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***  TRANSFERASE/TRANSFERASE INHIBITOR 02-AUG-16 5L2T  ***

B-factor analysis for ID 260928132318434842

Overall B-factor prediction

Correlation= 0.732 for 261 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   GLN     11      0.1360     97.5823     91.6500
    11 CA   GLN     12      0.0816     79.2072     84.5500
    20 CA   TYR     13      0.0503     68.6086     75.5500
    32 CA   GLU     14      0.0699     75.2522     76.5400
    41 CA   CYS     15      0.0601     71.9208     75.0100
    47 CA   VAL     16      0.0762     77.3901     71.0600
    54 CA   ALA     17      0.0892     81.7831     69.6900
    59 CA   GLU     18      0.0849     80.3043     73.1800
    68 CA   ILE     19      0.0808     78.9154     77.1600
    76 CA   GLY     20      0.1398     98.8819     86.5400
    80 CA   GLU     21      0.1650    107.4039     95.1900
    89 CA   GLY     22      0.1592    105.4283    100.3300
    93 CA   ALA     23      0.2244    127.4594    101.8700
    98 CA   TYR     24      0.1171     91.1867     99.0100
   103 CA   GLY     25      0.0998     85.3578     90.2600
   107 CA   LYS     26      0.0742     76.7157     80.5000
   116 CA   VAL     27      0.0473     67.5893     70.3000
   123 CA   PHE     28      0.0434     66.2840     67.7200
   134 CA   LYS     29      0.0377     64.3569     61.8700
   143 CA   ALA     30      0.0344     63.2465     59.1600
   148 CA   ARG     31      0.0486     68.0587     60.0700
   159 CA   ASP     32      0.0440     66.4797     63.5500
   167 CA   LEU     33      0.0820     79.3488     69.7700
   175 CA   LYS     34      0.1077     88.0408     66.7300
   184 CA   ASN     35      0.0961     84.0921     62.8600
   192 CA   GLY     36      0.1363     97.7010     56.8500
   196 CA   GLY     37      0.0791     78.3705     54.1900
   200 CA   ARG     38      0.0615     72.3954     55.2700
   211 CA   PHE     39      0.0335     62.9282     53.8400
   222 CA   VAL     40      0.0195     58.2177     60.0000
   229 CA   ALA     41      0.0186     57.9166     58.3900
   234 CA   LEU     42      0.0208     58.6319     64.5300
   242 CA   LYS     43      0.0302     61.8149     72.0000
   251 CA   ARG     44      0.0417     65.7106     86.4400
   262 CA   VAL     45      0.0799     78.6249     98.4700
   267 CA   ARG     46      0.1898    115.7719    105.4500
   272 CA   VAL     47      0.3770    179.0633    128.4500
   277 CA   SER     57      0.1713    109.5286     90.0100
   283 CA   THR     58      0.0970     84.4108     86.1200
   290 CA   ILE     59      0.1083     88.2265     80.4700
   298 CA   ARG     60      0.0911     82.4117     68.2100
   309 CA   GLU     61      0.0457     67.0767     59.0300
   318 CA   VAL     62      0.0346     63.3008     57.1200
   325 CA   ALA     63      0.0390     64.8138     56.7300
   330 CA   VAL     64      0.0307     61.9821     53.8000
   337 CA   LEU     65      0.0189     58.0043     56.0200
   345 CA   ARG     66      0.0199     58.3383     54.6500
   356 CA   HIS     67      0.0280     61.0745     53.1200
   366 CA   LEU     68      0.0173     57.4639     54.6200
   374 CA   GLU     69      0.0169     57.3148     54.3800
   383 CA   THR     70      0.0292     61.4844     53.9300
   390 CA   PHE     71      0.0252     60.1413     53.2900
   401 CA   GLU     72      0.0220     59.0685     55.0800
   410 CA   HIS     73      0.0136     56.2230     47.3600
   420 CA   PRO     74      0.0144     56.4895     52.3300
   427 CA   ASN     75      0.0101     55.0265     51.2700
   435 CA   VAL     76      0.0102     55.0516     46.0000
   442 CA   VAL     77      0.0107     55.2227     46.2400
   449 CA   ARG     78      0.0114     55.4631     53.1700
   460 CA   LEU     79      0.0127     55.9145     54.5200
   468 CA   PHE     80      0.0146     56.5666     61.2800
   479 CA   ASP     81      0.0217     58.9432     71.4600
