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***  ADENOSINE_KINASE  ***

B-factor analysis for ID 220501084101121917

Overall B-factor prediction

Correlation= 0.466 for 325 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      0.0289     48.1028     50.3000
     9 CA   MET     13      0.0154     40.8023     26.7200
    17 CA   ARG     14      0.0113     38.5781     36.2400
    28 CA   VAL     15      0.0071     36.2757     28.6700
    35 CA   PHE     16      0.0050     35.1606     30.0000
    46 CA   ALA     17      0.0047     35.0071     39.0100
    51 CA   ILE     18      0.0049     35.0714     24.4200
    59 CA   GLY     19      0.0057     35.5278     20.2800
    63 CA   ASN     20      0.0070     36.2486     57.7900
    71 CA   PRO     21      0.0071     36.2614     65.0100
    78 CA   ILE     22      0.0083     36.9189     48.4500
    86 CA   LEU     23      0.0077     36.6086     33.0300
    94 CA   ASP     24      0.0093     37.4979     28.4200
   102 CA   LEU     25      0.0102     37.9423     34.5600
   110 CA   VAL     26      0.0155     40.8302     45.8800
   117 CA   ALA     27      0.0211     43.8436     47.5900
   122 CA   GLU     28      0.0332     50.4021     51.8100
   131 CA   VAL     29      0.0364     52.1416     60.2600
   138 CA   PRO     30      0.0714     71.0806     49.0100
   145 CA   SER     31      0.0733     72.0940     25.2800
   151 CA   SER     32      0.0797     75.5924     42.7300
   157 CA   PHE     33      0.0505     59.7768     49.2300
   168 CA   LEU     34      0.0452     56.9010     55.8400
   176 CA   ASP     35      0.0712     70.9969     57.0600
   184 CA   GLU     36      0.0683     69.4130     39.3700
   193 CA   PHE     37      0.0518     60.4838     34.0200
   204 CA   PHE     38      0.0752     73.1486     50.9100
   215 CA   LEU     39      0.0587     64.2019     63.2900
   223 CA   LYS     40      0.0743     72.6717     78.1400
   232 CA   ARG     41      0.0693     69.9269     78.0700
   243 CA   GLY     42      0.0820     76.8171     83.6100
   247 CA   ASP     43      0.0689     69.7453     49.7700
   255 CA   ALA     44      0.0516     60.3815     43.5000
   260 CA   THR     45      0.0563     62.8878     21.5200
   267 CA   LEU     46      0.0490     58.9819     24.9000
   275 CA   ALA     47      0.0381     53.0829     56.3400
   280 CA   THR     48      0.0761     73.6266     37.2800
   287 CA   PRO     49      0.0975     85.1946     49.5000
   294 CA   GLU     50      0.0680     69.2495     58.9800
   303 CA   GLN     51      0.0403     54.2725     59.3000
   312 CA   MET     52      0.0397     53.9146     51.7900
   320 CA   ARG     53      0.0535     61.4108     48.4500
   331 CA   ILE     54      0.0254     46.1886     29.7800
   339 CA   TYR     55      0.0201     43.2962     34.7800
   351 CA   SER     56      0.0372     52.5690     29.0900
   357 CA   THR     57      0.0347     51.2401     41.3500
   364 CA   LEU     58      0.0220     44.3529     35.9600
   372 CA   ASP     59      0.0290     48.1320     43.3000
   380 CA   GLN     60      0.0608     65.3553     74.5800
   389 CA   PHE     61      0.0504     59.6932     78.5900
   400 CA   ASN     62      0.0594     64.6078     91.6300
   408 CA   PRO     63      0.0310     49.2142     82.8400
   415 CA   THR     64      0.0479     58.3410     78.6100
   422 CA   SER     65      0.0172     41.7352     63.2100
   428 CA   LEU     66      0.0094     37.5467     51.2800
   436 CA   PRO     67      0.0085     37.0249     44.7500
   443 CA   GLY     68      0.0067     36.0875     50.5800
   447 CA   GLY     69      0.0071     36.2883     37.4700
   451 CA   SER     70      0.0064     35.9169     57.4500
   457 CA   ALA     71      0.0053     35.2955     52.2600
   462 CA   LEU     72      0.0059     35.6168     36.5700
   470 CA   ASN     73      0.0064     35.8955     25.4700
