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B-factor analysis for ID 2405280836323761248

Overall B-factor prediction

Correlation= 0.770 for 40 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   TRP      1      0.0454      2.1733      2.8900
    28 CA   CYS      2      0.0240      1.2396      1.3900
    38 CA   SER      3      0.0252      1.2943      1.1400
    49 CA   THR      4      0.0067      0.4903      0.6800
    63 CA   CYS      5      0.0049      0.4107      0.6200
    73 CA   LEU      6      0.0041      0.3784      0.5000
    92 CA   ASP      7      0.0178      0.9710      0.7700
   104 CA   LEU      8      0.0077      0.5348      0.6300
   123 CA   ALA      9      0.0087      0.5780      0.6300
   133 CA   CYS     10      0.0094      0.6058      0.5500
   143 CA   GLY     11      0.0405      1.9572      0.6300
   150 CA   ALA     12      0.0283      1.4295      0.9300
   160 CA   SER     13      0.0152      0.8568      0.9300
   171 CA   ARG     14      0.0155      0.8724      0.9000
   195 CA   GLU     15      0.0094      0.6053      0.7600
   210 CA   CYS     16      0.0032      0.3358      0.4800
   220 CA   TYR     17      0.0060      0.4608      0.3900
   241 CA   ASP     18      0.0055      0.4392      0.5100
   253 CA   PRO     19      0.0041      0.3752      0.4500
   267 CA   CYS     20      0.0025      0.3089      0.3100
   277 CA   PHE     21      0.0042      0.3823      0.3900
   297 CA   LYS     22      0.0133      0.7765      0.6000
   319 CA   ALA     23      0.0119      0.7141      0.6200
   329 CA   PHE     24      0.0063      0.4716      0.5700
   349 CA   GLY     25      0.0189      1.0177      0.6200
   356 CA   ARG     26      0.0095      0.6102      0.6100
   380 CA   ALA     27      0.0056      0.4414      0.4200
   390 CA   HIS     28      0.0089      0.5854      0.5000
   407 CA   GLY     29      0.0048      0.4075      0.4900
   414 CA   LYS     30      0.0112      0.6861      0.5800
   436 CA   CYS     31      0.0084      0.5633      0.6600
   446 CA   MET     32      0.0087      0.5745      0.8300
   463 CA   ASN     33      0.0174      0.9548      0.8500
   477 CA   ASN     34      0.0152      0.8591      0.7400
   491 CA   LYS     35      0.0048      0.4066      0.5900
   513 CA   CYS     36      0.0027      0.3179      0.4600
   523 CA   ARG     37      0.0039      0.3680      0.4400
   547 CA   CYS     38      0.0032      0.3366      0.4300
   557 CA   TYR     39      0.0097      0.6202      0.7000
   578 CA   THR     40      0.0210      1.1092      1.3300

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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.