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 220530003619104179

Overall B-factor prediction

Correlation= -0.593 for 183 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      1      0.5120      1.4899      0.3900
    11 CA   ILE      2      0.2910      1.1675      0.4300
    19 CA   PRO      3      0.2186      1.0618      0.6600
    26 CA   LEU      4      0.1611      0.9778      0.6600
    34 CA   CYS      5      0.1328      0.9366      0.8100
    40 CA   ALA      6      0.1579      0.9732      0.8100
    45 CA   ASN      7      0.1227      0.9218      0.7800
    53 CA   LEU      8      0.1014      0.8907      0.8300
    61 CA   VAL      9      0.1227      0.9219      0.8300
    68 CA   PRO     10      0.1117      0.9058      0.9000
    75 CA   VAL     11      0.1337      0.9379      0.9000
    82 CA   PRO     12      0.1411      0.9487      0.9400
    89 CA   ILE     13      0.1278      0.9293      0.9400
    97 CA   THR     14      0.1548      0.9686      0.9600
   104 CA   ASN     15      0.1530      0.9661      0.9400
   112 CA   ALA     16      0.1544      0.9681      0.9900
   117 CA   THR     17      0.1318      0.9351      0.9300
   124 CA   LEU     18      0.1185      0.9158      0.9400
   132 CA   ASP     19      0.1303      0.9329      0.9600
   140 CA   GLN     20      0.1242      0.9241      0.9200
   149 CA   ILE     21      0.0936      0.8794      0.9500
   157 CA   THR     22      0.0958      0.8825      0.9700
   164 CA   GLY     23      0.0861      0.8685      0.9800
   168 CA   LYS     24      0.0693      0.8439      0.9400
   177 CA   TRP     25      0.0605      0.8310      0.9100
   191 CA   PHE     26      0.0516      0.8180      0.9500
   202 CA   TYR     27      0.0405      0.8019      0.9600
   214 CA   ILE     28      0.0514      0.8178      0.9500
   222 CA   ALA     29      0.0435      0.8062      0.9500
   227 CA   SER     30      0.0351      0.7940      0.9500
   233 CA   ALA     31      0.0347      0.7934      0.9700
   238 CA   PHE     32      0.0294      0.7856      0.9200
   249 CA   ARG     33      0.0324      0.7901      0.8700
   260 CA   ASN     34      0.0276      0.7830      0.8700
   268 CA   GLU     35      0.0267      0.7817      0.7900
   277 CA   GLU     36      0.0254      0.7798      0.7900
   286 CA   TYR     37      0.0206      0.7728      0.8700
   298 CA   ASN     38      0.0222      0.7752      0.8400
   306 CA   LYS     39      0.0245      0.7785      0.7900
   315 CA   SER     40      0.0215      0.7741      0.8100
   321 CA   VAL     41      0.0219      0.7747      0.8800
   328 CA   GLN     42      0.0287      0.7847      0.8300
   337 CA   GLU     43      0.0312      0.7883      0.8400
   346 CA   ILE     44      0.0283      0.7841      0.9300
   354 CA   GLN     45      0.0436      0.8064      0.9000
   363 CA   ALA     46      0.0399      0.8010      0.9500
   368 CA   THR     47      0.0324      0.7900      0.9400
   375 CA   PHE     48      0.0405      0.8019      0.9400
   386 CA   PHE     49      0.0420      0.8040      0.9300
   397 CA   TYR     50      0.0561      0.8246      0.9400
   409 CA   PHE     51      0.0658      0.8388      0.9200
   420 CA   THR     52      0.0835      0.8646      0.9400
   427 CA   PRO     53      0.0985      0.8865      0.9700
   434 CA   ASN     54      0.1194      0.9171      0.9200
   442 CA   LYS     55      0.1398      0.9469      0.8900
   451 CA   THR     56      0.1691      0.9896      0.8700
   458 CA   GLU     57      0.1433      0.9519      0.8500
   467 CA   ASP     58      0.1224      0.9214      0.9200
   475 CA   THR     59      0.0958      0.8826      0.9300