   478 CA   SER     74      0.0057     35.5528     33.9000
   484 CA   VAL     75      0.0054     35.3802     18.8700
   491 CA   ARG     76      0.0066     35.9930     27.8000
   502 CA   VAL     77      0.0074     36.4679     23.9900
   509 CA   VAL     78      0.0080     36.7861     20.2800
   516 CA   GLN     79      0.0089     37.2812     32.7100
   525 CA   LYS     80      0.0137     39.8552     50.1500
   534 CA   LEU     81      0.0142     40.1277     28.3900
   542 CA   LEU     82      0.0205     43.5379     33.7000
   550 CA   ARG     83      0.0289     48.1008     56.8900
   561 CA   LYS     84      0.0327     50.1494     56.2100
   570 CA   PRO     85      0.0314     49.4293     41.3400
   577 CA   GLY     86      0.0192     42.8426     35.7700
   581 CA   SER     87      0.0147     40.4226     40.1900
   587 CA   ALA     88      0.0080     36.7959     36.2800
   592 CA   GLY     89      0.0076     36.5788     33.4000
   596 CA   TYR     90      0.0058     35.5699     37.9000
   608 CA   MET     91      0.0059     35.6419     35.1100
   616 CA   GLY     92      0.0083     36.9394     45.5300
   620 CA   ALA     93      0.0099     37.8014     44.6600
   625 CA   ILE     94      0.0129     39.4142     42.6500
   633 CA   GLY     95      0.0186     42.4926     44.2100
   637 CA   ASP     96      0.0345     51.0956     36.4800
   645 CA   ASP     97      0.0267     46.8711     42.4100
   653 CA   PRO     98      0.0244     45.6240     43.7000
   660 CA   ARG     99      0.0148     40.4699     25.7100
   671 CA   GLY    100      0.0165     41.3744     26.2200
   675 CA   GLN    101      0.0324     49.9708     35.3500
   684 CA   VAL    102      0.0198     43.1838     22.9300
   691 CA   LEU    103      0.0114     38.6279     33.5800
   699 CA   LYS    104      0.0167     41.4711     45.8600
   708 CA   GLU    105      0.0280     47.5706     44.6000
   717 CA   LEU    106      0.0169     41.5829     53.3700
   725 CA   CYS    107      0.0119     38.8924     50.1700
   731 CA   ASP    108      0.0250     45.9507     37.0800
   739 CA   LYS    109      0.0437     56.1085     34.7400
   748 CA   GLU    110      0.0156     40.8625     40.9900
   757 CA   GLY    111      0.0163     41.2408     25.5400
   761 CA   LEU    112      0.0102     37.9692     37.9100
   769 CA   ALA    113      0.0104     38.0720     47.3800
   774 CA   THR    114      0.0082     36.8872     43.7600
   781 CA   ARG    115      0.0099     37.8100     46.8500
   792 CA   PHE    116      0.0100     37.8311     45.6200
   803 CA   MET    117      0.0122     39.0670     57.2300
   811 CA   VAL    118      0.0274     47.2730     41.7100
   818 CA   ALA    119      0.0290     48.1588     40.4000
   823 CA   PRO    120      0.0772     74.2208     47.4400
   830 CA   GLY    121      0.0825     77.0612     63.2700
   834 CA   GLN    122      0.0362     52.0588     70.7400
   843 CA   SER    123      0.0287     47.9939     83.5600
   849 CA   THR    124      0.0138     39.9284     76.9500
   856 CA   GLY    125      0.0117     38.7553     69.5400
   860 CA   THR    126      0.0111     38.4369     42.9400
   867 CA   CYS    127      0.0123     39.1130     27.2000
   873 CA   ALA    128      0.0118     38.8431     28.2700
   878 CA   VAL    129      0.0145     40.3005     29.2200
   885 CA   LEU    130      0.0197     43.1190     24.9500
   893 CA   ILE    131      0.0288     48.0343     35.3000
   901 CA   ASN    132      0.0571     63.3292     69.8400
   909 CA   GLU    133      0.0853     78.5942     92.4300
   918 CA   LYS    134      0.0506     59.8040     67.4200
   927 CA   GLU    135      0.0518     60.4998     59.3400
   936 CA   ARG    136      0.0314     49.4554     40.2200
   947 CA   THR    137      0.0319     49.7063     35.0500
   954 CA   LEU    138      0.0232     45.0059     27.9600
   962 CA   CYS    139      0.0215     44.0536     43.4700
