CNRS Nantes University UFIP UFIP
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.


***    ***

B-factor analysis for ID 22102716150789813

Overall B-factor prediction

Correlation= -0.131 for 140 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
     5 CA   MET      1     70.1088     53.6257     64.5200
    22 CA   ASP      2     52.6394     52.9824     65.4400
    34 CA   VAL      3     62.2808     53.3375     64.1800
    50 CA   PHE      4     69.0439     53.5865     61.6200
    70 CA   MET      5     51.6860     52.9473     65.0300
    87 CA   LYS      6     43.6111     52.6499     63.0600
   109 CA   GLY      7     55.9789     53.1054     63.5400
   116 CA   LEU      8     53.9060     53.0291     63.5600
   135 CA   SER      9     37.7983     52.4359     60.9100
   146 CA   LYS     10     38.2846     52.4538     60.3400
   168 CA   ALA     11     47.4788     52.7924     60.8500
   178 CA   LYS     12     39.9973     52.5169     59.1900
   200 CA   GLU     13     29.4845     52.1297     61.4700
   215 CA   GLY     14     35.3052     52.3441     61.0800
   222 CA   VAL     15     38.9297     52.4775     61.0300
   238 CA   VAL     16     29.8731     52.1440     64.3800
   254 CA   ALA     17     25.5971     51.9865     59.2300
   264 CA   ALA     18     31.2458     52.1946     58.6800
   274 CA   ALA     19     31.1787     52.1921     59.0500
   284 CA   GLU     20     24.2365     51.9364     60.5100
   299 CA   LYS     21     23.3613     51.9042     64.0500
   321 CA   THR     22     26.5363     52.0211     59.5800
   335 CA   LYS     23     26.0250     52.0023     58.6600
   357 CA   GLN     24     22.1646     51.8601     60.8200
   374 CA   GLY     25     21.7834     51.8461     60.9200
   381 CA   VAL     26     24.2784     51.9380     61.3700
   397 CA   ALA     27     25.0145     51.9651     62.4100
   407 CA   GLU     28     22.1543     51.8598     60.7400
   422 CA   ALA     29     20.5673     51.8013     60.2300
   432 CA   ALA     30     24.6277     51.9509     58.4600
   442 CA   GLY     31     26.7360     52.0285     63.7700
   449 CA   LYS     32     22.6406     51.8777     66.9200
   471 CA   THR     33     21.5384     51.8371     65.1200
   485 CA   LYS     34     29.9980     52.1486     65.6300
   507 CA   GLU     35     31.2248     52.1938     67.5100
   522 CA   GLY     36     23.3989     51.9056     70.3600
   529 CA   VAL     37     27.0226     52.0390     71.6500
   545 CA   LEU     38     38.4937     52.4615     72.6500
   564 CA   TYR     39     34.8911     52.3288     73.4800
   585 CA   VAL     40     26.7487     52.0290     73.8100
   601 CA   GLY     41     37.7474     52.4340     70.8900
   608 CA   SER     42     49.7618     52.8764     67.5000
   619 CA   LYS     43     40.4947     52.5352     65.4700
   641 CA   THR     44     35.8728     52.3650     65.6600
   655 CA   LYS     45     55.4198     53.0848     62.8300
   677 CA   GLU     46     62.0607     53.3294     61.6700
   692 CA   GLY     47     45.0871     52.7043     62.6700
   699 CA   VAL     48     48.6262     52.8346     62.7800
   715 CA   VAL     49     72.7775     53.7240     60.2200
   731 CA   HIS     50     69.8495     53.6162     57.9200
   748 CA   GLY     51     50.3312     52.8974     59.8500
   755 CA   VAL     52     64.6878     53.4261     59.0300
   771 CA   ALA     53     86.9788     54.2470     60.2000
   781 CA   THR     54     71.9223     53.6925     59.9200
   795 CA   VAL     55     58.6991     53.2056     59.1100
   811 CA   ALA     56     84.7154     54.1637     56.7100
   821 CA   GLU     57     97.0132     54.6165     58.2600
   836 CA   LYS     58     72.0085     53.6957     57.1500
   858 CA   THR     59     69.6106     53.6074     55.7100
   872 CA   LYS     60     99.5269     54.7091     54.5600
   894 CA   GLU     61     96.8192     54.6094     57.3900
   909 CA   GLN     62     67.7930     53.5405     51.7500
   926 CA   VAL     63     72.4287     53.7112     50.6600
   942 CA   THR     64     98.1067     54.6568     55.5900
   956 CA   ASN     65     84.1538     54.1430     54.7100
   970 CA   VAL     66     57.9180     53.1768     53.6600
   986 CA   GLY     67     71.5677     53.6795     52.7500
   993 CA   GLY     68     86.0047     54.2111     55.2000
