   GLY     64      0.0092     18.5118     18.5900
   455 CA   MET     65      0.0070     18.3951     13.7900
   463 CA   GLY     66      0.0080     18.4452     13.6900
   467 CA   VAL     67      0.0090     18.4978     14.8400
   474 CA   ALA     68      0.0119     18.6547     16.9200
   479 CA   GLY     69      0.0158     18.8595     19.1500
   483 CA   LEU     70      0.0141     18.7683     15.8300
   491 CA   ASP     71      0.0204     19.1055     18.6000
   499 CA   SER     72      0.0350     19.8803     20.5700
   505 CA   LYS     73      0.0669     21.5771     21.5500
   514 CA   PHE     74      0.0531     20.8430     23.9100
   525 CA   ASP     75      0.0247     19.3325     23.0800
   533 CA   TRP     76      0.0224     19.2122     24.2900
   547 CA   GLU     77      0.0449     20.4075     30.2200
   556 CA   ASN     78      0.0363     19.9515     35.5900
   564 CA   PHE     79      0.0193     19.0459     24.4800
   575 CA   THR     80      0.0230     19.2449     23.2500
   582 CA   PRO     81      0.0364     19.9544     30.6800
   589 CA   LEU     82      0.0293     19.5798     28.9400
   597 CA   ALA     83      0.0198     19.0750     22.3400
   602 CA   SER     84      0.0264     19.4227     29.0800
   608 CA   LEU     85      0.0381     20.0441     35.4400
   616 CA   ILE     86      0.0260     19.4013     29.8500
   624 CA   ALA     87      0.0302     19.6242     23.3000
   629 CA   PRO     88      0.0458     20.4569     24.0900
   636 CA   LYS     89      0.0288     19.5538     24.2700
   645 CA   VAL     90      0.0199     19.0786     17.9700
   652 CA   ILE     91      0.0122     18.6714     16.4400
   660 CA   ILE     92      0.0108     18.5954     14.2900
   668 CA   GLN     93      0.0087     18.4814     15.6800
   677 CA   HIS     94      0.0088     18.4883     18.4400
   687 CA   ASP     95      0.0082     18.4588     12.2100
   695 CA   GLY     96      0.0083     18.4600     14.5600
   699 CA   VAL     97      0.0085     18.4729     16.0900
   706 CA   ILE     98      0.0075     18.4198     16.0400
   714 CA   ALA     99      0.0086     18.4787     14.7000
   719 CA   LEU    100      0.0084     18.4649     15.5900
   727 CA   PHE    101      0.0118     18.6500     17.5700
   738 CA   ALA    102      0.0118     18.6485     14.4100
   743 CA   GLU    103      0.0139     18.7613     14.2900
   752 CA   THR    104      0.0162     18.8824     17.7700
   759 CA   LEU    105      0.0217     19.1745     20.8100
   767 CA   GLY    106      0.0319     19.7172     25.8400
   771 CA   GLU    107      0.0410     20.2007     22.8100
   780 CA   PRO    108      0.0246     19.3288     21.4000
   787 CA   GLY    109      0.0133     18.7303     16.3100
   791 CA   VAL    110      0.0102     18.5639     15.5300
   798 CA   VAL    111      0.0077     18.4311     14.3000
   805 CA   VAL    112      0.0083     18.4615     14.6600
   812 CA   ILE    113      0.0088     18.4896     12.3000
   820 CA   ALA    114      0.0109     18.5975     15.6700
   825 CA   GLY    115      0.0141     18.7679     16.8600
   829 CA   THR    116      0.0132     18.7242     11.4400
   836 CA   GLY    117      0.0119     18.6554     13.8900
   840 CA   SER    118      0.0111     18.6104     11.9300
   846 CA   VAL    119      0.0094     18.5182     13.7300
   853 CA   VAL    120      0.0087     18.4848     15.7600
   860 CA   GLU    121      0.0090     18.4982     15.4400
   869 CA   GLY    122      0.0108     18.5960     18.9200
