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***  ADENOSINE_KINASE  ***

B-factor analysis for ID 220501082405107263

Overall B-factor prediction

Correlation= 0.473 for 328 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   PRO     12      0.0290     48.5385     50.3000
     9 CA   MET     13      0.0155     40.6333     26.7200
    17 CA   ARG     14      0.0114     38.2482     36.2400
    28 CA   VAL     15      0.0071     35.7573     28.6700
    35 CA   PHE     16      0.0051     34.5390     30.0000
    46 CA   ALA     17      0.0048     34.3762     39.0100
    51 CA   ILE     18      0.0049     34.4445     24.4200
    59 CA   GLY     19      0.0057     34.9282     20.2800
    63 CA   ASN     20      0.0070     35.7032     57.7900
    71 CA   PRO     21      0.0071     35.7124     65.0100
    78 CA   ILE     22      0.0083     36.4334     48.4500
    86 CA   LEU     23      0.0077     36.1050     33.0300
    94 CA   ASP     24      0.0094     37.0679     28.4200
   102 CA   LEU     25      0.0102     37.5579     34.5600
   110 CA   VAL     26      0.0156     40.6865     45.8800
   117 CA   ALA     27      0.0212     43.9701     47.5900
   122 CA   GLU     28      0.0334     51.0824     51.8100
   131 CA   VAL     29      0.0368     53.0885     60.2600
   138 CA   PRO     30      0.0721     73.7324     49.0100
   145 CA   SER     31      0.0739     74.7659     25.2800
   151 CA   SER     32      0.0803     78.4688     42.7300
   157 CA   PHE     33      0.0510     61.3521     49.2300
   168 CA   LEU     34      0.0456     58.2436     55.8400
   176 CA   ASP     35      0.0717     73.4653     57.0600
   184 CA   GLU     36      0.0688     71.8007     39.3700
   193 CA   PHE     37      0.0524     62.1851     34.0200
   204 CA   PHE     38      0.0758     75.8863     50.9100
   215 CA   LEU     39      0.0593     66.1984     63.2900
   223 CA   LYS     40      0.0749     75.3249     78.1400
   232 CA   ARG     41      0.0699     72.3933     78.0700
   243 CA   GLY     42      0.0824     79.7459     83.6100
   247 CA   ASP     43      0.0693     72.0794     49.7700
   255 CA   ALA     44      0.0522     62.0894     43.5000
   260 CA   THR     45      0.0568     64.7858     21.5200
   267 CA   LEU     46      0.0495     60.4927     24.9000
   275 CA   ALA     47      0.0385     54.0913     56.3400
   280 CA   THR     48      0.0766     76.3560     37.2800
   287 CA   PRO     49      0.0981     88.8660     49.5000
   294 CA   GLU     50      0.0684     71.5259     58.9800
   303 CA   GLN     51      0.0406     55.3182     59.3000
   312 CA   MET     52      0.0400     54.9345     51.7900
   320 CA   ARG     53      0.0540     63.1060     48.4500
   331 CA   ILE     54      0.0256     46.5495     29.7800
   339 CA   TYR     55      0.0202     43.3871     34.7800
   351 CA   SER     56      0.0374     53.4351     29.0900
   357 CA   THR     57      0.0350     52.0110     41.3500
   364 CA   LEU     58      0.0222     44.5374     35.9600
   372 CA   ASP     59      0.0292     48.6275     43.3000
   380 CA   GLN     60      0.0612     67.3090     74.5800
   389 CA   PHE     61      0.0506     61.1679     78.5900
   400 CA   ASN     62      0.0597     66.4317     91.6300
   408 CA   PRO     63      0.0311     49.7638     82.8400
   415 CA   THR     64      0.0480     59.6536     78.6100
   422 CA   SER     65      0.0172     41.6400     63.2100
   428 CA   LEU     66      0.0095     37.1205     51.2800
   436 CA   PRO     67      0.0085     36.5476     44.7500
   443 CA   GLY     68      0.0068     35.5287     50.5800
   447 CA   GLY     69      0.0071     35.7568     37.4700
   451 CA   SER     70      0.0064     35.3513     57.4500
   457 CA   ALA     71      0.0053     34.6866     52.2600
   462 CA   LEU     72      0.0059     35.0219     36.5700
   470 CA   ASN     73      0.0064     35.3211     25.4700
   478 CA   SER     74      0.0058     34.9511     33.9000
