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***  EXP_5JHW_unrelaxed_rank_001_alphafold2_ptm_model_5_seed_000  ***

B-factor analysis for ID 24021912411639070

Overall B-factor prediction

Correlation= -0.874 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   LYS      1      1.0611    140.5633     51.7200
    11 CA   SER      2      0.3933    106.0118     58.8400
    17 CA   ASP      3      0.1143     91.5780     78.1900
    25 CA   GLU      4      0.0990     90.7850     88.8800
    34 CA   PRO      5      0.0438     87.9315     94.5000
    41 CA   VAL      6      0.0189     86.6434     95.5000
    48 CA   CYS      7      0.0104     86.2034     96.5000
    54 CA   ALA      8      0.0119     86.2797     94.9400
    59 CA   SER      9      0.0377     87.6160     94.3800
    65 CA   ASP     10      0.0591     88.7214     92.9400
    73 CA   ASN     11      0.0463     88.0618     92.9400
    81 CA   ALA     12      0.0406     87.7667     93.3800
    86 CA   THR     13      0.0219     86.7965     95.2500
    93 CA   TYR     14      0.0245     86.9332     94.8100
   105 CA   ALA     15      0.0635     88.9468     93.3800
   110 CA   SER     16      0.0563     88.5775     93.6900
   116 CA   GLU     17      0.0467     88.0803     90.7500
   125 CA   CYS     18      0.0769     89.6434     92.5600
   131 CA   ALA     19      0.0598     88.7600     93.1200
   136 CA   MET     20      0.0214     86.7702     94.5600
   144 CA   LYS     21      0.0364     87.5483     92.8100
   153 CA   GLU     22      0.0735     89.4689     94.5600
   162 CA   ALA     23      0.0472     88.1081     92.6900
   167 CA   ALA     24      0.0314     87.2895     93.7500
   172 CA   CYS     25      0.0816     89.8856     93.8800
   178 CA   SER     26      0.1440     93.1118     94.8800
   184 CA   SER     27      0.1303     92.4073     92.6200
   190 CA   GLY     28      0.2546     98.8338     93.5600
   194 CA   VAL     29      0.0904     90.3399     92.1900
   201 CA   LEU     30      0.1019     90.9349     91.4400
   209 CA   LEU     31      0.0271     87.0640     93.1900
   217 CA   GLU     32      0.0621     88.8769     93.6200
   226 CA   VAL     33      0.0355     87.5007     93.3800
   233 CA   LYS     34      0.0474     88.1162     94.0000
   242 CA   HIS     35      0.0469     88.0896     93.0000
   252 CA   SER     36      0.0852     90.0735     91.3800
   258 CA   GLY     37      0.0557     88.5470     93.0600
   262 CA   SER     38      0.0406     87.7660     91.9400
   268 CA   CYS     39      0.0394     87.7043     89.1900
   274 CA   ASN     40      0.1830     95.1339     83.5000

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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.