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B-factor analysis for ID 2401141629061066981

Overall B-factor prediction

Correlation= 0.333 for 111 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   GLU    170      0.1106     67.1101     17.1600
    19 CA   ILE    171      0.0475     36.9983     15.3400
    38 CA   LEU    172      0.0211     24.3770     13.1900
    57 CA   HIS    173      0.0276     27.4770     11.7000
    74 CA   PHE    174      0.0116     19.8025     12.9900
    94 CA   HIS    175      0.0250     26.2438     13.3000
   111 CA   TYR    176      0.0075     17.8653     15.4100
   132 CA   THR    177      0.0262     26.8048     26.1200
   146 CA   THR    178      0.0117     19.8601     27.2800
   160 CA   TRP    179      0.0042     16.2687     19.1100
   184 CA   PRO    180      0.0086     18.3915     19.3000
   198 CA   ASP    181      0.0091     18.6246     20.0900
   210 CA   PHE    182      0.0070     17.6397     19.1300
   230 CA   GLY    183      0.0045     16.4196     18.6400
   237 CA   VAL    184      0.0028     15.6354     17.6500
   253 CA   PRO    185      0.0029     15.6480     18.8100
   267 CA   GLU    186      0.0090     18.5822     20.0600
   282 CA   SER    187      0.0063     17.2888     19.2900
   293 CA   PRO    188      0.0036     15.9916     19.7800
   307 CA   ALA    189      0.0063     17.2750     18.9800
   317 CA   SER    190      0.0057     17.0004     19.0400
   318 CA   SER    190      0.0057     16.9972     18.9900
   335 CA   PHE    191      0.0023     15.3782     16.7900
   355 CA   LEU    192      0.0032     15.8056     20.7100
   374 CA   ASN    193      0.0068     17.5305     18.6000
   388 CA   PHE    194      0.0038     16.0757     16.4100
   408 CA   LEU    195      0.0029     15.6679     16.9000
   427 CA   PHE    196      0.0061     17.2065     22.5500
   447 CA   LYS    197      0.0071     17.6893     19.2000
   457 CA   VAL    198      0.0044     16.3765     18.1300
   473 CA   ASN    199      0.0060     17.1289     16.7700
   487 CA   GLU    200      0.0212     24.4256     19.6900
   502 CA   SER    201      0.0123     20.1300     22.8400
   513 CA   GLY    202      0.0205     24.0596     26.7200
   520 CA   SER    203      0.0102     19.1520     25.0200
   531 CA   LEU    204      0.0113     19.6739     27.9800
   550 CA   SER    205      0.0416     34.1421     24.8700
   561 CA   PRO    206      0.0921     58.2941     40.8400
   575 CA   GLU    207      0.0940     59.2043     38.2300
   590 CA   HIS    208      0.0527     39.4778     19.8500
   607 CA   GLY    209      0.0924     58.4246     14.4500
   614 CA   PRO    210      0.0544     40.2859     14.7300
   628 CA   VAL    211      0.0138     20.8800     13.1900
   644 CA   VAL    212      0.0210     24.3131     12.0200
   660 CA   VAL    213      0.0108     19.4587     11.2300
   676 CA   HIS    214      0.0117     19.8593     10.9100
   693 CA   CYS    215      0.0080     18.0920     11.7400
   704 CA   SER    216      0.0171     22.4543     11.4000
   715 CA   ALA    217      0.0112     19.6254     14.2400
   725 CA   GLY    218      0.0070     17.6193     12.3500
   732 CA   ILE    219      0.0041     16.2255     12.5700
   751 CA   GLY    220      0.0025     15.4699     15.0700
   758 CA   ARG    221      0.0023     15.3915     13.5800
   782 CA   SER    222      0.0028     15.6236     12.9300
   793 CA   GLY    223      0.0018     15.1568     12.8300
   800 CA   THR    224      0.0013     14.9052     15.5500
   814 CA   TYR    225      0.0017     15.0669     15.7100
   835 CA   CYS    226      0.0023     15.3783     16.2100
   836 CA   CYS    226      0.0023     15.3744     16.2600
   853 CA   LEU    227      0.0018     15.1414     15.2600
   872 CA   ALA    228      0.0016     15.0418     17.0900
   882 CA   ASP    229      0.0024     15.4129     15.5700
   894 CA   THR    230      0.0033     15.8686     16.1900
   908 CA   CYS    231      0.0026     15.5047     18.8500
   919 CA   LEU    232      0.0034     15.9016     22.1100
   938 CA   LEU    233      0.0076     17.9245     21.7400
   957 CA   LEU    234      0.0063     17.3073     24.2000
   976 CA   MET    235      0.0078     17.9811     30.8600
   993 CA   ASP    236      0.0192     23.4327     49.2100
  1005 CA   LYS    237      0.0230     25.2612     43.8900
  1027 CA   ARG    238      0.0180     22.8856     47.4600
  1051 CA   LYS    239      0.0615     43.6668     54.4500
  1061 CA   ASP    240      0.0375     32.1996     53.6500
  1073 CA   PRO    241      0.0169     22.3678     49.2600
  1087 CA   SER    242      0.0341     30.5845     55.3100
  1098 CA   SER    243      0.0243     25.8697     41.1400
  1109 CA   VAL    244      0.0073     17.7664     29.2300
  1125 CA   ASP    245      0.0089     18.5333     24.2000
  1137 CA   ILE    246      0.0028     15.6068     21.8000
  1156 CA   LYS    247      0.0050     16.6439     20.3800
  1178 CA   LYS    248      0.0068     17.5127     21.2500
  1188 CA   VAL    249      0.0036     15.9939     17.5500
  1204 CA   LEU    250      0.0029     15.6461     17.1100
  1223 CA   LEU    251      0.0070     17.5995     16.1900
  1242 CA   GLU    252      0.0087     18.4419     16.5600
  1258 CA   MET    253      0.0052     16.7597     15.9100
  1259 CA   MET    253      0.0052     16.7403     16.0200
  1291 CA   ARG    254      0.0061     17.2026     14.6700
  1315 CA   LYS    255      0.0186     23.1742     13.5800
  1337 CA   PHE    256      0.0233     25.4202     13.6000
  1357 CA   ARG    257      0.0116     19.7998     13.2600
  1381 CA   MET    258      0.0115     19.7503     13.3200
  1398 CA   GLY    259      0.0057     17.0196     14.6200
  1405 CA   LEU    260      0.0029     15.6797     16.4900
  1424 CA   ILE    261      0.0019     15.1631     15.2300
  1443 CA   GLN    262      0.0040     16.1722     15.6800
  1460 CA   THR    263      0.0054     16.8686     15.9300
  1474 CA   ALA    264      0.0123     20.1669     18.9900
  1484 CA   ASP    265      0.0053     16.7965     21.1800
  1496 CA   GLN    266      0.0021     15.2585     16.3600
  1513 CA   LEU    267      0.0023     15.3608     18.9300
  1532 CA   ARG    268      0.0042     16.3053     22.2100
  1556 CA   PHE    269      0.0020     15.2223     21.0600
  1576 CA   SER    270      0.0016     15.0288     18.0700
  1577 CA   SER    270      0.0016     15.0287     18.0700
  1594 CA   TYR    271      0.0029     15.6686     27.2900
  1615 CA   LEU    272      0.0038     16.1119     22.2600
  1634 CA   ALA    273      0.0022     15.3250     19.0400
  1644 CA   VAL    274      0.0025     15.4922     24.1800
  1660 CA   ILE    275      0.0090     18.5897     24.1400
  1679 CA   GLU    276      0.0088     18.4741     28.9700

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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: April 25th, 2023.