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.


***  trans_active  ***

B-factor analysis for ID 211115223111113293

Overall B-factor prediction

Correlation= 0.562 for 204 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   ASN    327      0.0554     60.3036     45.3200
    10 CA   LEU    328      0.0534     59.7447     43.7800
    18 CA   ASP    329      0.0365     55.1912     55.4300
    26 CA   SER    330      0.0786     66.5466     54.8600
    32 CA   GLU    331      0.0631     62.3636     60.2000
    41 CA   THR    332      0.0230     51.5416     57.8000
    48 CA   GLY    333      0.0232     51.6139     53.2900
    52 CA   ALA    334      0.0167     49.8667     51.4300
    57 CA   MET    335      0.0090     47.7840     48.6700
    65 CA   VAL    336      0.0107     48.2453     42.7800
    72 CA   ARG    337      0.0198     50.6966     46.4600
    83 CA   LEU    338      0.0164     49.7882     45.0800
    91 CA   LEU    339      0.0131     48.8913     53.2500
    99 CA   GLU    340      0.0188     50.4271     68.2800
   108 CA   ASP    341      0.0763     65.9344     92.9900
   116 CA   GLU    138      0.0141     49.1669     46.2200
   125 CA   ARG    139      0.0122     48.6505     49.3500
   136 CA   THR    140      0.0221     51.3086     52.3500
   143 CA   ASP    141      0.0199     50.7065     55.3500
   151 CA   PHE    142      0.0109     48.2892     55.7300
   162 CA   ASP    143      0.0142     49.1767     55.9200
   170 CA   GLN    144      0.0163     49.7444     53.2300
   179 CA   VAL    145      0.0136     49.0256     55.3500
   186 CA   ARG    146      0.0153     49.4677     60.1700
   197 CA   SER    147      0.0217     51.1970     67.4400
   203 CA   LEU    148      0.0196     50.6418     60.1700
   211 CA   MET    149      0.0170     49.9293     58.9100
   219 CA   GLU    150      0.0239     51.7906     68.3400
   228 CA   ASN    151      0.0411     56.4451     75.9500
   236 CA   SER    152      0.0315     53.8555     75.5800
   242 CA   ASP    153      0.0367     55.2601     79.0900
   250 CA   ARG    154      0.0271     52.6532     76.8000
   261 CA   CYS    155      0.0152     49.4617     71.8400
   267 CA   GLN    156      0.0149     49.3613     67.3400
   276 CA   ASP    157      0.0142     49.1702     64.2300
   284 CA   ILE    158      0.0082     47.5605     55.5300
   292 CA   ARG    159      0.0067     47.1496     47.8700
   303 CA   ASN    160      0.0066     47.1346     43.7400
   311 CA   LEU    161      0.0066     47.1205     45.1700
   319 CA   ALA    162      0.0052     46.7620     50.5800
   324 CA   PHE    163      0.0048     46.6489     47.7400
   335 CA   LEU    164      0.0051     46.7278     40.9900
   343 CA   GLY    165      0.0052     46.7567     41.8400
   347 CA   ILE    166      0.0045     46.5682     36.7400
   355 CA   ALA    167      0.0052     46.7572     32.3800
   360 CA   TYR    168      0.0062     47.0310     31.9800
   372 CA   ASN    169      0.0056     46.8561     34.1100
   380 CA   THR    170      0.0057     46.8767     35.4700
   387 CA   LEU    171      0.0060     46.9819     34.2700
   395 CA   LEU    172      0.0079     47.4829     32.5000
   403 CA   ARG    173      0.0094     47.8837     35.8800
   414 CA   ILE    174      0.0110     48.3124     34.3600
   422 CA   ALA    175      0.0119     48.5485     35.2100
   427 CA   GLU    176      0.0085     47.6537     36.7600
   436 CA   ILE    177      0.0073     47.3081     35.7100
   444 CA   ALA    178      0.0106     48.2151     38.8100
   449 CA   ARG    179      0.0105     48.1940     39.8600
   460 CA   ILE    180      0.0097     47.9693     38.5300
   468 CA   ARG    181      0.0108     48.2614     40.0800
   479 CA   VAL    182      0.0137     49.0424     37.3000
   486 CA   LYS    183      0.0231     51.5734     44.3200
   495 CA   ASP    184      0.0129     48.8328     44.5100
   503 CA   ILE    185      0.0125     48.7321     45.2600
   511 CA   SER    186      0.0199     50.7058     53.3600
   517 CA   ARG    187      0.0174     50.0376     59.7100
   528 CA   THR    188      0.0290     53.1602     67.9500