   968 CA   THR    140      0.0208     43.7031     47.9500
   975 CA   HIS    141      0.0203     43.4369     75.0400
   985 CA   LEU    142      0.0168     41.5165     89.2200
   993 CA   GLY    143      0.0208     43.6855     71.2900
   997 CA   ALA    144      0.0173     41.8254     70.0100
  1002 CA   CYS    145      0.0131     39.5474     64.1900
  1008 CA   GLY    146      0.0170     41.6720     73.2500
  1012 CA   SER    147      0.0179     42.1258     71.1900
  1018 CA   PHE    148      0.0138     39.9222     50.8400
  1029 CA   ARG    149      0.0202     43.3843     71.6900
  1040 CA   ILE    150      0.0136     39.7854     86.8400
  1048 CA   PRO    151      0.0187     42.5710     54.2300
  1055 CA   GLU    152      0.0551     62.2626     57.0600
  1064 CA   ASP    153      0.0360     51.9434     59.8500
  1072 CA   TRP    154      0.0145     40.3065     52.5100
  1086 CA   THR    155      0.0162     41.2100     56.1700
  1093 CA   THR    156      0.0257     46.3701     54.0100
  1100 CA   PHE    157      0.0172     41.7476     55.6000
  1111 CA   ALA    158      0.0136     39.8198     59.0800
  1116 CA   SER    159      0.0281     47.6506     58.2100
  1122 CA   GLY    160      0.0204     43.4763     32.7900
  1126 CA   ALA    161      0.0126     39.2605     22.0400
  1131 CA   LEU    162      0.0132     39.5723     25.1500
  1139 CA   ILE    163      0.0073     36.4125     38.5400
  1147 CA   PHE    164      0.0047     34.9680     27.4000
  1158 CA   TYR    165      0.0038     34.5210     29.1900
  1170 CA   ALA    166      0.0051     35.2173     44.9700
  1175 CA   THR    167      0.0065     35.9506     45.9200
  1182 CA   ALA    168      0.0093     37.5019     43.1200
  1187 CA   TYR    169      0.0123     39.1112     22.3600
  1199 CA   THR    170      0.0113     38.5866     26.1700
  1206 CA   LEU    171      0.0137     39.8705     28.2300
  1214 CA   THR    172      0.0189     42.6507     34.4500
  1221 CA   ALA    173      0.0211     43.8543     45.4800
  1226 CA   THR    174      0.0219     44.2700     48.6400
  1233 CA   PRO    175      0.0171     41.7003     26.8500
  1240 CA   LYS    176      0.0210     43.8202     13.3300
  1249 CA   ASN    177      0.0116     38.7355     36.0200
  1257 CA   ALA    178      0.0092     37.4301     36.7200
  1262 CA   LEU    179      0.0112     38.5063     30.5200
  1270 CA   GLU    180      0.0122     39.0498     32.1300
  1279 CA   VAL    181      0.0090     37.3156     24.3000
  1286 CA   ALA    182      0.0098     37.7230     38.8200
  1291 CA   GLY    183      0.0162     41.2062     48.6300
  1295 CA   TYR    184      0.0169     41.5658     57.8600
  1307 CA   ALA    185      0.0136     39.7908     56.1700
  1312 CA   HIS    186      0.0235     45.1715     32.9800
  1322 CA   GLY    187      0.0409     54.5882     49.7800
  1326 CA   ILE    188      0.0492     59.0505     75.0900
  1334 CA   PRO    189      0.0510     60.0435     88.7000
  1341 CA   ASN    190      0.0512     60.1386     60.6700
  1349 CA   ALA    191      0.0168     41.5281     56.0200
  1354 CA   ILE    192      0.0071     36.2774     58.4700
  1362 CA   PHE    193      0.0057     35.5298     39.0700
  1373 CA   THR    194      0.0045     34.8579     28.2700
  1380 CA   LEU    195      0.0053     35.3254     32.6600
  1388 CA   ASN    196      0.0067     36.0700     42.8200
  1396 CA   LEU    197      0.0097     37.6956     27.6400
  1404 CA   SER    198      0.0152     40.6441     30.8500
  1410 CA   ALA    199      0.0237     45.2460     28.3200
  1415 CA   PRO    200      0.0299     48.6177     49.6100
  1422 CA   PHE    201      0.0305     48.9557     55.5800
  1433 CA   CYS    202      0.0197     43.0934     59.4000
  1439 CA   VAL    203      0.0196     43.0716     43.2500
  1446 CA   GLU    204      0.0327     50.1294     51.9300
  1455 CA   LEU    205      0.0371     52.5049     48.6800