   482 CA   ILE     60      0.0776      0.8560      0.9500
   490 CA   PHE     61      0.0682      0.8422      0.9400
   501 CA   LEU     62      0.0499      0.8157      0.9300
   509 CA   ARG     63      0.0438      0.8068      0.8600
   520 CA   GLU     64      0.0328      0.7906      0.8800
   529 CA   TYR     65      0.0319      0.7893      0.9200
   541 CA   GLN     66      0.0271      0.7822      0.9000
   550 CA   THR     67      0.0356      0.7948      0.9100
   557 CA   ARG     68      0.0372      0.7970      0.8300
   568 CA   GLN     69      0.0617      0.8327      0.7900
   577 CA   ASP     70      0.0718      0.8476      0.8300
   585 CA   GLN     71      0.0584      0.8280      0.7800
   594 CA   CYS     72      0.0431      0.8056      0.9000
   600 CA   ILE     73      0.0311      0.7882      0.8700
   608 CA   TYR     74      0.0330      0.7909      0.8900
   620 CA   ASN     75      0.0346      0.7932      0.8700
   628 CA   THR     76      0.0439      0.8069      0.8900
   635 CA   THR     77      0.0517      0.8182      0.8900
   642 CA   TYR     78      0.0649      0.8375      0.9000
   654 CA   LEU     79      0.0620      0.8332      0.9100
   662 CA   ASN     80      0.0810      0.8610      0.9100
   670 CA   VAL     81      0.0934      0.8791      0.9500
   677 CA   GLN     82      0.1078      0.9000      0.9000
   686 CA   ARG     83      0.1267      0.9277      0.8900
   697 CA   GLU     84      0.1482      0.9590      0.8900
   706 CA   ASN     85      0.1167      0.9131      0.9000
   714 CA   GLY     86      0.1039      0.8944      0.9400
   718 CA   THR     87      0.0795      0.8588      0.9400
   725 CA   ILE     88      0.0660      0.8391      0.9300
   733 CA   SER     89      0.0563      0.8250      0.9000
   739 CA   ARG     90      0.0443      0.8074      0.8200
   750 CA   TYR     91      0.0507      0.8168      0.8400
   762 CA   VAL     92      0.0415      0.8033      0.8000
   769 CA   GLY     93      0.0535      0.8209      0.8000
   773 CA   GLY     94      0.0805      0.8603      0.8100
   777 CA   GLN     95      0.0663      0.8395      0.7500
   786 CA   GLU     96      0.0574      0.8266      0.7700
   795 CA   HIS     97      0.0407      0.8022      0.8200
   805 CA   PHE     98      0.0493      0.8147      0.8800
   816 CA   ALA     99      0.0506      0.8166      0.9300
   821 CA   HIS    100      0.0689      0.8433      0.9200
   831 CA   LEU    101      0.0754      0.8529      0.9400
   839 CA   LEU    102      0.0869      0.8696      0.9300
   847 CA   ILE    103      0.1094      0.9024      0.8600
   855 CA   LEU    104      0.1202      0.9182      0.8300
   863 CA   ARG    105      0.1641      0.9822      0.7700
   874 CA   ASP    106      0.1526      0.9655      0.8500
   882 CA   THR    107      0.1407      0.9482      0.8700
   889 CA   LYS    108      0.1194      0.9170      0.8900
   898 CA   THR    109      0.0949      0.8813      0.9200
   905 CA   TYR    110      0.0792      0.8583      0.9300
   917 CA   MET    111      0.0631      0.8349      0.9300
   925 CA   LEU    112      0.0502      0.8160      0.9400
   933 CA   ALA    113      0.0510      0.8172      0.9400
   938 CA   PHE    114      0.0407      0.8022      0.9000
   949 CA   ASP    115      0.0484      0.8133      0.8300
   957 CA   VAL    116      0.0635      0.8354      0.8100
   964 CA   ASN    117      0.0793      0.8584      0.7900
   972 CA   ASP    118      0.0633      0.8352      0.8200
   980 CA   GLU    119      0.0633      0.8352      0.7900
   989 CA   LYS    120      0.0505      0.8165      0.8600
   998 CA   ASN    121      0.0378      0.7979      0.8800
  1006 CA   TRP    122      0.0424      0.8046      0.8800
