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B-factor analysis for ID 240504015352236104

Overall B-factor prediction

Correlation= 0.767 for 60 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      0.4382     42.7469     32.6600
     7 CA   GLU      2      0.3138     32.7637     19.5400
    16 CA   ALA      3      0.1912     22.9175     19.9900
    21 CA   GLU      4      0.0763     13.6999     23.2500
    30 CA   SER      5      0.0988     15.5041     15.5400
    36 CA   ALA      6      0.1089     16.3171     10.7900
    41 CA   LEU      7      0.0366     10.5113     12.4400
    49 CA   GLU      8      0.0332     10.2414     13.5500
    58 CA   TYR      9      0.0654     12.8228     10.5800
    70 CA   ALA     10      0.0572     12.1672      9.9300
    75 CA   GLN     11      0.0427     10.9981     10.1600
    84 CA   GLN     12      0.0635     12.6666     13.0600
    93 CA   ALA     13      0.0878     14.6247     11.5900
    98 CA   LEU     14      0.0652     12.8049     10.4200
   106 CA   GLU     15      0.0702     13.2063     12.0400
   115 CA   LYS     16      0.1068     16.1418     10.5500
   124 CA   ALA     17      0.0784     13.8654      9.6000
   129 CA   GLN     18      0.0646     12.7577     13.9800
   138 CA   LEU     19      0.0965     15.3227     12.8100
   146 CA   ALA     20      0.1097     16.3766     11.1800
   151 CA   LEU     21      0.0438     11.0861     11.4700
   159 CA   GLN     22      0.0496     11.5530     13.6900
   168 CA   ALA     23      0.1156     16.8510     14.8300
   173 CA   ALA     24      0.0707     13.2478     16.2300
   178 CA   ARG     25      0.0355     10.4202     16.6300
   189 CA   GLN     26      0.1057     16.0567     19.1500
   198 CA   ALA     27      0.1533     19.8822     24.9500
   203 CA   LEU     28      0.1201     17.2168     26.5000
   211 CA   LYS     29      0.1876     22.6308     38.1600
   220 CA   ALA     30      0.3729     37.5086     42.0400
   225 CA   ALA      1      0.4542     44.0322     33.0000
   230 CA   GLU      2      0.3144     32.8113     18.4200
   239 CA   ALA      3      0.1926     23.0326     19.8500
   244 CA   GLU      4      0.0749     13.5838     20.2300
   253 CA   SER      5      0.0978     15.4258     15.5300
   259 CA   ALA      6      0.1091     16.3293     12.2400
   264 CA   LEU      7      0.0360     10.4639     12.9200
   272 CA   GLU      8      0.0338     10.2847     14.0700
   281 CA   TYR      9      0.0664     12.8995     12.4300
   293 CA   ALA     10      0.0569     12.1388      9.8700
   298 CA   GLN     11      0.0418     10.9259     10.9400
   307 CA   GLN     12      0.0630     12.6334     11.1700
   316 CA   ALA     13      0.0890     14.7174     10.6600
   321 CA   LEU     14      0.0647     12.7703     10.9900
   329 CA   GLU     15      0.0700     13.1953     11.4800
   338 CA   LYS     16      0.1090     16.3233     14.2400
   347 CA   ALA     17      0.0801     13.9988     12.2400
   352 CA   GLN     18      0.0665     12.9070     12.5400
   361 CA   LEU     19      0.0999     15.5881     11.7400
   369 CA   ALA     20      0.1143     16.7510     12.0300
   374 CA   LEU     21      0.0471     11.3530     11.8700
   382 CA   GLN     22      0.0495     11.5436     14.2300
   391 CA   ALA     23      0.1139     16.7187     15.1100
   396 CA   ALA     24      0.0658     12.8555     19.5300
   401 CA   ARG     25      0.0339     10.2906     16.1800
   412 CA   GLN     26      0.1024     15.7892     18.4400
   421 CA   ALA     27      0.1539     19.9225     22.9900
   426 CA   LEU     28      0.1230     17.4493     26.4300
   434 CA   LYS     29      0.1871     22.5886     36.2900
   443 CA   ALA     30      0.4510     43.7766     43.0400

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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.