   535 CA   ASP    189      0.0648     62.8331     81.0600
   543 CA   GLY    190      0.0467     57.9370     73.5300
   547 CA   GLY    191      0.0296     53.3418     65.1600
   551 CA   ARG    192      0.0110     48.3132     52.6100
   562 CA   MET    193      0.0094     47.8780     48.7700
   570 CA   LEU    194      0.0092     47.8432     45.2700
   578 CA   ILE    195      0.0087     47.7040     42.6100
   586 CA   HIS    196      0.0145     49.2526     42.8000
   596 CA   ILE    197      0.0141     49.1630     44.3400
   604 CA   GLY    198      0.0407     56.3259     52.2000
   608 CA   ARG    199      0.0278     52.8442     60.6600
   619 CA   THR    200      0.0283     52.9821     66.8700
   626 CA   LYS    201      0.0507     59.0347     75.5600
   635 CA   THR    202      0.0554     60.2944     78.7300
   642 CA   LEU    203      0.0493     58.6440     77.8100
   650 CA   VAL    204      0.0752     65.6204     79.3800
   657 CA   SER    205      0.0987     71.9597     81.6100
   663 CA   THR    206      0.1931     97.4157     78.8000
   670 CA   ALA    207      0.1377     82.4785     77.9500
   675 CA   GLY    208      0.0378     55.5339     79.2100
   679 CA   VAL    209      0.0309     53.6944     66.0200
   686 CA   GLU    210      0.0124     48.6973     60.6700
   695 CA   LYS    211      0.0087     47.6954     44.8700
   704 CA   ALA    212      0.0073     47.3087     39.2400
   709 CA   LEU    213      0.0066     47.1382     43.1200
   717 CA   SER    214      0.0097     47.9695     51.2300
   723 CA   LEU    215      0.0132     48.9173     52.1300
   731 CA   GLY    216      0.0120     48.5775     51.7400
   735 CA   VAL    217      0.0084     47.6143     49.6500
   742 CA   THR    218      0.0108     48.2535     50.5300
   749 CA   LYS    219      0.0193     50.5441     57.0800
   758 CA   LEU    220      0.0074     47.3504     50.4400
   766 CA   VAL    221      0.0071     47.2803     49.2300
   773 CA   GLU    222      0.0132     48.9091     54.6900
   782 CA   ARG    223      0.0105     48.1741     54.0400
   793 CA   TRP    224      0.0081     47.5282     55.6800
   807 CA   ILE    225      0.0100     48.0532     61.2400
   815 CA   SER    226      0.0205     50.8919     67.1900
   821 CA   VAL    227      0.0168     49.8951     55.0300
   828 CA   SER    228      0.0138     49.0859     59.1400
   834 CA   GLY    229      0.0183     50.2956     68.6900
   838 CA   VAL    230      0.0143     49.1988     60.5400
   845 CA   ALA    231      0.0265     52.4916     70.6300
   850 CA   ASP    232      0.0616     61.9627     83.1900
   858 CA   ASP    233      0.0380     55.6094     79.3100
   866 CA   PRO    234      0.0321     53.9967     71.4700
   873 CA   ASN    235      0.0266     52.5296     60.3200
   881 CA   ASN    236      0.0140     49.1394     51.6200
   889 CA   TYR    237      0.0111     48.3383     48.7300
   901 CA   LEU    238      0.0061     46.9983     40.5700
   909 CA   PHE    239      0.0057     46.9030     42.0600
   920 CA   CYS    240      0.0121     48.6216     55.3800
   926 CA   ARG    241      0.0228     51.4902     50.9800
   937 CA   VAL    242      0.0246     51.9788     56.6800
   944 CA   ARG    243      0.0528     59.5853     65.1200
   955 CA   LYS    244      0.1723     91.8082     67.8000
   964 CA   ASN    245      0.1504     85.9067     70.9400
   972 CA   GLY    246      0.0597     61.4464     69.0500
   976 CA   VAL    247      0.0483     58.3720     68.8300
   983 CA   ALA    248      0.0213     51.0955     66.7900
   988 CA   ALA    249      0.0266     52.5336     66.6000
   993 CA   PRO    250      0.0174     50.0417     62.4500
  1000 CA   SER    251      0.0197     50.6519     62.3200
  1006 CA   ALA    252      0.0274     52.7291     56.3100
  1011 CA   THR    253      0.0612     61.8586     58.2700
  1018 CA   SER    254      0.0265     52.5088     55.7300
  1024 CA   GLN    255      0.0165     49.8104     51.1300
  1033 CA   LEU    256      0.0145     49.2733     47.5900
  1041 CA   SER    257      0.0226     51.4475     50.9900
