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B-factor analysis for ID 2402062318011738460

Overall B-factor prediction

Correlation= -0.661 for 43 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   PHE      1      5.5024    109.3602     60.5000
    13 CA   ALA      2      2.6094     96.3371     79.8100
    18 CA   SER      3      1.2257     90.1082     82.5000
    24 CA   LYS      4      0.5958     87.2729     80.6200
    33 CA   GLU      5      0.5112     86.8921     81.6200
    42 CA   TYR      6      0.3503     86.1676     85.0600
    54 CA   GLY      7      0.3184     86.0240     88.3100
    58 CA   VAL      8      0.2077     85.5257     91.1900
    65 CA   THR      9      0.2652     85.7846     92.5600
    72 CA   ILE     10      0.2744     85.8259     91.3100
    80 CA   GLY     11      0.3429     86.1343     87.8100
    84 CA   GLU     12      0.3734     86.2718     87.2500
    93 CA   SER     13      0.7149     87.8089     88.8100
    99 CA   ARG     14      0.6524     87.5276     90.7500
   110 CA   ILE     15      0.3820     86.3101     88.0600
   118 CA   ILE     16      0.5457     87.0473     89.5000
   126 CA   TYR     17      0.4728     86.7188     91.0600
   138 CA   PRO     18      0.7526     87.9785     92.1900
   145 CA   LEU     19      1.4267     91.0129     91.5600
   153 CA   ASP     20      1.4748     91.2296     93.6900
   161 CA   ALA     21      0.8497     88.4156     92.5000
   166 CA   ALA     22      1.3377     90.6124     91.0600
   171 CA   GLY     23      0.7862     88.1301     90.0600
   175 CA   VAL     24      0.3870     86.3328     89.6200
   182 CA   MET     25      0.4974     86.8297     89.7500
   190 CA   VAL     26      0.2929     85.9090     89.5600
   197 CA   SER     27      0.3232     86.0455     92.3800
   203 CA   VAL     28      0.2585     85.7546     92.0600
   210 CA   LYS     29      0.2778     85.8410     93.6900
   219 CA   ASN     30      0.2132     85.5502     92.7500
   227 CA   THR     31      0.2624     85.7721     91.8100
   234 CA   GLN     32      0.1918     85.4541     91.6200
   243 CA   ASP     33      0.3742     86.2752     92.3800
   251 CA   TYR     34      0.2876     85.8852     91.5600
   263 CA   PRO     35      0.4305     86.5288     92.2500
   270 CA   VAL     36      0.3357     86.1019     90.8800
   277 CA   LEU     37      0.6815     87.6585     91.4400
   285 CA   ILE     38      0.5160     86.9135     88.9400
   293 CA   GLN     39      0.7469     87.9531     92.0600
   302 CA   SER     40      1.0833     89.4671     88.8800
   308 CA   ARG     41      1.4149     90.9600     88.9400
   319 CA   ILE     42      2.9796     98.0034     83.3100
   327 CA   TYR     43      6.2261    112.6182     84.6900

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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.