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 22010101172418520

Overall B-factor prediction

Correlation= 0.020 for 170 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   MET      1      0.1499    490.3562    115.9100
    10 CA   ARG      2      0.0512    186.6777    101.7200
    21 CA   LEU      3      0.0450    167.8441    151.4400
    29 CA   GLN      4      0.0548    197.8510    228.6900
    38 CA   GLY      5      0.0505    184.7035    227.4100
    42 CA   ALA      6      0.0236    101.9095     75.1200
    47 CA   ILE      7      0.0195     89.2595     93.9400
    55 CA   PHE      8      0.0398    151.6658    102.7000
    66 CA   VAL      9      0.0273    113.1488     99.1200
    73 CA   LEU     10      0.0131     69.6621    117.5700
    81 CA   LEU     11      0.0216     95.7477     67.4100
    89 CA   PRO     12      0.0420    158.4461     95.2000
    96 CA   HIS     13      0.0198     90.1163     98.0100
   106 CA   LEU     14      0.0179     84.3126    151.4400
   114 CA   GLY     15      0.0245    104.7841    175.3300
   118 CA   PRO     16      0.0182     85.4031    134.8200
   125 CA   ILE     17      0.0209     93.7057     98.5400
   133 CA   LEU     18      0.0290    118.6126     87.7000
   141 CA   VAL     19      0.0188     87.2259     35.3100
   148 CA   TRP     20      0.0181     85.0433    135.1000
   162 CA   LEU     21      0.0264    110.4639     93.2200
   170 CA   PHE     22      0.0341    134.3040     54.1500
   181 CA   THR     23      0.0198     90.1914    114.1500
   188 CA   ARG     24      0.0224     98.2791    131.4400
   199 CA   ASP     25      0.0211     94.0595    112.8800
   207 CA   HIS     26      0.0317    126.8552     66.4400
   217 CA   MET     27      0.0509    185.8707     78.2500
   225 CA   SER     28      0.0335    132.2002    196.4400
   231 CA   GLY     29      0.0576    206.5804    166.6900
   235 CA   TRP     30      0.0303    122.5545     81.8000
   249 CA   CYS     31      0.0225     98.3485     98.8300
   255 CA   GLU     32      0.0378    145.4320    161.4900
   264 CA   GLY     33      0.0469    173.5158    180.4900
   268 CA   PRO     34      0.0259    109.0147    152.9700
   275 CA   ARG     35      0.0294    119.6614    120.3000
   286 CA   MET     36      0.0218     96.3042     57.7000
   294 CA   LEU     37      0.0313    125.5453    107.9000
   302 CA   SER     38      0.0846    289.6001     37.5000
   308 CA   TRP     39      0.0671    235.5615     99.4800
   322 CA   CYS     40      0.0391    149.5177    106.5800
   328 CA   PRO     41      0.0454    168.9897     72.8300
   335 CA   PHE     42      0.0590    210.8373    145.0700
   346 CA   TYR     43      0.0324    129.0204    109.5900
   358 CA   LYS     44      0.0460    170.6613     90.0800
   367 CA   VAL     45      0.0343    134.8247     36.1800
   374 CA   LEU     46      0.0231    100.2771     48.6800
   382 CA   LEU     47      0.0255    107.6800     77.4400
   390 CA   LEU     48      0.0354    138.2005     37.2700
   398 CA   VAL     49      0.0244    104.3935     85.9100
   405 CA   GLN     50      0.0208     93.2979     54.0700
   414 CA   THR     51      0.0253    107.1804     98.9300
   421 CA   ALA     52      0.0362    140.5523     30.0500
   426 CA   ILE     53      0.0171     81.7798    103.4100
   434 CA   TYR     54      0.0147     74.4304     65.5500
   446 CA   SER     55      0.0173     82.4713     33.3100