   484 CA   VAL     75      0.0054     34.7643     18.8700
   491 CA   ARG     76      0.0066     35.4244     27.8000
   502 CA   VAL     77      0.0075     35.9452     23.9900
   509 CA   VAL     78      0.0081     36.2904     20.2800
   516 CA   GLN     79      0.0090     36.8230     32.7100
   525 CA   LYS     80      0.0137     39.6119     50.1500
   534 CA   LEU     81      0.0142     39.8946     28.3900
   542 CA   LEU     82      0.0206     43.6079     33.7000
   550 CA   ARG     83      0.0290     48.5508     56.8900
   561 CA   LYS     84      0.0328     50.7367     56.2100
   570 CA   PRO     85      0.0315     49.9874     41.3400
   577 CA   GLY     86      0.0193     42.8323     35.7700
   581 CA   SER     87      0.0148     40.2209     40.1900
   587 CA   ALA     88      0.0081     36.3057     36.2800
   592 CA   GLY     89      0.0077     36.0648     33.4000
   596 CA   TYR     90      0.0058     34.9936     37.9000
   608 CA   MET     91      0.0060     35.0738     35.1100
   616 CA   GLY     92      0.0084     36.4729     45.5300
   620 CA   ALA     93      0.0099     37.3853     44.6600
   625 CA   ILE     94      0.0129     39.1315     42.6500
   633 CA   GLY     95      0.0186     42.4658     44.2100
   637 CA   ASP     96      0.0346     51.7827     36.4800
   645 CA   ASP     97      0.0268     47.2165     42.4100
   653 CA   PRO     98      0.0244     45.8640     43.7000
   660 CA   ARG     99      0.0149     40.2838     25.7100
   671 CA   GLY    100      0.0166     41.2709     26.2200
   675 CA   GLN    101      0.0325     50.5426     35.3500
   684 CA   VAL    102      0.0199     43.1955     22.9300
   691 CA   LEU    103      0.0114     38.2710     33.5800
   699 CA   LYS    104      0.0167     41.3526     45.8600
   708 CA   GLU    105      0.0280     47.9328     44.6000
   717 CA   LEU    106      0.0169     41.4603     53.3700
   725 CA   CYS    107      0.0119     38.5568     50.1700
   731 CA   ASP    108      0.0251     46.2223     37.0800
   739 CA   LYS    109      0.0438     57.1968     34.7400
   748 CA   GLU    110      0.0156     40.7053     40.9900
   757 CA   GLY    111      0.0163     41.1184     25.5400
   761 CA   LEU    112      0.0102     37.5578     37.9100
   769 CA   ALA    113      0.0104     37.6715     47.3800
   774 CA   THR    114      0.0083     36.4171     43.7600
   781 CA   ARG    115      0.0100     37.4261     46.8500
   792 CA   PHE    116      0.0100     37.4286     45.6200
   803 CA   MET    117      0.0123     38.7586     57.2300
   811 CA   VAL    118      0.0275     47.6479     41.7100
   818 CA   ALA    119      0.0291     48.5861     40.4000
   823 CA   PRO    120      0.0775     76.8628     47.4400
   830 CA   GLY    121      0.0828     79.9787     63.2700
   834 CA   GLN    122      0.0363     52.7942     70.7400
   843 CA   SER    123      0.0288     48.4086     83.5600
   849 CA   THR    124      0.0139     39.6860     76.9500
   856 CA   GLY    125      0.0117     38.4212     69.5400
   860 CA   THR    126      0.0111     38.0915     42.9400
   867 CA   CYS    127      0.0124     38.8270     27.2000
   873 CA   ALA    128      0.0119     38.5510     28.2700
   878 CA   VAL    129      0.0146     40.1253     29.2200
   885 CA   LEU    130      0.0199     43.2126     24.9500
   893 CA   ILE    131      0.0290     48.5336     35.3000
   901 CA   ASN    132      0.0575     65.1920     69.8400
   909 CA   GLU    133      0.0856     81.5636     92.4300
   918 CA   LYS    134      0.0508     61.2608     67.4200
   927 CA   GLU    135      0.0522     62.0546     59.3400
   936 CA   ARG    136      0.0316     50.0642     40.2200
   947 CA   THR    137      0.0322     50.3690     35.0500
   954 CA   LEU    138      0.0234     45.2582     27.9600
   962 CA   CYS    139      0.0216     44.2264     43.4700
   968 CA   THR    140      0.0210     43.8342     47.9500
   975 CA   HIS    141      0.0204     43.5282     75.0400
