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B-factor analysis for ID 2501091246133257243

Overall B-factor prediction

Correlation= 0.214 for 32 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
     1 CA   GLY    325     29.4235     20.6843     44.5300
     2 CA   GLU    326     41.1818     27.2107     34.0700
     3 CA   SER    327     36.0700     24.3735      0.0000
     4 CA   PHE    328    117.3934     69.5117     11.6700
     5 CA   THR    329     89.5759     54.0717     13.6100
     6 CA   LEU    330     20.8281     15.9135      8.8700
     7 CA   GLN    331     49.6688     31.9215      8.8200
     8 CA   ILE    332     24.8619     18.1524     11.1200
     9 CA   ARG    333     25.9275     18.7439     14.0500
    10 CA   GLY    334     12.4515     11.2641     18.3600
    11 CA   ARG    335     13.7291     11.9732     20.0000
    12 CA   GLU    336     12.3739     11.2210     17.5000
    13 CA   ARG    337      5.3805      7.3394     13.1100
    14 CA   PHE    338      4.0505      6.6012     14.2100
    15 CA   GLU    339      9.8316      9.8100     13.5900
    16 CA   MET    340     11.0392     10.4802     14.1600
    17 CA   PHE    341      8.1114      8.8552     11.9400
    18 CA   ARG    342      9.1552      9.4345     14.2200
    19 CA   GLU    343     12.4242     11.2490     13.9400
    20 CA   LEU    344     13.3135     11.7426      8.9900
    21 CA   ASN    345     11.7561     10.8781     10.0400
    22 CA   GLU    346     10.8674     10.3848      9.4600
    23 CA   ALA    347     11.8490     10.9297     13.7000
    24 CA   LEU    348     13.2283     11.6953      8.0400
    25 CA   GLU    349     11.3049     10.6277      8.6700
    26 CA   LEU    350      9.3648      9.5509      9.0700
    27 CA   LYS    351     11.7896     10.8967     15.4500
    28 CA   ASP    352     15.6142     13.0196     16.8600
    29 CA   ALA    353     15.3830     12.8912     18.0500
    30 CA   GLN    354     18.0992     14.3988     32.1100
    31 CA   ALA    355     33.0283     22.6852     53.1700
    32 CA   GLY    356     60.4731     37.9183     65.0500

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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.