  1463 CA   TYR    206      0.0235     45.1490     63.0100
  1475 CA   LYS    207      0.0277     47.4083     68.9600
  1484 CA   ASP    208      0.0533     61.2647     69.6100
  1492 CA   ALA    209      0.0290     48.1441     48.7200
  1497 CA   MET    210      0.0172     41.7674     42.7400
  1505 CA   GLN    211      0.0247     45.8339     42.0400
  1514 CA   SER    212      0.0195     42.9875     53.5000
  1520 CA   LEU    213      0.0128     39.3550     38.2400
  1528 CA   LEU    214      0.0153     40.6997     29.3600
  1536 CA   LEU    215      0.0193     42.8980     44.6600
  1544 CA   HIS    216      0.0120     38.9297     53.1700
  1554 CA   THR    217      0.0087     37.1772     40.1900
  1561 CA   ASN    218      0.0072     36.3252     42.2300
  1569 CA   ILE    219      0.0060     35.6766     52.5200
  1577 CA   LEU    220      0.0057     35.5066     38.3500
  1585 CA   PHE    221      0.0059     35.6490     31.0300
  1596 CA   GLY    222      0.0121     38.9768     53.7300
  1600 CA   ASN    223      0.0182     42.3069     43.1000
  1608 CA   GLU    224      0.0284     47.7953     46.0200
  1617 CA   GLU    225      0.0354     51.5793     53.1700
  1626 CA   GLU    226      0.0233     45.0691     52.5800
  1635 CA   PHE    227      0.0186     42.5277     54.5000
  1646 CA   ALA    228      0.0341     50.9099     44.2300
  1651 CA   HIS    229      0.0333     50.4777     48.8500
  1661 CA   LEU    230      0.0248     45.8825     39.0300
  1669 CA   ALA    231      0.0339     50.8108     39.5700
  1674 CA   LYS    232      0.0513     60.2255     59.5000
  1683 CA   VAL    233      0.0445     56.5135     52.2000
  1690 CA   HIS    234      0.0711     70.9263     70.7700
  1700 CA   ASN    235      0.1478    112.4230     64.6100
  1708 CA   LEU    236      0.1098     91.8473     67.9000
  1716 CA   VAL    237      0.1669    122.7723     80.9200
  1723 CA   ALA    238      0.1654    121.9639     81.4100
  1728 CA   LYS    241      0.0444     56.4916     34.8600
  1733 CA   ALA    243      0.1000     86.5650     54.0700
  1738 CA   LEU    244      0.0354     51.5782     51.3300
  1743 CA   SER    245      0.0217     44.1736     45.8100
  1748 CA   ASN    248      0.0281     47.6527     32.6300
  1753 CA   LYS    249      0.0329     50.2691     48.0300
  1758 CA   GLU    250      0.0968     84.8099     66.2200
  1763 CA   HIS    251      0.0716     71.1827     66.6400
  1768 CA   ALA    252      0.0998     86.4349     66.7700
  1773 CA   VAL    253      0.0559     62.6716     71.3100
  1778 CA   GLU    254      0.0492     59.0423     73.5200
  1783 CA   GLY    270      0.0220     44.3482     92.4500
  1787 CA   ALA    271      0.0136     39.7830     80.0900
  1792 CA   THR    272      0.0159     41.0579     50.1000
  1799 CA   LYS    273      0.0123     39.0913     50.0000
  1808 CA   LEU    274      0.0079     36.7332     52.7200
  1816 CA   VAL    275      0.0088     37.1979     58.4200
  1823 CA   VAL    276      0.0085     37.0325     49.2100
  1830 CA   MET    277      0.0124     39.1647     38.4100
  1838 CA   THR    278      0.0174     41.8384     37.2000
  1845 CA   ARG    279      0.0258     46.4305     63.2700
  1856 CA   GLY    280      0.0645     67.3500     81.1100
  1860 CA   HIS    281      0.0555     62.4674     77.2600
  1870 CA   ASN    282      0.0433     55.8925     36.5900
  1878 CA   PRO    283      0.0282     47.6965     25.1900
  1885 CA   VAL    284      0.0167     41.4954     30.5800
  1892 CA   ILE    285      0.0163     41.2734     22.4000
  1900 CA   ALA    286      0.0135     39.7453     40.9600
  1905 CA   ALA    287      0.0160     41.1248     64.6200
  1910 CA   GLU    288      0.0209     43.7314     56.1300
  1919 CA   GLN    289      0.0271     47.1114     53.6400
  1928 CA   THR    290      0.0820     76.8407     69.5200
  1935 CA   ALA    291      0.1915    136.0699     64.4500