   985 CA   LEU    142      0.0168     41.4196     89.2200
   993 CA   GLY    143      0.0209     43.7684     71.2900
   997 CA   ALA    144      0.0174     41.7341     70.0100
  1002 CA   CYS    145      0.0131     39.2650     64.1900
  1008 CA   GLY    146      0.0170     41.5446     73.2500
  1012 CA   SER    147      0.0179     42.0588     71.1900
  1018 CA   PHE    148      0.0138     39.6758     50.8400
  1029 CA   ARG    149      0.0202     43.4081     71.6900
  1040 CA   ILE    150      0.0137     39.5675     86.8400
  1048 CA   PRO    151      0.0188     42.5696     54.2300
  1055 CA   GLU    152      0.0551     63.7958     57.0600
  1064 CA   ASP    153      0.0361     52.6785     59.8500
  1072 CA   TRP    154      0.0146     40.1052     52.5100
  1086 CA   THR    155      0.0162     41.0753     56.1700
  1093 CA   THR    156      0.0258     46.6671     54.0100
  1100 CA   PHE    157      0.0173     41.6728     55.6000
  1111 CA   ALA    158      0.0137     39.5854     59.0800
  1116 CA   SER    159      0.0284     48.1639     58.2100
  1122 CA   GLY    160      0.0205     43.5394     32.7900
  1126 CA   ALA    161      0.0126     38.9740     22.0400
  1131 CA   LEU    162      0.0132     39.3181     25.1500
  1139 CA   ILE    163      0.0074     35.9150     38.5400
  1147 CA   PHE    164      0.0047     34.3375     27.4000
  1158 CA   TYR    165      0.0039     33.8470     29.1900
  1170 CA   ALA    166      0.0051     34.5877     44.9700
  1175 CA   THR    167      0.0065     35.3682     45.9200
  1182 CA   ALA    168      0.0093     37.0430     43.1200
  1187 CA   TYR    169      0.0123     38.7559     22.3600
  1199 CA   THR    170      0.0113     38.2057     26.1700
  1206 CA   LEU    171      0.0137     39.5907     28.2300
  1214 CA   THR    172      0.0188     42.5671     34.4500
  1221 CA   ALA    173      0.0210     43.8651     45.4800
  1226 CA   THR    174      0.0219     44.3732     48.6400
  1233 CA   PRO    175      0.0171     41.5895     26.8500
  1240 CA   LYS    176      0.0211     43.9162     13.3300
  1249 CA   ASN    177      0.0116     38.3877     36.0200
  1257 CA   ALA    178      0.0092     36.9679     36.7200
  1262 CA   LEU    179      0.0112     38.1453     30.5200
  1270 CA   GLU    180      0.0123     38.7471     32.1300
  1279 CA   VAL    181      0.0090     36.8710     24.3000
  1286 CA   ALA    182      0.0099     37.3410     38.8200
  1291 CA   GLY    183      0.0162     41.0745     48.6300
  1295 CA   TYR    184      0.0169     41.4814     57.8600
  1307 CA   ALA    185      0.0137     39.5709     56.1700
  1312 CA   HIS    186      0.0235     45.3376     32.9800
  1322 CA   GLY    187      0.0405     55.2163     49.7800
  1326 CA   ILE    188      0.0493     60.3706     75.0900
  1334 CA   PRO    189      0.0511     61.4392     88.7000
  1341 CA   ASN    190      0.0513     61.5514     60.6700
  1349 CA   ALA    191      0.0170     41.4996     56.0200
  1354 CA   ILE    192      0.0071     35.7576     58.4700
  1362 CA   PHE    193      0.0058     34.9487     39.0700
  1373 CA   THR    194      0.0045     34.2072     28.2700
  1380 CA   LEU    195      0.0053     34.6977     32.6600
  1388 CA   ASN    196      0.0067     35.4748     42.8200
  1396 CA   LEU    197      0.0096     37.1837     27.6400
  1404 CA   SER    198      0.0150     40.3595     30.8500
  1410 CA   ALA    199      0.0234     45.2304     28.3200
  1415 CA   PRO    200      0.0295     48.8402     49.6100
  1422 CA   PHE    201      0.0304     49.3155     55.5800
  1433 CA   CYS    202      0.0195     42.9657     59.4000
  1439 CA   VAL    203      0.0195     42.9687     43.2500
  1446 CA   GLU    204      0.0325     50.5594     51.9300
  1455 CA   LEU    205      0.0373     53.3787     48.6800
  1463 CA   TYR    206      0.0234     45.2802     63.0100
  1475 CA   LYS    207      0.0275     47.6609     68.9600