   873 CA   TYR    123      0.0200     19.0813     17.4600
   885 CA   ASN    124      0.0303     19.6304     30.2100
   893 CA   GLY    125      0.0756     22.0403     34.4700
   897 CA   LYS    126      0.0870     22.6448     30.4900
   906 CA   GLU    127      0.0424     20.2754     27.9900
   915 CA   PHE    128      0.0254     19.3726     20.9500
   926 CA   LEU    129      0.0164     18.8931     20.3400
   934 CA   ARG    130      0.0122     18.6675     19.6900
   945 CA   VAL    131      0.0123     18.6753     20.1500
   952 CA   GLY    132      0.0133     18.7266     15.4400
   956 CA   GLY    133      0.0148     18.8075     14.4500
   960 CA   ARG    134      0.0193     19.0463     14.3000
   971 CA   GLY    135      0.0227     19.2253     14.1500
   975 CA   TRP    136      0.0202     19.0949     15.1200
   989 CA   LEU    137      0.0667     21.5687     12.7600
   997 CA   LEU    138      0.0607     21.2461     14.8200
  1005 CA   SER    139      0.0186     19.0083     13.8400
  1011 CA   ASP    140      0.0140     18.7649     14.4600
  1019 CA   ASP    141      0.0112     18.6141     13.3200
  1027 CA   GLY    142      0.0097     18.5379     13.8200
  1031 CA   SER    143      0.0113     18.6215     13.8000
  1037 CA   ALA    144      0.0119     18.6521     12.5400
  1042 CA   TYR    145      0.0133     18.7254     15.1100
  1054 CA   TRP    146      0.0108     18.5943     13.9500
  1068 CA   VAL    147      0.0096     18.5317     12.0700
  1075 CA   GLY    148      0.0107     18.5897     16.3000
  1079 CA   ARG    149      0.0136     18.7411     12.2700
  1090 CA   LYS    150      0.0124     18.6795     13.2900
  1099 CA   ALA    151      0.0110     18.6062     15.1700
  1104 CA   LEU    152      0.0138     18.7521     16.7400
  1112 CA   ARG    153      0.0302     19.6243     13.3800
  1123 CA   LYS    154      0.0244     19.3199     16.5000
  1132 CA   VAL    155      0.0239     19.2920     18.0400
  1139 CA   LEU    156      0.0372     19.9986     14.4200
  1147 CA   LYS    157      0.0526     20.8179     16.6200
  1156 CA   MET    158      0.0455     20.4394     19.0500
  1164 CA   MET    159      0.0575     21.0798     20.2300
  1172 CA   ASP    160      0.0938     23.0063     20.7600
  1180 CA   GLY    161      0.1181     24.3001     23.0800
  1184 CA   LEU    162      0.1260     24.7161     23.3400
  1192 CA   GLU    163      0.0809     22.3225     29.8500
  1201 CA   ASN    164      0.0917     22.8946     27.5900
  1209 CA   LYS    165      0.0486     20.6022     22.9800
  1218 CA   THR    166      0.0444     20.3831     21.1300
  1225 CA   ILE    167      0.0385     20.0676     24.4300
  1233 CA   LEU    168      0.0233     19.2595     19.8600
  1241 CA   TYR    169      0.0287     19.5451     20.8100
  1253 CA   ASN    170      0.0392     20.1038     24.8200
  1261 CA   LYS    171      0.0309     19.6656     21.2300
  1270 CA   VAL    172      0.0230     19.2439     21.0900
  1277 CA   LEU    173      0.0372     19.9959     27.6100
  1285 CA   LYS    174      0.0591     21.1638     28.1100
  1294 CA   THR    175      0.0409     20.1936     28.5100
  1301 CA   ILE    176      0.0405     20.1756     23.8500
  1309 CA   ASN    177      0.0760     22.0595     31.7500
  1317 CA   VAL    178      0.0553     20.9614     25.8900
  1324 CA   LYS    179      0.0953     23.0879     33.8100
  1333 CA   ASP    180      0.0806     22.3038     24.6600
  1341 CA   LEU    181      0.0689     21.6841     24.7400
  1349 CA   ASP    182      0.0866     22.6259     24.2700
