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B-factor analysis for ID 22120310140814104

Overall B-factor prediction

Correlation= 0.668 for 115 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   CYS     10      0.0206     12.1898     30.5000
    10 CA   PRO     11      0.0123     10.6620     17.3400
    17 CA   LEU     12      0.0089     10.0321     13.7100
    25 CA   MET     13      0.0133     10.8414     12.4900
    37 CA   VAL     14      0.0102     10.2678      9.5400
    44 CA   LYS     15      0.0131     10.8101     10.7200
    57 CA   VAL     16      0.0094     10.1249      8.8300
    64 CA   LEU     17      0.0133     10.8522      8.7600
    75 CA   ASP     18      0.0135     10.8869      8.1500
    83 CA   ALA     19      0.0264     13.2579      8.2600
    88 CA   VAL     20      0.0434     16.3830      9.9300
    95 CA   ARG     21      0.0477     17.1725     14.3500
   106 CA   GLY     22      0.0937     25.6149     10.4200
   110 CA   SER     23      0.0438     16.4545     10.0400
   117 CA   PRO     24      0.0192     11.9296     10.4600
   124 CA   ALA     25      0.0118     10.5784      9.3600
   129 CA   ILE     26      0.0171     11.5482     10.1100
   137 CA   ASN     27      0.0220     12.4506     10.5000
   145 CA   VAL     28      0.0109     10.4047      9.9900
   152 CA   ALA     29      0.0154     11.2275      9.3900
   157 CA   VAL     30      0.0117     10.5541      9.0600
   164 CA   HIS     31      0.0140     10.9723      9.5900
   174 CA   VAL     32      0.0111     10.4367      9.5800
   181 CA   PHE     33      0.0110     10.4135     11.6200
   192 CA   ARG     34      0.0110     10.4191     12.1100
   203 CA   LYS     35      0.0201     12.0979     15.3300
   217 CA   ALA     36      0.0488     17.3655     19.2100
   222 CA   ALA     37      0.1970     44.5932     30.9200
   227 CA   ASP     38      0.1797     41.4167     34.5000
   235 CA   ASP     39      0.0949     25.8410     38.0300
   243 CA   THR     40      0.0655     20.4331     30.7200
   250 CA   TRP     41      0.0258     13.1475     20.9700
   264 CA   GLU     42      0.0311     14.1224     17.1100
   273 CA   PRO     43      0.0350     14.8371     14.9300
   280 CA   PHE     44      0.0142     11.0167     13.1900
   291 CA   ALA     45      0.0242     12.8512     11.5600
   296 CA   SER     46      0.0220     12.4373      9.2000
   304 CA   GLY     47      0.0206     12.1945      9.6900
   308 CA   LYS     48      0.0215     12.3548     12.0500
   317 CA   THR     49      0.0148     11.1203      9.3900
   324 CA   SER     50      0.0261     13.1985     12.7500
   330 CA   GLU     51      0.0605     19.5071     17.2700
   339 CA   SER     52      0.0292     13.7645     15.4300
   345 CA   GLY     53      0.0136     10.8916     11.5400
   349 CA   GLU     54      0.0157     11.2838     10.9900
   358 CA   LEU     55      0.0140     10.9789     10.8400
   366 CA   HIS     56      0.0246     12.9168     18.7200
   376 CA   GLY     57      0.0332     14.5003     18.8400
   380 CA   LEU     58      0.0160     11.3336     13.7000
   388 CA   THR     59      0.0182     11.7436     14.4800
   395 CA   THR     60      0.0272     13.4007     16.8200
   402 CA   GLU     61      0.0241     12.8301     21.0600
   415 CA   GLU     62      0.0691     21.0975     17.7300
   424 CA   GLU     63      0.0298     13.8694     11.6400
   438 CA   PHE     64      0.0124     10.6756     10.2100
   449 CA   VAL     65      0.0246     12.9254     10.3900
   456 CA   GLU     66      0.0221     12.4682     11.5000
