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B-factor analysis for ID 21090220495490961

Overall B-factor prediction

Correlation= -0.079 for 186 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   GLY      1      0.0401      0.7209      1.2800
     6 CA   ALA      2      0.0432      0.7358      1.0500
    11 CA   MET      3      0.0252      0.6495      0.7800
    19 CA   GLU      4      0.0526      0.7806      0.5700
    28 CA   VAL      5      0.0334      0.6889      0.5200
    35 CA   VAL      6      0.0534      0.7846      0.5000
    42 CA   PRO      7      0.1613      1.3001      0.6400
    49 CA   ALA      8      0.0666      0.8476      0.8900
    54 CA   PRO      9      0.0576      0.8044      0.6500
    61 CA   GLU     10      0.1331      1.1657      0.7400
    70 CA   HIS     11      0.0571      0.8023      0.7100
    80 CA   PRO     12      0.0703      0.8654      0.6200
    87 CA   ALA     13      0.1256      1.1294      0.8100
    92 CA   ASN     14      0.0554      0.7940      0.6600
   100 CA   ILE     15      0.0313      0.6789      0.6300
   108 CA   SER     16      0.0420      0.7299      0.5400
   114 CA   ALA     17      0.0374      0.7080      0.8000
   119 CA   PRO     18      0.0197      0.6235      0.5700
   126 CA   ALA     19      0.0244      0.6461      0.6800
   131 CA   THR     20      0.0400      0.7206      0.5900
   138 CA   SER     21      0.0487      0.7620      0.7300
   144 CA   PRO     22      0.0424      0.7318      0.4200
   151 CA   THR     23      0.0681      0.8547      0.9200
   158 CA   GLU     24      0.0392      0.7169      0.7600
   167 CA   HIS     25      0.0223      0.6359      0.7300
   177 CA   GLN     26      0.0364      0.7032      0.5500
   186 CA   GLU     27      0.0440      0.7395      0.8000
   195 CA   ALA     28      0.0239      0.6434      0.8500
   200 CA   ALA     29      0.0209      0.6291      0.9100
   205 CA   ALA     30      0.0334      0.6887      0.9700
   210 CA   LEU     31      0.0279      0.6625      0.5400
   218 CA   HIS     32      0.0185      0.6175      0.7000
   228 CA   LYS     33      0.0231      0.6398      0.8500
   237 CA   LYS     34      0.0334      0.6889      0.4700
   246 CA   HIS     35      0.0232      0.6402      0.7100
   256 CA   ALA     36      0.0200      0.6248      0.9300
   261 CA   GLU     37      0.0345      0.6941      0.9600
   270 CA   HIS     38      0.0310      0.6776      0.8100
   280 CA   HIS     39      0.0214      0.6318      0.7300
   290 CA   LYS     40      0.0262      0.6545      0.8400
   299 CA   GLY     41      0.0452      0.7451      1.2700
   303 CA   MET     42      0.0250      0.6488      0.5400
   311 CA   ALA     43      0.0210      0.6295      0.9200
   316 CA   VAL     44      0.0462      0.7500      0.9700
   323 CA   HIS     45      0.0403      0.7218      0.8600
   333 CA   HIS     46      0.0188      0.6191      0.7200
   343 CA   GLU     47      0.0287      0.6663      0.8600
   352 CA   SER     48      0.0514      0.7750      0.9600
   358 CA   VAL     49      0.0367      0.7049      0.7900
   365 CA   ALA     50      0.0272      0.6592      0.8500
   370 CA   ALA     51      0.0604      0.8181      0.9700
   375 CA   GLU     52      0.0792      0.9080      0.6100
   384 CA   TYR     53      0.0489      0.7628      0.4700
   396 CA   GLY     54      0.0703      0.8652      1.0800
   400 CA   LYS     55      0.1641      1.3138      0.5100
   409 CA   ALA     56      0.1354      1.1763      0.8200
   414 CA   GLY     57      0.1373      1.1856      0.7300
   418 CA   HIS     58      0.0640      0.8350      0.5900
   428 CA   PRO     59      0.0526      0.7807      0.5700
   435 CA   GLU     60      0.0287      0.6665      0.5400