  1357 CA   GLU    183      0.0668     21.5743     21.6100
  1366 CA   LEU    184      0.0430     20.3040     22.4300
  1374 CA   VAL    185      0.0715     21.8215     24.4100
  1381 CA   MET    186      0.0810     22.3255     26.5100
  1389 CA   TRP    187      0.0496     20.6589     25.7500
  1403 CA   SER    188      0.0469     20.5149     27.8500
  1409 CA   TYR    189      0.0944     23.0413     41.4600
  1421 CA   THR    190      0.0915     22.8872     42.4900
  1428 CA   SER    191      0.0449     20.4093     35.9500
  1434 CA   SER    192      0.0526     20.8154     38.2800
  1440 CA   CYS    193      0.0582     21.1135     36.6700
  1446 CA   GLN    194      0.0436     20.3366     29.9200
  1455 CA   ILE    195      0.0219     19.1868     21.0300
  1463 CA   ASP    196      0.0270     19.4570     21.2200
  1471 CA   LEU    197      0.0285     19.5361     20.4700
  1479 CA   VAL    198      0.0171     18.9301     16.8000
  1486 CA   ALA    199      0.0173     18.9398     13.6800
  1491 CA   SER    200      0.0240     19.2939     19.1500
  1497 CA   ILE    201      0.0162     18.8826     16.8200
  1505 CA   ALA    202      0.0164     18.8936     16.2000
  1510 CA   LYS    203      0.0267     19.4392     21.5300
  1519 CA   ALA    204      0.0233     19.2607     17.2200
  1524 CA   VAL    205      0.0167     18.9081     16.6300
  1531 CA   ASP    206      0.0218     19.1808     15.4900
  1539 CA   GLU    207      0.0369     19.9815     19.8600
  1548 CA   ALA    208      0.0295     19.5882     20.5200
  1553 CA   ALA    209      0.0284     19.5316     16.8300
  1558 CA   ASN    210      0.0467     20.5006     19.3200
  1566 CA   GLU    211      0.0643     21.4371     24.0800
  1575 CA   GLY    212      0.0660     21.5290     21.3300
  1579 CA   ASP    213      0.0392     20.1025     23.1000
  1587 CA   THR    214      0.0432     20.3195     24.2100
  1594 CA   VAL    215      0.0269     19.4488     21.0600
  1601 CA   ALA    216      0.0186     19.0093     17.0900
  1606 CA   MET    217      0.0212     19.1494     18.7400
  1614 CA   ASP    218      0.0229     19.2393     18.6800
  1622 CA   ILE    219      0.0121     18.6637     14.2500
  1630 CA   LEU    220      0.0121     18.6614     13.3500
  1638 CA   LYS    221      0.0151     18.8226     17.4000
  1647 CA   GLN    222      0.0144     18.7884     14.4800
  1656 CA   GLY    223      0.0109     18.6003     16.0300
  1660 CA   ALA    224      0.0108     18.5967     14.8600
  1665 CA   GLU    225      0.0132     18.7220     15.8500
  1674 CA   LEU    226      0.0137     18.7516     15.5200
  1682 CA   LEU    227      0.0104     18.5711     15.7400
  1690 CA   ALA    228      0.0112     18.6149     15.2700
  1695 CA   SER    229      0.0147     18.8020     18.7900
  1701 CA   GLN    230      0.0130     18.7104     16.6700
  1710 CA   ALA    231      0.0114     18.6252     15.0400
  1715 CA   VAL    232      0.0151     18.8251     19.0600
  1722 CA   TYR    233      0.0239     19.2905     21.2900
  1734 CA   LEU    234      0.0156     18.8500     18.5800
  1742 CA   ALA    235      0.0172     18.9340     17.6300
  1747 CA   ARG    236      0.0262     19.4135     20.2500
  1758 CA   LYS    237      0.0323     19.7371     22.7100
  1767 CA   ILE    238      0.0254     19.3735     26.5700
  1775 CA   GLY    239      0.0342     19.8362     25.7200
  1779 CA   THR    240      0.0259     19.3951     23.1200
  1786 CA   ASN    241      0.0290     19.5613     24.1100