  1000 CA   ALA     69     63.1896     53.3709     58.0000
  1010 CA   VAL     70     48.5867     52.8332     55.4900
  1026 CA   VAL     71     67.2997     53.5223     55.8700
  1042 CA   THR     72     69.8521     53.6163     59.7900
  1056 CA   GLY     73     46.1354     52.7429     57.5300
  1063 CA   VAL     74     43.4534     52.6441     58.1700
  1079 CA   THR     75     59.4602     53.2336     59.0400
  1093 CA   ALA     76     51.1432     52.9273     58.3600
  1103 CA   VAL     77     32.8799     52.2547     57.1700
  1119 CA   ALA     78     39.8210     52.5104     56.8900
  1129 CA   GLN     79     48.1395     52.8167     53.5900
  1146 CA   LYS     80     35.4479     52.3493     54.6000
  1168 CA   THR     81     25.2931     51.9754     56.0700
  1182 CA   VAL     82     33.1876     52.2661     50.9800
  1198 CA   GLU     83     35.7094     52.3589     52.6900
  1213 CA   GLY     84     25.0423     51.9661     54.1700
  1220 CA   ALA     85     19.7221     51.7702     50.6400
  1230 CA   GLY     86     24.5097     51.9465     50.6400
  1237 CA   SER     87     27.7429     52.0656     57.2800
  1248 CA   ILE     88     21.4540     51.8340     52.3800
  1267 CA   ALA     89     17.8725     51.7021     52.6400
  1277 CA   ALA     90     23.2986     51.9019     52.1000
  1287 CA   ALA     91     30.6928     52.1742     52.7100
  1297 CA   THR     92     27.9570     52.0735     54.2700
  1311 CA   GLY     93     25.0576     51.9667     51.3500
  1318 CA   PHE     94     23.5287     51.9104     47.0200
  1338 CA   VAL     95     19.0587     51.7458     48.0600
  1354 CA   LYS     96     27.0265     52.0392     50.7500
  1376 CA   LYS     97     26.0920     52.0048     53.4000
  1398 CA   ASP     98     41.0527     52.5557     43.2300
  1410 CA   GLN     99     53.9278     53.0299     45.0100
  1427 CA   LEU    100     60.6959     53.2791     39.2200
  1446 CA   GLY    101     64.1698     53.4070     38.0100
  1453 CA   LYS    102     58.0806     53.1828     36.7000
  1475 CA   ASN    103     46.6970     52.7636     39.5800
  1489 CA   GLU    104     36.4178     52.3850     41.0700
  1504 CA   GLU    105     28.3381     52.0875     38.9700
  1519 CA   GLY    106     25.0461     51.9663     33.7400
  1526 CA   ALA    107     24.9737     51.9636     40.9400
  1535 CA   PRO    108     31.7947     52.2148     44.2400
  1550 CA   GLN    109     38.4375     52.4594     36.7700
  1567 CA   GLU    110     50.5436     52.9052     39.4000
  1582 CA   GLY    111     64.8195     53.4310     36.8300
  1589 CA   ILE    112     73.4479     53.7487     38.8800
  1608 CA   LEU    113     74.5054     53.7877     45.2000
  1627 CA   GLU    114     78.8792     53.9487     39.8500
  1642 CA   ASP    115     77.9492     53.9145     45.3400
  1654 CA   MET    116     71.9552     53.6937     51.1400
  1670 CA   PRO    117     66.5152     53.4934     43.4800
  1685 CA   VAL    118     81.8007     54.0563     52.9800
  1701 CA   ASP    119     94.7942     54.5348     54.6100
  1712 CA   PRO    120    116.2114     55.3235     54.3000
  1727 CA   ASP    121    140.0880     56.2028     44.6100
  1739 CA   ASN    122    148.7372     56.5213     52.6400
  1753 CA   GLU    123    187.4874     57.9484     46.1600
  1768 CA   ALA    124    209.3493     58.7535     52.7600
  1778 CA   TYR    125    247.3659     60.1535     49.4600
  1799 CA   GLU    126    277.7543     61.2726     55.5100
  1814 CA   MET    127    318.1753     62.7611     55.5200
  1830 CA   PRO    128    366.4045     64.5372     48.8700
  1845 CA   SER    129    421.3947     66.5623     49.5900
  1856 CA   GLU    130    466.0879     68.2082     51.2700
  1871 CA   GLU    131    530.6565     70.5860     54.4700
  1886 CA   GLY    132    582.5957     72.4987     49.4300
  1893 CA   TYR    133    607.7768     73.4261     53.1200
  1914 CA   GLN    134    700.9351     76.8567     49.8300
  1931 CA   ASP    135    806.0700     80.7285     53.9200
  1943 CA   TYR    136    867.7576     83.0002     56.6500
  1964 CA   GLU    137    957.9150     86.3203     62.0800
  1978 CA   PRO    138   1071.3493     90.4977     55.4200
  1993 CA   GLU    139   1190.5712     94.8882     48.1800
  2008 CA   ALA    140   1272.6873     97.9122     48.3900

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.