   487 CA   VAL     82      0.0267     60.6468     81.0000
   494 CA   CYS     83      0.0522     69.2564     92.3600
   500 CA   THR     84      0.1431    100.0018    136.2600
   507 CA   LYS     93      0.1282     94.9464     90.3800
   516 CA   LEU     94      0.0629     72.8647     84.4700
   524 CA   THR     95      0.0316     62.3015     72.0000
   531 CA   LEU     96      0.0196     58.2517     63.4400
   539 CA   VAL     97      0.0117     55.5823     52.8700
   546 CA   PHE     98      0.0106     55.1857     49.8000
   557 CA   GLU     99      0.0131     56.0428     45.8900
   566 CA   HIS    100      0.0168     57.2942     50.6200
   576 CA   VAL    101      0.0182     57.7587     49.9200
   583 CA   ASP    102      0.0338     63.0245     62.4800
   591 CA   GLN    103      0.0201     58.4114     60.2800
   600 CA   ASP    104      0.0176     57.5670     56.8400
   608 CA   LEU    105      0.0139     56.2979     53.6300
   616 CA   THR    106      0.0191     58.0711     60.9200
   623 CA   THR    107      0.0276     60.9420     63.7600
   630 CA   TYR    108      0.0205     58.5313     61.7100
   642 CA   LEU    109      0.0196     58.2492     63.1700
   650 CA   ASP    110      0.0378     64.3776     64.2800
   658 CA   LYS    111      0.0553     70.3208     67.5000
   667 CA   VAL    112      0.0429     66.1154     71.0300
   674 CA   PRO    113      0.0952     83.8132     80.5000
   681 CA   GLU    114      0.1010     85.7494     85.4300
   690 CA   PRO    115      0.0901     82.0907     85.5800
   697 CA   GLY    116      0.0392     64.8502     81.3300
   701 CA   VAL    117      0.0228     59.3101     71.6100
   708 CA   PRO    118      0.0368     64.0439     67.4800
   715 CA   THR    119      0.0317     62.3321     70.4100
   722 CA   GLU    120      0.0299     61.7099     70.2100
   731 CA   THR    121      0.0194     58.1653     65.6500
   738 CA   ILE    122      0.0112     55.4146     64.8700
   746 CA   LYS    123      0.0119     55.6442     63.2600
   755 CA   ASP    124      0.0129     55.9838     61.3800
   763 CA   MET    125      0.0092     54.7341     57.1300
   771 CA   MET    126      0.0076     54.1911     56.9500
   779 CA   PHE    127      0.0092     54.7171     52.0800
   790 CA   GLN    128      0.0102     55.0735     48.7600
   799 CA   LEU    129      0.0079     54.2762     55.4400
   807 CA   LEU    130      0.0077     54.2314     50.7200
   815 CA   ARG    131      0.0106     55.1938     51.0500
   826 CA   GLY    132      0.0098     54.9342     51.1800
   830 CA   LEU    133      0.0099     54.9655     49.2000
   838 CA   ASP    134      0.0120     55.6675     49.0900
   846 CA   PHE    135      0.0136     56.2211     47.3000
   857 CA   LEU    136      0.0124     55.7998     48.6000
   865 CA   HIS    137      0.0138     56.2633     50.3700
   875 CA   SER    138      0.0208     58.6387     51.0300
   881 CA   HIS    139      0.0259     60.3802     47.6400
   891 CA   ARG    140      0.0407     65.3610     56.7300
   902 CA   VAL    141      0.0150     56.6974     49.4900
   909 CA   VAL    142      0.0143     56.4362     46.6800
   916 CA   HIS    143      0.0117     55.5784     43.6600
   926 CA   ARG    144      0.0124     55.8055     48.3500
   937 CA   ASP    145      0.0121     55.7059     48.7600
   945 CA   LEU    146      0.0096     54.8759     48.9400
   953 CA   LYS    147      0.0110     55.3476     50.7000
   962 CA   PRO    148      0.0119     55.6234     53.6800
   969 CA   GLN    149      0.0139     56.3060     51.7800
   978 CA   ASN    150      0.0125     55.8566     50.8200
   986 CA   ILE    151      0.0102     55.0607     46.8500
   994 CA   LEU    152      0.0109     55.3067     50.8200
  1002 CA   VAL    153      0.0142     56.3990     53.3900
  1009 CA   THR    154      0.0192     58.1049     54.7300
  1016 CA   SER    155      0.1199     92.1415     55.8000
  1022 CA   SER    156      0.1142     90.2097     57.8500