   470 CA   GLY     67      0.0170     11.5315     12.5100
   474 CA   ILE     68      0.0147     11.0990      9.9100
   482 CA   TYR     69      0.0090     10.0542      9.7200
   494 CA   LYS     70      0.0119     10.5939     11.0200
   503 CA   VAL     71      0.0109     10.3975     11.2300
   510 CA   GLU     72      0.0130     10.7864     11.1500
   524 CA   ILE     73      0.0098     10.1946     10.0300
   532 CA   ASP     74      0.0125     10.6892     10.8400
   544 CA   THR     75      0.0090     10.0557     10.0600
   551 CA   LYS     76      0.0159     11.3177     11.4900
   562 CA   SER     77      0.0206     12.1945     19.3600
   570 CA   TYR     78      0.0120     10.6146     18.1500
   582 CA   TRP     79      0.0137     10.9259     18.0500
   596 CA   LYS     80      0.0303     13.9749     25.6900
   605 CA   ALA     81      0.0623     19.8478     22.0800
   610 CA   LEU     82      0.0491     17.4229     24.2300
   618 CA   GLY     83      0.1936     43.9617     27.6100
   622 CA   ILE     84      0.0386     15.4925     19.9300
   630 CA   SER     85      0.0493     17.4502     22.3400
   637 CA   PRO     86      0.0228     12.5913     15.4700
   644 CA   PHE     87      0.0369     15.1826     13.6500
   655 CA   HIS     88      0.0224     12.5182      9.4300
   665 CA   GLU     89      0.0279     13.5196     10.5000
   674 CA   HIS     90      0.0164     11.4201     11.5000
   684 CA   ALA     91      0.0145     11.0736     14.3100
   689 CA   GLU     92      0.0192     11.9338     20.9000
   698 CA   VAL     93      0.0170     11.5286     13.4600
   705 CA   VAL     94      0.0223     12.4918      9.6600
   712 CA   PHE     95      0.0199     12.0550      9.0200
   723 CA   THR     96      0.0266     13.2893      9.7200
   730 CA   ALA     97      0.0147     11.1105     10.7300
   735 CA   ASN     98      0.0189     11.8765     15.1100
   743 CA   ASP     99      0.0459     16.8248     22.5000
   755 CA   SER    100      0.1098     28.5773     22.2500
   761 CA   GLY    101      0.0628     19.9371     19.7500
   765 CA   PRO    102      0.0319     14.2657     16.1500
   772 CA   ARG    103      0.0192     11.9366     13.4500
   783 CA   ARG    104      0.0155     11.2520     13.0600
   794 CA   TYR    105      0.0110     10.4151     10.0000
   806 CA   THR    106      0.0153     11.2057     10.8500
   813 CA   ILE    107      0.0110     10.4307     10.8400
   821 CA   ALA    108      0.0179     11.6886     12.1900
   826 CA   ALA    109      0.0133     10.8442      9.6600
   831 CA   LEU    110      0.0165     11.4401      8.5400
   842 CA   LEU    111      0.0106     10.3417      8.5400
   850 CA   SER    112      0.0178     11.6646      9.0200
   857 CA   PRO    113      0.0215     12.3590     10.6300
   864 CA   TYR    114      0.0381     15.4002     10.5100
   876 CA   SER    115      0.0344     14.7279      9.8200
   884 CA   TYR    116      0.0188     11.8463     10.1800
   896 CA   SER    117      0.0312     14.1311     10.7100
   904 CA   THR    118      0.0216     12.3631     10.5200
   914 CA   MET    119      0.0500     17.5941     12.7000
   926 CA   ALA    120      0.0320     14.2779      9.1700
   931 CA   VAL    121      0.0483     17.2759     10.1500
   938 CA   VAL    122      0.0324     14.3613     10.2900
   945 CA   THR    123      0.0445     16.5832     16.3000
   955 CA   ASN    124      0.0800     23.1010     21.5800

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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.