  1794 CA   LYS    242      0.0195     19.0570     19.4300
  1803 CA   VAL    243      0.0111     18.6133     17.3200
  1810 CA   TYR    244      0.0113     18.6203     15.9200
  1822 CA   LEU    245      0.0108     18.5974     14.7200
  1830 CA   LYS    246      0.0128     18.7008     13.4200
  1839 CA   GLY    247      0.0188     19.0219     14.3100
  1843 CA   GLY    248      0.0246     19.3291     17.5800
  1847 CA   MET    249      0.0150     18.8200     13.6600
  1855 CA   PHE    250      0.0158     18.8619     18.3200
  1866 CA   ARG    251      0.0303     19.6319     19.0800
  1877 CA   SER    252      0.0246     19.3289     17.4900
  1883 CA   ASN    253      0.0300     19.6141     21.5500
  1891 CA   ILE    254      0.0218     19.1785     17.9300
  1899 CA   TYR    255      0.0146     18.7985     18.9100
  1911 CA   HIS    256      0.0155     18.8443     18.2400
  1921 CA   LYS    257      0.0242     19.3047     18.4800
  1930 CA   PHE    258      0.0174     18.9449     16.6100
  1941 CA   PHE    259      0.0134     18.7331     17.3100
  1952 CA   THR    260      0.0177     18.9595     16.5100
  1959 CA   LEU    261      0.0250     19.3497     22.5000
  1967 CA   TYR    262      0.0197     19.0668     19.2000
  1979 CA   LEU    263      0.0177     18.9595     16.4600
  1987 CA   GLU    264      0.0287     19.5484     23.2400
  1996 CA   LYS    265      0.0424     20.2764     26.0800
  2005 CA   GLU    266      0.0352     19.8893     26.9400
  2014 CA   GLY    267      0.0361     19.9394     25.3300
  2018 CA   ILE    268      0.0231     19.2499     23.1600
  2026 CA   ILE    269      0.0230     19.2435     19.4200
  2034 CA   SER    270      0.0170     18.9220     23.5700
  2040 CA   ASP    271      0.0189     19.0272     15.4300
  2048 CA   LEU    272      0.0191     19.0382     17.5100
  2056 CA   GLY    273      0.0257     19.3847     17.1000
  2060 CA   LYS    274      0.0489     20.6194     16.6600
  2069 CA   ARG    275      0.0192     19.0402     13.0900
  2080 CA   SER    276      0.0177     18.9598     15.3100
  2086 CA   PRO    277      0.0109     18.6007     15.4300
  2093 CA   GLU    278      0.0104     18.5745     14.4800
  2102 CA   ILE    279      0.0132     18.7231     15.3100
  2110 CA   GLY    280      0.0110     18.6070     16.2200
  2114 CA   ALA    281      0.0085     18.4708     18.6300
  2119 CA   VAL    282      0.0103     18.5677     13.1200
  2126 CA   ILE    283      0.0139     18.7611     14.8400
  2134 CA   LEU    284      0.0133     18.7269     17.6900
  2142 CA   ALA    285      0.0155     18.8458     19.4900
  2147 CA   TYR    286      0.0214     19.1606     21.5900
  2159 CA   LYS    287      0.0305     19.6424     24.6900
  2168 CA   GLU    288      0.0367     19.9695     30.7000
  2177 CA   VAL    289      0.0432     20.3153     28.1100
  2184 CA   GLY    290      0.0598     21.1987     26.8800
  2188 CA   CYS    291      0.0460     20.4653     20.7300
  2194 CA   ASP    292      0.0598     21.2014     22.6900
  2202 CA   ILE    293      0.0448     20.4031     20.1700
  2210 CA   LYS    294      0.0816     22.3587     17.5000
  2219 CA   LYS    295      0.0666     21.5589     18.1600
  2228 CA   LEU    296      0.0559     20.9927     14.3200
  2236 CA   ILE    297      0.1748     27.3101     16.3900
  2244 CA   SER    298      0.4436     41.6028     17.2400
  2250 CA   ASP    299      1.7572    111.4292     22.5100

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.