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***  ELECTRON TRANSPORT 31-MAR-94 1FDN  ***

B-factor analysis for ID 24050717192030224

Overall B-factor prediction

Correlation= 0.416 for 55 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   ALA      1      0.0251     10.3209     11.7300
     7 CA   TYR      2      0.0144      8.8836     11.0300
    19 CA   VAL      3      0.0212      9.7996      9.5100
    26 CA   ILE      4      0.0133      8.7356      9.6500
    34 CA   ASN      5      0.0232     10.0639     11.9100
    42 CA   GLU      6      0.0584     14.7911     14.5200
    51 CA   ALA      7      0.0414     12.5033     11.8900
    56 CA   CYS      8      0.0175      9.3021     10.1200
    62 CA   ILE      9      0.0557     14.4270     11.3900
    70 CA   SER     10      0.0420     12.5940     11.9000
    76 CA   CYS     11      0.0580     14.7383     11.6000
    82 CA   GLY     12      0.1311     24.5629     11.0800
    86 CA   ALA     13      0.0491     13.5414     11.6900
    91 CA   CYS     14      0.0146      8.9082     11.6000
    97 CA   GLU     15      0.0188      9.4735     14.9800
   106 CA   PRO     16      0.0475     13.3287     15.1000
   113 CA   GLU     17      0.0255     10.3727     14.3600
   122 CA   CYS     18      0.0213      9.8136     11.4700
   128 CA   PRO     19      0.0603     15.0515     12.4300
   135 CA   VAL     20      0.0431     12.7419     11.1200
   142 CA   ASN     21      0.0241     10.1843     13.2000
   153 CA   ALA     22      0.0241     10.1899     11.4000
   158 CA   ILE     23      0.0141      8.8398     11.7800
   166 CA   SER     24      0.0304     11.0313     15.8600
   172 CA   SER     25      0.0355     11.7095     22.3600
   178 CA   GLY     26      0.0806     17.7745     27.5300
   182 CA   ASP     27      0.1648     29.0829     30.3000
   190 CA   ASP     28      0.0774     17.3420     27.4800
   198 CA   ARG     29      0.0184      9.4172     19.2600
   209 CA   TYR     30      0.0129      8.6776     11.9400
   221 CA   VAL     31      0.0205      9.6986     10.2600
   228 CA   ILE     32      0.0176      9.3176      8.7000
   236 CA   ASP     33      0.0387     12.1457      8.3700
   244 CA   ALA     34      0.0499     13.6517      9.0000
   249 CA   ASP     35      0.1077     21.4180     11.4200
   257 CA   THR     36      0.0369     11.9079     11.0000
   264 CA   CYS     37      0.0233     10.0800     10.4500
   270 CA   ILE     38      0.0539     14.1882     11.8700
   278 CA   ASP     39      0.0380     12.0576     12.4900
   286 CA   CYS     40      0.0547     14.2960     11.5100
   292 CA   GLY     41      0.1098     21.6972     10.6100
   296 CA   ALA     42      0.0433     12.7647     11.2500
   301 CA   CYS     43      0.0149      8.9466     10.2800
   307 CA   ALA     44      0.0289     10.8313     10.8100
   312 CA   GLY     45      0.1301     24.4212     10.0400
   316 CA   VAL     46      0.0321     11.2624      9.9700
   323 CA   CYS     47      0.0299     10.9653      9.8400
   329 CA   PRO     48      0.0662     15.8420     11.1000
   336 CA   VAL     49      0.0406     12.4066     12.3700
   343 CA   ASP     50      0.0264     10.4891     12.7300
   351 CA   ALA     51      0.0213      9.8030     10.9500
   356 CA   PRO     52      0.0140      8.8275      9.5300
   363 CA   VAL     53      0.0263     10.4776     12.0100
   370 CA   GLN     54      0.0364     11.8327     14.7400
   379 CA   ALA     55      0.1085     21.5191     17.5600

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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: April 25th, 2023.