   452 CA   VAL     56      0.0144     73.6544     52.4100
   459 CA   VAL     57      0.0084     54.9988    103.8700
   466 CA   GLY     58      0.0093     57.7221     29.8700
   470 CA   TYR     59      0.0127     68.3489     41.2500
   482 CA   ALA     60      0.0081     54.0477     44.6100
   487 CA   SER     61      0.0060     47.7182     58.4900
   493 CA   TYR     62      0.0106     61.8701    115.5100
   505 CA   LEU     63      0.0126     68.0582     94.0000
   513 CA   VAL     64      0.0093     57.8223     49.5400
   520 CA   TRP     65      0.0134     70.5235    141.9100
   534 CA   LYS     66      0.0264    110.5609    137.7500
   543 CA   ASP     67      0.0316    126.4872     43.6100
   551 CA   LEU     68      0.0959    324.2231     80.6300
   559 CA   GLY     69      0.0670    235.3596     27.6200
   563 CA   GLY     70      0.0242    103.6847     89.2900
   567 CA   GLY     71      0.0417    157.5882    176.1900
   571 CA   LEU     72      0.0389    149.0170    138.8500
   579 CA   GLY     73      0.0143     73.1466    102.8700
   583 CA   TRP     74      0.0175     83.0423    271.8500
   597 CA   PRO     75      0.0157     77.4186    186.6100
   604 CA   LEU     76      0.0110     63.1467    237.6900
   612 CA   ALA     77      0.0167     80.6693    276.8800
   617 CA   LEU     78      0.0284    116.6518    262.6900
   625 CA   PRO     79      0.0228     99.3388    268.5700
   632 CA   LEU     80      0.0115     64.5273    279.7600
   640 CA   GLY     81      0.0181     84.9409    216.7400
   644 CA   LEU     82      0.0131     69.4385    131.4900
   652 CA   TYR     83      0.0089     56.5890    134.1100
   664 CA   ALA     84      0.0140     72.1991     43.9500
   669 CA   VAL     85      0.0164     79.7206     60.2500
   676 CA   GLN     86      0.0115     64.6090    153.1400
   685 CA   LEU     87      0.0137     71.3107    117.4000
   693 CA   THR     88      0.0202     91.4595    105.7600
   700 CA   ILE     89      0.0156     77.2169    132.3200
   708 CA   SER     90      0.0146     74.1286     85.8300
   714 CA   TRP     91      0.0171     81.8804    117.1200
   728 CA   THR     92      0.0178     84.0383    117.7200
   735 CA   VAL     93      0.0148     74.6419     51.6100
   742 CA   LEU     94      0.0152     75.9964    101.9100
   750 CA   VAL     95      0.0160     78.4547     94.3700
   757 CA   LEU     96      0.0139     72.0807    109.4700
   765 CA   PHE     97      0.0105     61.4210    128.4400
   776 CA   PHE     98      0.0141     72.7609     92.3600
   787 CA   THR     99      0.0243    103.9784     65.1300
   794 CA   VAL    100      0.0294    119.8468    111.5200
   801 CA   HIS    101      0.0149     74.9802    148.6900
   811 CA   ASN    102      0.0147     74.3593    127.5800
   819 CA   PRO    103      0.0095     58.4388    146.0700
   826 CA   GLY    104      0.0133     70.2278     30.5300
   830 CA   LEU    105      0.0165     79.8850     85.2600
   838 CA   ALA    106      0.0110     62.9754     37.2700
   843 CA   LEU    107      0.0122     66.8891     99.8300
   851 CA   LEU    108      0.0193     88.6012    117.8700
   859 CA   HIS    109      0.0153     76.4297     54.8300
   869 CA   LEU    110      0.0144     73.6496    109.1100
   877 CA   LEU    111      0.0178     83.9047     85.0100
   885 CA   LEU    112      0.0203     91.6761     91.7300
   893 CA   LEU    113      0.0141     72.5833    112.0500