  1940 CA   ASP    292      0.2909    189.8797     75.6000
  1948 CA   GLY    293      0.1839    131.9473     87.3300
  1952 CA   THR    294      0.1127     93.4464     70.2200
  1959 CA   VAL    295      0.0686     69.5423     30.6200
  1966 CA   VAL    296      0.0419     55.1078     52.1600
  1973 CA   VAL    297      0.0339     50.7759     56.6900
  1980 CA   HIS    298      0.0182     42.2827     57.3700
  1990 CA   GLU    299      0.0220     44.3483     48.4500
  1999 CA   VAL    300      0.0204     43.4822     36.0800
  2006 CA   GLY    301      0.0290     48.1162     54.4400
  2010 CA   VAL    302      0.0388     53.4505     37.3700
  2017 CA   PRO    303      0.0654     67.8182     78.5500
  2024 CA   VAL    304      0.0548     62.1179     95.1400
  2031 CA   VAL    305      0.1057     89.6348     96.1600
  2038 CA   ALA    306      0.1019     87.5881     90.4300
  2043 CA   ALA    307      0.1236     99.3375     84.4300
  2048 CA   GLU    308      0.0896     80.9074     87.2400
  2057 CA   LYS    309      0.0512     60.1462     93.9900
  2066 CA   ILE    310      0.0396     53.8809     90.9500
  2074 CA   VAL    311      0.0425     55.4507     71.4900
  2081 CA   ASP    312      0.0296     48.4434     60.5700
  2089 CA   THR    313      0.0509     60.0070     49.2200
  2096 CA   ASN    314      0.0282     47.6872     37.5900
  2104 CA   GLY    315      0.0153     40.7299     34.4900
  2108 CA   ALA    316      0.0137     39.8385     24.4100
  2113 CA   GLY    317      0.0130     39.4782     44.2900
  2117 CA   ASP    318      0.0087     37.1346     16.5700
  2125 CA   ALA    319      0.0081     36.8276     37.0600
  2130 CA   PHE    320      0.0073     36.3775     36.5400
  2141 CA   VAL    321      0.0057     35.5346     27.8300
  2148 CA   GLY    322      0.0067     36.0448     47.5900
  2152 CA   GLY    323      0.0069     36.1885     49.1500
  2156 CA   PHE    324      0.0053     35.3409     43.7800
  2167 CA   LEU    325      0.0053     35.3207     37.8200
  2175 CA   TYR    326      0.0089     37.2866     39.3700
  2187 CA   GLY    327      0.0118     38.8380     34.9500
  2191 CA   LEU    328      0.0097     37.7025     46.8900
  2199 CA   SER    329      0.0135     39.7443     51.3900
  2205 CA   GLN    330      0.0245     45.7126     29.5700
  2214 CA   GLY    331      0.0455     57.0526     33.5000
  2218 CA   LYS    332      0.0196     43.0472     33.1800
  2227 CA   THR    333      0.0202     43.3637     45.0400
  2234 CA   VAL    334      0.0154     40.7894     47.2700
  2241 CA   LYS    335      0.0171     41.7200     34.3800
  2250 CA   GLN    336      0.0192     42.8189     41.8000
  2259 CA   CYS    337      0.0108     38.2957     42.0900
  2265 CA   ILE    338      0.0102     37.9718     35.3700
  2273 CA   MET    339      0.0157     40.9358     49.2400
  2281 CA   CYS    340      0.0112     38.4927     38.0200
  2287 CA   GLY    341      0.0097     37.7192     48.9400
  2291 CA   ASN    342      0.0147     40.3954     39.8700
  2299 CA   ALA    343      0.0170     41.6579     41.7800
  2304 CA   CYS    344      0.0119     38.9114     42.2900
  2310 CA   ALA    345      0.0136     39.8240     33.4700
  2315 CA   GLN    346      0.0204     43.4896     33.0800
  2324 CA   ASP    347      0.0234     45.1306     43.9000
  2332 CA   VAL    348      0.0155     40.8239     44.4600
  2339 CA   ILE    349      0.0192     42.8364     65.3800
  2347 CA   GLN    350      0.0258     46.3943     56.0200
  2356 CA   HIS    351      0.0278     47.4805     88.7000
  2366 CA   VAL    352      0.0184     42.4224     92.6000
  2373 CA   GLY    353      0.0157     40.9282     76.1300
  2377 CA   PHE    354      0.0106     38.2017     70.1400
  2388 CA   SER    355      0.0159     41.0443     55.2400
  2394 CA   LEU    356      0.0311     49.2727     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.