   444 CA   LEU     61      0.0226      0.6373      0.6500
   452 CA   LYS     62      0.0213      0.6309      0.5000
   461 CA   LYS     63      0.0191      0.6203      0.5600
   470 CA   HIS     64      0.0109      0.5812      0.6400
   480 CA   HIS     65      0.0124      0.5884      0.6400
   490 CA   GLU     66      0.0153      0.6023      0.4900
   499 CA   ALA     67      0.0115      0.5844      0.8500
   504 CA   MET     68      0.0111      0.5821      0.6800
   512 CA   ALA     69      0.0148      0.6002      0.8800
   517 CA   LYS     70      0.0171      0.6109      0.7100
   526 CA   HIS     71      0.0147      0.5993      0.6500
   536 CA   HIS     72      0.0165      0.6082      0.7400
   546 CA   GLU     73      0.0208      0.6286      0.7900
   555 CA   ALA     74      0.0200      0.6248      0.9500
   560 CA   LEU     75      0.0185      0.6176      0.7400
   568 CA   ALA     76      0.0185      0.6177      0.9400
   573 CA   LYS     77      0.0249      0.6483      0.5600
   582 CA   GLU     78      0.0181      0.6157      0.5200
   591 CA   HIS     79      0.0165      0.6081      0.6400
   601 CA   GLU     80      0.0187      0.6186      0.5500
   610 CA   LYS     81      0.0185      0.6175      0.6300
   619 CA   ALA     82      0.0143      0.5977      0.8600
   624 CA   ALA     83      0.0157      0.6042      0.9200
   629 CA   GLU     84      0.0259      0.6531      0.7800
   638 CA   ASN     85      0.0164      0.6074      0.8300
   646 CA   HIS     86      0.0140      0.5963      0.7000
   656 CA   GLU     87      0.0248      0.6479      0.7700
   665 CA   LYS     88      0.0382      0.7121      0.6600
   674 CA   MET     89      0.0211      0.6299      0.8300
   682 CA   ALA     90      0.0325      0.6844      0.8100
   687 CA   LYS     91      0.0856      0.9382      0.5300
   696 CA   PRO     92      0.1264      1.1336      0.5700
   703 CA   LYS     93      0.1961      1.4667      0.4900
   713 CA   GLY      1      0.0407      0.7240      1.2500
   717 CA   ALA      2      0.0464      0.7510      0.9800
   722 CA   MET      3      0.0262      0.6546      0.7500
   730 CA   GLU      4      0.0542      0.7885      0.7000
   739 CA   VAL      5      0.0332      0.6879      0.5200
   746 CA   VAL      6      0.0543      0.7887      0.8900
   753 CA   PRO      7      0.1349      1.1743      0.6700
   760 CA   ALA      8      0.0654      0.8417      0.8800
   765 CA   PRO      9      0.0592      0.8120      0.6700
   772 CA   GLU     10      0.1470      1.2322      0.9000
   781 CA   HIS     11      0.0603      0.8173      0.7100
   791 CA   PRO     12      0.0749      0.8875      0.6300
   798 CA   ALA     13      0.1246      1.1251      0.7500
   803 CA   ASN     14      0.0462      0.7500      0.5000
   811 CA   ILE     15      0.0295      0.6702      0.6300
   819 CA   SER     16      0.0458      0.7483      0.7400
   825 CA   ALA     17      0.0341      0.6921      0.8000
   830 CA   PRO     18      0.0188      0.6192      0.5500
   837 CA   ALA     19      0.0229      0.6386      0.6700
   842 CA   THR     20      0.0366      0.7044      0.4300
   849 CA   SER     21      0.0470      0.7540      0.7000
   855 CA   PRO     22      0.0415      0.7276      0.5900
   862 CA   THR     23      0.0666      0.8476      0.5000
   869 CA   GLU     24      0.0370      0.7062      0.7800
   878 CA   HIS     25      0.0218      0.6337      0.7100
   888 CA   GLN     26      0.0355      0.6990      0.5100
   897 CA   GLU     27      0.0419      0.7296      0.8500
   906 CA   ALA     28      0.0235      0.6414      0.8800
   911 CA   ALA     29      0.0207      0.6280      0.9000
   916 CA   ALA     30      0.0322      0.6831      0.9400
   921 CA   LEU     31      0.0274      0.6603      0.7800