  1028 CA   GLY    157      0.0252     60.1458     55.6700
  1032 CA   GLN    158      0.0164     57.1653     52.8300
  1041 CA   ILE    159      0.0101     55.0366     54.7900
  1049 CA   LYS    160      0.0098     54.9151     48.2600
  1058 CA   LEU    161      0.0087     54.5465     46.1700
  1066 CA   ALA    162      0.0101     55.0257     46.1000
  1071 CA   ASP    163      0.0120     55.6698     50.5400
  1079 CA   PHE    164      0.0120     55.6854     54.7100
  1090 CA   GLY    165      0.0239     59.7011     70.9900
  1094 CA   LEU    166      0.0318     62.3537     78.3800
  1102 CA   ALA    167      0.1887    115.4085    107.9000
  1107 CA   VAL    181      0.1179     91.4758     76.6300
  1112 CA   THR    182      0.0328     62.6872     69.5600
  1119 CA   LEU    183      0.0203     58.4793     58.9300
  1127 CA   TRP    184      0.0146     56.5400     53.7300
  1141 CA   TYR    185      0.0088     54.5950     51.3500
  1153 CA   ARG    186      0.0104     55.1304     48.9700
  1164 CA   ALA    187      0.0092     54.7245     46.9600
  1169 CA   PRO    188      0.0099     54.9474     52.1800
  1176 CA   GLU    189      0.0142     56.4264     49.0400
  1185 CA   VAL    190      0.0185     57.8532     51.0300
  1192 CA   LEU    191      0.0191     58.0608     52.3900
  1200 CA   LEU    192      0.0213     58.8042     55.7800
  1208 CA   GLN    193      0.0399     65.1074     62.3600
  1217 CA   SER    194      0.0376     64.3407     63.5600
  1223 CA   SER    195      0.0301     61.7963     67.9900
  1229 CA   TYR    196      0.0278     61.0119     67.3300
  1241 CA   ALA    197      0.0203     58.4704     56.2900
  1246 CA   THR    198      0.0136     56.2166     48.5200
  1253 CA   PRO    199      0.0108     55.2530     47.3100
  1260 CA   VAL    200      0.0099     54.9720     46.9800
  1267 CA   ASP    201      0.0083     54.4258     46.0600
  1275 CA   LEU    202      0.0070     53.9925     46.3100
  1283 CA   TRP    203      0.0057     53.5561     48.2200
  1297 CA   SER    204      0.0070     53.9866     46.5700
  1303 CA   VAL    205      0.0060     53.6413     52.2600
  1310 CA   GLY    206      0.0052     53.3566     52.1400
  1314 CA   CYS    207      0.0060     53.6485     51.6700
  1320 CA   ILE    208      0.0065     53.8084     52.2000
  1328 CA   PHE    209      0.0069     53.9372     51.1600
  1339 CA   ALA    210      0.0070     53.9971     55.6200
  1344 CA   GLU    211      0.0086     54.5096     54.1700
  1353 CA   MET    212      0.0081     54.3537     59.7800
  1361 CA   PHE    213      0.0112     55.4096     61.3700
  1372 CA   ARG    214      0.0132     56.0632     65.2800
  1383 CA   ARG    215      0.0163     57.1115     64.9700
  1394 CA   LYS    216      0.0204     58.4961     61.7200
  1403 CA   PRO    217      0.0133     56.0983     54.1300
  1410 CA   LEU    218      0.0102     55.0600     60.7000
  1418 CA   PHE    219      0.0128     55.9527     61.7900
  1429 CA   ARG    220      0.0219     59.0194     68.4700
  1440 CA   GLY    221      0.0248     60.0091     68.6200
  1444 CA   SER    222      0.0466     67.3587     64.8600
  1450 CA   SER    223      0.0434     66.2765     56.8100
  1456 CA   ASP    224      0.0321     62.4765     56.6100
  1464 CA   VAL    225      0.0378     64.3789     60.3400
  1471 CA   ASP    226      0.0325     62.6185     59.4400
  1479 CA   GLN    227      0.0161     57.0717     57.4900
  1488 CA   LEU    228      0.0140     56.3560     57.7000
  1496 CA   GLY    229      0.0206     58.5827     60.5000
  1500 CA   LYS    230      0.0185     57.8547     61.5500
  1509 CA   ILE    231      0.0118     55.6060     61.0500
  1517 CA   LEU    232      0.0142     56.4261     61.7000
  1525 CA   ASP    233      0.0211     58.7605     68.1300
  1533 CA   VAL    234      0.0186     57.8864     68.4600
  1540 CA   ILE    235      0.0156     56.8744     68.4200
  1548 CA   GLY    236      0.0231     59.4391     69.6900