  1047 CA   THR    258      0.0234     51.6684     52.0300
  1054 CA   ARG    259      0.0329     54.2161     41.5400
  1065 CA   ALA    260      0.0181     50.2425     38.7900
  1070 CA   LEU    261      0.0111     48.3400     39.9000
  1078 CA   GLU    262      0.0152     49.4627     46.4900
  1087 CA   GLY    263      0.0179     50.1924     44.6200
  1091 CA   ILE    264      0.0099     48.0255     39.1700
  1099 CA   PHE    265      0.0097     47.9803     44.9500
  1110 CA   GLU    266      0.0167     49.8591     53.8800
  1119 CA   ALA    267      0.0233     51.6340     53.7300
  1124 CA   THR    268      0.0169     49.9066     50.9900
  1131 CA   HIS    269      0.0161     49.6988     53.2200
  1141 CA   ARG    270      0.0300     53.4349     61.9000
  1152 CA   LEU    271      0.0367     55.2471     61.0000
  1160 CA   ILE    272      0.0342     54.5776     54.6800
  1168 CA   TYR    273      0.0464     57.8586     57.3000
  1180 CA   GLY    274      0.0729     65.0062     60.1400
  1184 CA   ALA    275      0.1023     72.9388     71.3700
  1189 CA   LYS    276      0.1069     74.1680     83.8200
  1198 CA   ASP    277      0.1783     93.4157     89.8100
  1206 CA   ASP    278      0.3820    148.3615     96.2000
  1214 CA   SER    279      0.3504    139.8328     90.4400
  1220 CA   GLY    280      0.3592    142.2003     84.1800
  1224 CA   GLN    281      0.2811    121.1479     77.7300
  1233 CA   ARG    282      0.2311    107.6562     61.3400
  1244 CA   TYR    283      0.1133     75.8926     61.1900
  1256 CA   LEU    284      0.0673     63.5101     54.9700
  1264 CA   ALA    285      0.0313     53.8014     48.0900
  1269 CA   TRP    286      0.0122     48.6434     42.9200
  1283 CA   SER    287      0.0139     49.1050     43.8600
  1289 CA   GLY    288      0.0107     48.2452     38.7300
  1293 CA   HIS    289      0.0097     47.9641     40.2600
  1303 CA   SER    290      0.0094     47.8820     37.7600
  1309 CA   ALA    291      0.0077     47.4403     28.9100
  1314 CA   ARG    292      0.0096     47.9404     33.4500
  1325 CA   VAL    293      0.0116     48.4696     31.0600
  1332 CA   GLY    294      0.0126     48.7375     29.6700
  1336 CA   ALA    295      0.0092     47.8275     32.4500
  1341 CA   ALA    296      0.0117     48.5172     34.4700
  1346 CA   ARG    297      0.0160     49.6780     38.8500
  1357 CA   ASP    298      0.0144     49.2443     43.8700
  1365 CA   MET    299      0.0134     48.9565     39.8600
  1373 CA   ALA    300      0.0294     53.2885     44.1100
  1378 CA   ARG    301      0.0513     59.1735     46.5700
  1389 CA   ALA    302      0.0580     60.9795     50.4000
  1394 CA   GLY    303      0.0866     68.6909     52.4200
  1398 CA   VAL    304      0.0306     53.5961     49.4200
  1405 CA   SER    305      0.0427     56.8678     46.6400
  1411 CA   ILE    306      0.0481     58.3353     44.1800
  1419 CA   PRO    307      0.0481     58.3333     42.4700
  1426 CA   GLU    308      0.0238     51.7756     49.4100
  1435 CA   ILE    309      0.0168     49.8700     42.6300
  1443 CA   MET    310      0.0216     51.1814     48.1500
  1451 CA   GLN    311      0.0240     51.8128     49.3600
  1460 CA   ALA    312      0.0134     48.9668     43.9900
  1465 CA   GLY    313      0.0119     48.5634     48.6300
  1469 CA   GLY    314      0.0248     52.0485     46.6600
  1473 CA   TRP    315      0.0237     51.7379     43.3600
  1487 CA   THR    316      0.0841     68.0246     47.4200
  1494 CA   ASN    317      0.0733     65.1296     59.5000
  1502 CA   VAL    318      0.0509     59.0889     68.3700
  1509 CA   ASN    319      0.0649     62.8475     72.0200
  1517 CA   ILE    320      0.0359     55.0371     68.5800
  1525 CA   VAL    321      0.0264     52.4658     72.7900
  1532 CA   MET    322      0.0566     60.6070     80.7600
  1540 CA   ASN    323      0.0557     60.3625     96.6400
  1548 CA   TYR    324      0.0293     53.2559     94.7200
  1560 CA   ILE    325      0.0407     56.3375     94.0100
  1568 CA   ARG    326      0.1799     93.8587     95.5700

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.