   929 CA   HIS     32      0.0180      0.6151      0.7000
   939 CA   LYS     33      0.0228      0.6382      0.6800
   948 CA   LYS     34      0.0335      0.6895      0.6000
   957 CA   HIS     35      0.0236      0.6419      0.7300
   967 CA   ALA     36      0.0201      0.6254      0.9000
   972 CA   GLU     37      0.0346      0.6947      0.5800
   981 CA   HIS     38      0.0309      0.6769      0.8000
   991 CA   HIS     39      0.0211      0.6300      0.7200
  1001 CA   LYS     40      0.0257      0.6519      0.6500
  1010 CA   GLY     41      0.0462      0.7499      1.3600
  1014 CA   MET     42      0.0255      0.6514      0.8000
  1022 CA   ALA     43      0.0204      0.6269      0.9000
  1027 CA   VAL     44      0.0445      0.7419      0.5300
  1034 CA   HIS     45      0.0420      0.7299      0.7500
  1044 CA   HIS     46      0.0191      0.6204      0.6900
  1054 CA   GLU     47      0.0265      0.6558      0.6300
  1063 CA   SER     48      0.0516      0.7757      0.9400
  1069 CA   VAL     49      0.0375      0.7083      0.8000
  1076 CA   ALA     50      0.0269      0.6577      0.8900
  1081 CA   ALA     51      0.0599      0.8157      1.0500
  1086 CA   GLU     52      0.0772      0.8984      0.6200
  1095 CA   TYR     53      0.0513      0.7746      0.4400
  1107 CA   GLY     54      0.0704      0.8659      1.1200
  1111 CA   LYS     55      0.1624      1.3054      0.9600
  1120 CA   ALA     56      0.1407      1.2017      0.8000
  1125 CA   GLY     57      0.1441      1.2182      0.7300
  1129 CA   HIS     58      0.0681      0.8547      0.6000
  1139 CA   PRO     59      0.0550      0.7922      0.5600
  1146 CA   GLU     60      0.0282      0.6639      0.4500
  1155 CA   LEU     61      0.0232      0.6400      0.6600
  1163 CA   LYS     62      0.0210      0.6295      0.6100
  1172 CA   LYS     63      0.0193      0.6215      0.7000
  1181 CA   HIS     64      0.0112      0.5830      0.7100
  1191 CA   HIS     65      0.0128      0.5903      0.6600
  1201 CA   GLU     66      0.0153      0.6026      0.5200
  1210 CA   ALA     67      0.0121      0.5872      0.8900
  1215 CA   MET     68      0.0116      0.5845      0.6800
  1223 CA   ALA     69      0.0145      0.5987      0.9000
  1228 CA   LYS     70      0.0164      0.6077      0.6600
  1237 CA   HIS     71      0.0148      0.5998      0.7500
  1247 CA   HIS     72      0.0165      0.6080      0.7200
  1257 CA   GLU     73      0.0192      0.6211      0.8500
  1266 CA   ALA     74      0.0198      0.6237      0.9200
  1271 CA   LEU     75      0.0184      0.6172      0.7100
  1279 CA   ALA     76      0.0184      0.6174      0.9500
  1284 CA   LYS     77      0.0253      0.6502      0.8100
  1293 CA   GLU     78      0.0196      0.6228      0.6100
  1302 CA   HIS     79      0.0168      0.6094      0.7200
  1312 CA   GLU     80      0.0192      0.6209      0.7700
  1321 CA   LYS     81      0.0215      0.6322      0.5100
  1330 CA   ALA     82      0.0146      0.5989      0.8800
  1335 CA   ALA     83      0.0160      0.6055      0.9000
  1340 CA   GLU     84      0.0282      0.6641      0.8100
  1349 CA   ASN     85      0.0178      0.6145      0.4700
  1357 CA   HIS     86      0.0141      0.5967      0.6000
  1367 CA   GLU     87      0.0255      0.6513      0.8100
  1376 CA   LYS     88      0.0416      0.7281      0.8200
  1385 CA   MET     89      0.0207      0.6284      0.5700
  1393 CA   ALA     90      0.0338      0.6906      0.8200
  1398 CA   LYS     91      0.0816      0.9191      0.5100
  1407 CA   PRO     92      0.1140      1.0744      0.4100
  1414 CA   LYS     93      0.1805      1.3919      0.4300

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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: October 18th, 2018.