  1484 CA   ASP    208      0.0537     62.9660     69.6100
  1492 CA   ALA    209      0.0291     48.5834     48.7200
  1497 CA   MET    210      0.0172     41.6105     42.7400
  1505 CA   GLN    211      0.0246     45.9770     42.0400
  1514 CA   SER    212      0.0196     43.0082     53.5000
  1520 CA   LEU    213      0.0128     39.0530     38.2400
  1528 CA   LEU    214      0.0150     40.3384     29.3600
  1536 CA   LEU    215      0.0189     42.6508     44.6600
  1544 CA   HIS    216      0.0120     38.5828     53.1700
  1554 CA   THR    217      0.0088     36.6975     40.1900
  1561 CA   ASN    218      0.0072     35.7790     42.2300
  1569 CA   ILE    219      0.0060     35.0753     52.5200
  1577 CA   LEU    220      0.0056     34.8321     38.3500
  1585 CA   PHE    221      0.0058     34.9965     31.0300
  1596 CA   GLY    222      0.0119     38.5135     53.7300
  1600 CA   ASN    223      0.0178     41.9696     43.1000
  1608 CA   GLU    224      0.0272     47.4645     46.0200
  1617 CA   GLU    225      0.0344     51.6629     53.1700
  1626 CA   GLU    226      0.0228     44.9114     52.5800
  1635 CA   PHE    227      0.0180     42.1047     54.5000
  1646 CA   ALA    228      0.0332     50.9821     44.2300
  1651 CA   HIS    229      0.0325     50.5654     48.8500
  1661 CA   LEU    230      0.0242     45.7038     39.0300
  1669 CA   ALA    231      0.0316     50.0438     39.5700
  1674 CA   LYS    232      0.0493     60.3635     59.5000
  1683 CA   VAL    233      0.0434     56.9431     52.2000
  1690 CA   HIS    234      0.0633     68.5338     70.7700
  1700 CA   ASN    235      0.1205    101.9626     64.6100
  1708 CA   LEU    236      0.0938     86.4001     67.9000
  1716 CA   VAL    237      0.1476    117.7995     80.9200
  1723 CA   ALA    238      0.1344    110.1052     81.4100
  1728 CA   LYS    241      0.0391     54.4462     34.8600
  1733 CA   THR    242      0.0425     56.4165     49.8300
  1738 CA   ALA    243      0.0529     62.5055     54.0700
  1743 CA   LEU    244      0.0304     49.3541     51.3300
  1748 CA   SER    245      0.0209     43.8190     45.8100
  1753 CA   THR    246      0.0296     48.8553     40.7900
  1758 CA   ALA    247      0.0366     52.9455     38.7000
  1763 CA   ASN    248      0.0283     48.1047     32.6300
  1768 CA   LYS    249      0.0295     48.8419     48.0300
  1773 CA   GLU    250      0.0651     69.6234     66.2200
  1778 CA   HIS    251      0.0655     69.8368     66.6400
  1783 CA   ALA    252      0.0818     79.3609     66.7700
  1788 CA   VAL    253      0.0539     63.0726     71.3100
  1793 CA   GLU    254      0.0482     59.7379     73.5200
  1798 CA   GLY    270      0.0220     44.4153     92.4500
  1802 CA   ALA    271      0.0136     39.5048     80.0900
  1807 CA   THR    272      0.0159     40.8859     50.1000
  1814 CA   LYS    273      0.0124     38.8250     50.0000
  1823 CA   LEU    274      0.0078     36.1197     52.7200
  1831 CA   VAL    275      0.0087     36.6909     58.4200
  1838 CA   VAL    276      0.0082     36.3675     49.2100
  1845 CA   MET    277      0.0120     38.5815     38.4100
  1853 CA   THR    278      0.0171     41.5848     37.2000
  1860 CA   ARG    279      0.0254     46.4050     63.2700
  1871 CA   GLY    280      0.0643     69.1524     81.1100
  1875 CA   HIS    281      0.0551     63.7932     77.2600
  1885 CA   ASN    282      0.0428     56.5908     36.5900
  1893 CA   PRO    283      0.0279     47.8637     25.1900
  1900 CA   VAL    284      0.0164     41.1470     30.5800
  1907 CA   ILE    285      0.0155     40.6611     22.4000
  1915 CA   ALA    286      0.0125     38.8670     40.9600
  1920 CA   ALA    287      0.0145     40.0768     64.6200
  1925 CA   GLU    288      0.0201     43.3520     56.1300
  1934 CA   GLN    289      0.0260     46.7802     53.6400
  1943 CA   THR    290      0.0772     76.7115     69.5200
  1950 CA   ALA    291      0.1825    138.1672     64.4500