   901 CA   TYR    114      0.0165     79.9438     99.8000
   913 CA   GLY    115      0.0206     92.7739     26.2800
   917 CA   LEU    116      0.0144     73.7115    114.5400
   925 CA   VAL    117      0.0125     67.7367     51.2200
   932 CA   VAL    118      0.0187     86.8628     39.3800
   939 CA   SER    119      0.0189     87.4062     80.9100
   945 CA   THR    120      0.0103     61.0691    136.4400
   952 CA   ALA    121      0.0133     70.1905     47.6800
   957 CA   LEU    122      0.0272    113.0000    153.0300
   965 CA   ILE    123      0.0183     85.4917    155.0800
   973 CA   TRP    124      0.0114     64.2190    104.9300
   987 CA   HIS    125      0.0263    110.0922     66.2700
   997 CA   PRO    126      0.0447    166.6381    120.1900
  1004 CA   ILE    127      0.0246    104.8808    101.1900
  1012 CA   ASN    128      0.0239    102.9032     70.1300
  1020 CA   LYS    129      0.0380    146.2530     79.4700
  1029 CA   LEU    130      0.0291    118.7050     78.4400
  1037 CA   ALA    131      0.0127     68.4028     36.1300
  1042 CA   ALA    132      0.0172     82.0460     34.7500
  1047 CA   LEU    133      0.0303    122.4645     98.2300
  1055 CA   LEU    134      0.0159     78.2283    129.9700
  1063 CA   LEU    135      0.0118     65.5491    127.2700
  1071 CA   LEU    136      0.0258    108.6053    152.8600
  1079 CA   PRO    137      0.0214     95.0428    149.1900
  1086 CA   TYR    138      0.0139     72.1207     82.9500
  1098 CA   LEU    139      0.0171     81.8517     51.7700
  1106 CA   ALA    140      0.0265    110.6529     27.5100
  1111 CA   TRP    141      0.0198     90.1340     56.1600
  1125 CA   LEU    142      0.0164     79.8655    133.2100
  1133 CA   THR    143      0.0223     98.0191    106.1100
  1140 CA   VAL    144      0.0240    103.1363     87.2500
  1147 CA   THR    145      0.0190     87.8005     31.9000
  1154 CA   SER    146      0.0188     87.1351     31.4600
  1160 CA   ALA    147      0.0222     97.5190     27.7000
  1165 CA   LEU    148      0.0153     76.3724     99.3300
  1173 CA   THR    149      0.0112     63.5860     97.2700
  1180 CA   TYR    150      0.0144     73.5138     46.1800
  1192 CA   HIS    151      0.0143     73.3254     74.1800
  1202 CA   LEU    152      0.0098     59.4700     95.5200
  1210 CA   TRP    153      0.0110     63.1185    205.2700
  1224 CA   ARG    154      0.0196     89.5877    269.1400
  1235 CA   ASP    155      0.0377    145.3137    204.9600
  1243 CA   SER    156      0.0510    186.2118    187.6400
  1249 CA   LEU    157      0.1113    371.5475     43.6600
  1257 CA   CYS    158      0.0474    174.9951     62.2900
  1263 CA   PRO    159      0.0415    156.9300    155.0200
  1270 CA   VAL    160      0.0204     92.0434    272.8800
  1277 CA   HIS    161      0.0192     88.3707    168.3000
  1287 CA   GLN    162      0.0243    104.0066    137.4700
  1296 CA   PRO    163      0.0666    234.1508    228.3200
  1303 CA   GLN    164      0.0415    156.9898    138.4400
  1312 CA   PRO    165      0.0471    174.2198    153.4400
  1319 CA   THR    166      0.0190     87.7713    110.6200
  1326 CA   GLU    167      0.0149     75.1070    117.3400
  1335 CA   LYS    168      0.0242    103.8562    295.4500
  1344 CA   SER    169      0.0252    106.7179    143.8000
  1350 CA   ASP    170      0.0898    305.4624     64.7300

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.