  1552 CA   LEU    237      0.0266     60.6152     69.5600
  1560 CA   PRO    238      0.0277     60.9762     69.7000
  1567 CA   GLY    239      0.0528     69.4761     70.6800
  1571 CA   GLU    240      0.0531     69.5672     68.3300
  1580 CA   GLU    241      0.0607     72.1482     69.2200
  1589 CA   ASP    242      0.0340     63.0978     64.4700
  1597 CA   TRP    243      0.0282     61.1578     58.4500
  1611 CA   PRO    244      0.0345     63.2643     62.6800
  1618 CA   ARG    245      0.0830     79.6791     73.6700
  1629 CA   ASP    246      0.1342     96.9945     81.0200
  1637 CA   VAL    247      0.0541     69.8897     76.7700
  1644 CA   ALA    248      0.0749     76.9219     71.6900
  1649 CA   LEU    249      0.0396     65.0122     67.4500
  1657 CA   PRO    250      0.0427     66.0553     67.7100
  1664 CA   ARG    251      0.0357     63.6729     65.8500
  1675 CA   GLN    252      0.0563     70.6393     67.6700
  1684 CA   ALA    253      0.0476     67.7168     65.0700
  1689 CA   PHE    254      0.0369     64.0903     69.7900
  1700 CA   HIS    255      0.0627     72.8007     81.5500
  1710 CA   SER    256      0.0401     65.1721     87.6100
  1716 CA   LYS    257      0.0854     80.4700     92.5000
  1725 CA   SER    258      0.0653     73.7007     92.7400
  1731 CA   ALA    259      0.0422     65.8895     90.0400
  1736 CA   GLN    260      0.0380     64.4466     88.6300
  1745 CA   PRO    261      0.0333     62.8797     86.2400
  1752 CA   ILE    262      0.0193     58.1429     84.1700
  1760 CA   GLU    263      0.0296     61.6274     81.0200
  1769 CA   LYS    264      0.0371     64.1517     81.2700
  1778 CA   PHE    265      0.0197     58.2899     77.8500
  1789 CA   VAL    266      0.0163     57.1370     77.5500
  1796 CA   THR    267      0.0275     60.9258     83.4500
  1803 CA   ASP    268      0.0317     62.3184     80.8000
  1811 CA   ILE    269      0.0188     57.9608     76.9100
  1819 CA   ASP    270      0.0225     59.2070     77.3200
  1827 CA   GLU    271      0.0443     66.6054     76.6900
  1836 CA   LEU    272      0.0206     58.5838     72.7000
  1844 CA   GLY    273      0.0137     56.2481     71.5100
  1848 CA   LYS    274      0.0149     56.6388     72.0500
  1857 CA   ASP    275      0.0158     56.9437     69.8200
  1865 CA   LEU    276      0.0103     55.0998     66.4100
  1873 CA   LEU    277      0.0075     54.1577     59.7200
  1881 CA   LEU    278      0.0098     54.9143     58.5300
  1889 CA   LYS    279      0.0093     54.7640     59.1800
  1898 CA   CYS    280      0.0067     53.8777     55.8000
  1904 CA   LEU    281      0.0061     53.6643     57.7100
  1912 CA   THR    282      0.0081     54.3686     57.8800
  1919 CA   PHE    283      0.0106     55.1895     56.2100
  1930 CA   ASN    284      0.0148     56.6075     55.2400
  1938 CA   PRO    285      0.0134     56.1429     54.1900
  1945 CA   ALA    286      0.0307     61.9881     57.6200
  1950 CA   LYS    287      0.0273     60.8451     59.6700
  1959 CA   ARG    288      0.0127     55.9004     55.9000
  1970 CA   ILE    289      0.0115     55.5045     54.1500
  1978 CA   SER    290      0.0126     55.8678     51.2500
  1984 CA   ALA    291      0.0130     55.9985     50.0800
  1989 CA   TYR    292      0.0239     59.7000     55.0700
  2001 CA   SER    293      0.0198     58.2947     54.2200
  2007 CA   ALA    294      0.0123     55.7853     56.7800
  2012 CA   LEU    295      0.0130     56.0111     58.7000
  2020 CA   SER    296      0.0210     58.7174     64.3400
  2026 CA   HIS    297      0.0197     58.2679     65.6800
  2036 CA   PRO    298      0.0241     59.7763     70.1700
  2043 CA   TYR    299      0.0148     56.6177     69.7900
  2055 CA   PHE    300      0.0175     57.5158     73.7800
  2066 CA   GLN    301      0.0973     84.5163     85.4300

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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.