  1020 CA   GLY    123      0.0373      0.7972      0.9400
  1024 CA   LEU    124      0.0424      0.8047      0.9400
  1032 CA   SER    125      0.0377      0.7978      0.9500
  1038 CA   VAL    126      0.0521      0.8188      0.9500
  1045 CA   TYR    127      0.0573      0.8263      0.9500
  1057 CA   ALA    128      0.0773      0.8556      0.9600
  1062 CA   ASP    129      0.0924      0.8776      0.9200
  1070 CA   LYS    130      0.0933      0.8790      0.9100
  1079 CA   PRO    131      0.0787      0.8576      0.9300
  1086 CA   GLU    132      0.1028      0.8928      0.8400
  1095 CA   THR    133      0.1118      0.9059      0.8700
  1102 CA   THR    134      0.1474      0.9578      0.8200
  1109 CA   LYS    135      0.1713      0.9927      0.7800
  1118 CA   GLU    136      0.1739      0.9966      0.7700
  1127 CA   GLN    137      0.1254      0.9257      0.8200
  1136 CA   LEU    138      0.1055      0.8968      0.8700
  1144 CA   GLY    139      0.1290      0.9311      0.8700
  1148 CA   GLU    140      0.1212      0.9196      0.7900
  1157 CA   PHE    141      0.0867      0.8693      0.8700
  1168 CA   TYR    142      0.0938      0.8797      0.8700
  1180 CA   GLU    143      0.1159      0.9118      0.7900
  1189 CA   ALA    144      0.0911      0.8757      0.8800
  1194 CA   LEU    145      0.0727      0.8489      0.8800
  1202 CA   ASP    146      0.0965      0.8836      0.8600
  1210 CA   CYS    147      0.1010      0.8902      0.8600
  1216 CA   LEU    148      0.0742      0.8511      0.8800
  1224 CA   ARG    149      0.0784      0.8571      0.8200
  1235 CA   ILE    150      0.0590      0.8289      0.9000
  1243 CA   PRO    151      0.0691      0.8436      0.9200
  1250 CA   LYS    152      0.0750      0.8522      0.8900
  1259 CA   SER    153      0.0700      0.8449      0.8700
  1265 CA   ASP    154      0.0483      0.8133      0.9000
  1273 CA   VAL    155      0.0479      0.8127      0.9100
  1280 CA   VAL    156      0.0406      0.8020      0.9100
  1287 CA   TYR    157      0.0489      0.8142      0.9200
  1299 CA   THR    158      0.0481      0.8130      0.9300
  1306 CA   ASP    159      0.0730      0.8493      0.9100
  1314 CA   TRP    160      0.0735      0.8501      0.8700
  1328 CA   LYS    161      0.1021      0.8917      0.8600
  1337 CA   LYS    162      0.0779      0.8564      0.8600
  1346 CA   ASP    163      0.0604      0.8309      0.8800
  1354 CA   LYS    164      0.0600      0.8303      0.8500
  1363 CA   CYS    165      0.0497      0.8153      0.9200
  1369 CA   GLU    166      0.0661      0.8393      0.8400
  1378 CA   PRO    167      0.0802      0.8598      0.8700
  1385 CA   LEU    168      0.0643      0.8366      0.8600
  1393 CA   GLU    169      0.0627      0.8342      0.8600
  1402 CA   LYS    170      0.0871      0.8698      0.8200
  1411 CA   GLN    171      0.0906      0.8750      0.7900
  1420 CA   HIS    172      0.0768      0.8549      0.8100
  1430 CA   GLU    173      0.0925      0.8778      0.7800
  1439 CA   LYS    174      0.1139      0.9090      0.8100
  1448 CA   GLU    175      0.1068      0.8987      0.8100
  1457 CA   ARG    176      0.1057      0.8971      0.7600
  1468 CA   LYS    177      0.1402      0.9474      0.7800
  1477 CA   GLN    178      0.1524      0.9652      0.7500
  1486 CA   GLU    179      0.1437      0.9525      0.7300
  1495 CA   GLU    180      0.1662      0.9853      0.7100
  1504 CA   GLY    181      0.2122      1.0525      0.7400
  1508 CA   GLU    182      0.2251      1.0713      0.6600
  1517 CA   SER    183      0.2352      1.0860      0.6800

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.