  1955 CA   ASP    292      0.2741    191.6976     75.6000
  1963 CA   GLY    293      0.1739    133.1871     87.3300
  1967 CA   THR    294      0.0966     88.0022     70.2200
  1974 CA   VAL    295      0.0562     64.3899     30.6200
  1981 CA   VAL    296      0.0343     51.6196     52.1600
  1988 CA   VAL    297      0.0251     46.2677     56.6900
  1995 CA   HIS    298      0.0173     41.6964     57.3700
  2005 CA   GLU    299      0.0211     43.9207     48.4500
  2014 CA   VAL    300      0.0200     43.2526     36.0800
  2021 CA   GLY    301      0.0287     48.3267     54.4400
  2025 CA   VAL    302      0.0389     54.3128     37.3700
  2032 CA   PRO    303      0.0657     69.9565     78.5500
  2039 CA   VAL    304      0.0550     63.7080     95.1400
  2046 CA   VAL    305      0.1058     93.3957     96.1600
  2053 CA   ALA    306      0.1026     91.5423     90.4300
  2058 CA   ALA    307      0.1241    104.0719     84.4300
  2063 CA   GLU    308      0.0897     83.9902     87.2400
  2072 CA   LYS    309      0.0514     61.6207     93.9900
  2081 CA   ILE    310      0.0398     54.8105     90.9500
  2089 CA   VAL    311      0.0427     56.5277     71.4900
  2096 CA   ASP    312      0.0297     48.9277     60.5700
  2104 CA   THR    313      0.0513     61.5755     49.2200
  2111 CA   ASN    314      0.0283     48.1382     37.5900
  2119 CA   GLY    315      0.0154     40.5933     34.4900
  2123 CA   ALA    316      0.0138     39.6421     24.4100
  2128 CA   GLY    317      0.0131     39.2199     44.2900
  2132 CA   ASP    318      0.0087     36.6765     16.5700
  2140 CA   ALA    319      0.0081     36.3455     37.0600
  2145 CA   PHE    320      0.0073     35.8298     36.5400
  2156 CA   VAL    321      0.0057     34.9269     27.8300
  2163 CA   GLY    322      0.0067     35.4906     47.5900
  2167 CA   GLY    323      0.0070     35.6529     49.1500
  2171 CA   PHE    324      0.0054     34.7136     43.7800
  2182 CA   LEU    325      0.0053     34.7058     37.8200
  2190 CA   TYR    326      0.0090     36.8326     39.3700
  2202 CA   GLY    327      0.0118     38.5062     34.9500
  2206 CA   LEU    328      0.0098     37.3023     46.8900
  2214 CA   SER    329      0.0137     39.5598     51.3900
  2220 CA   GLN    330      0.0250     46.1617     29.5700
  2229 CA   GLY    331      0.0474     59.2882     33.5000
  2233 CA   LYS    332      0.0197     43.0931     33.1800
  2242 CA   THR    333      0.0201     43.3148     45.0400
  2249 CA   VAL    334      0.0151     40.4249     47.2700
  2256 CA   LYS    335      0.0169     41.4559     34.3800
  2265 CA   GLN    336      0.0191     42.7280     41.8000
  2274 CA   CYS    337      0.0108     37.9232     42.0900
  2280 CA   ILE    338      0.0101     37.4731     35.3700
  2288 CA   MET    339      0.0155     40.6672     49.2400
  2296 CA   CYS    340      0.0112     38.1002     38.0200
  2302 CA   GLY    341      0.0098     37.2973     48.9400
  2306 CA   ASN    342      0.0147     40.1452     39.8700
  2314 CA   ALA    343      0.0170     41.5096     41.7800
  2319 CA   CYS    344      0.0120     38.5720     42.2900
  2325 CA   ALA    345      0.0137     39.5661     33.4700
  2330 CA   GLN    346      0.0205     43.5536     33.0800
  2339 CA   ASP    347      0.0235     45.3103     43.9000
  2347 CA   VAL    348      0.0155     40.6646     44.4600
  2354 CA   ILE    349      0.0193     42.8377     65.3800
  2362 CA   GLN    350      0.0259     46.6903     56.0200
  2371 CA   HIS    351      0.0278     47.8335     88.7000
  2381 CA   VAL    352      0.0185     42.4108     92.6000
  2388 CA   GLY    353      0.0158     40.8072     76.1300
  2392 CA   PHE    354      0.0107     37.8447     70.1400
  2403 CA   SER    355      0.0161     40.9660     55.2400
  2409 CA   LEU    356      0.0326     50.6002     54.7100

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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.