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***  PLANT PROTEIN 30-APR-81 1CRN  ***

B-factor analysis for ID 221109122551125182

Overall B-factor prediction

Correlation= 0.585 for 46 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   THR      1      0.0572      5.7772     10.8000
     9 CA   THR      2      0.0183      4.6220      8.3100
    16 CA   CYS      3      0.0131      4.4683      5.3900
    22 CA   CYS      4      0.0104      4.3890      4.2400
    28 CA   PRO      5      0.0162      4.5613      4.2500
    35 CA   SER      6      0.0362      5.1535      4.4500
    41 CA   ILE      7      0.0453      5.4254      6.3300
    49 CA   VAL      8      0.0573      5.7818      6.9300
    56 CA   ALA      9      0.0140      4.4936      3.5600
    61 CA   ARG     10      0.0134      4.4782      3.3800
    72 CA   SER     11      0.0368      5.1717      4.6000
    78 CA   ASN     12      0.0182      4.6192      4.5700
    86 CA   PHE     13      0.0094      4.3573      3.4900
    97 CA   ASN     14      0.0261      4.8553      4.3100
   105 CA   VAL     15      0.0422      5.3326      3.9800
   112 CA   CYS     16      0.0141      4.4981      3.5400
   118 CA   ARG     17      0.0254      4.8335      3.8300
   129 CA   LEU     18      0.0807      6.4780      5.4600
   137 CA   PRO     19      0.1365      8.1358      5.3800
   144 CA   GLY     20      0.2013     10.0596      5.3900
   148 CA   THR     21      0.0412      5.3023      3.9400
   155 CA   PRO     22      0.0629      5.9474      4.6900
   162 CA   GLU     23      0.0220      4.7315      5.3100
   171 CA   ALA     24      0.0509      5.5917      4.4900
   176 CA   ILE     25      0.0346      5.1066      5.4400
   184 CA   CYS     26      0.0108      4.4003      4.3700
   190 CA   ALA     27      0.0168      4.5785      4.4300
   195 CA   THR     28      0.0484      5.5171      5.0800
   202 CA   TYR     29      0.0377      5.1993      6.6000
   214 CA   THR     30      0.0154      4.5359      5.7000
   221 CA   GLY     31      0.0433      5.3657      5.5000
   225 CA   CYS     32      0.0118      4.4298      4.8900
   231 CA   ILE     33      0.0203      4.6832      5.2400
   239 CA   ILE     34      0.0268      4.8740      6.8200
   247 CA   ILE     35      0.0512      5.6000      7.5200
   255 CA   PRO     36      0.2095     10.3031      8.7800
   262 CA   GLY     37      0.2568     11.7102      9.2000
   266 CA   ALA     38      0.1613      8.8714      9.2400
   271 CA   THR     39      0.1625      8.9087      9.4600
   278 CA   CYS     40      0.0551      5.7174      8.0500
   284 CA   PRO     41      0.0714      6.1995      8.9600
   291 CA   GLY     42      0.2267     10.8163      8.0000
   295 CA   ASP     43      0.0844      6.5861      5.8500
   303 CA   TYR     44      0.0180      4.6124      5.5600
   315 CA   ALA     45      0.0438      5.3811      5.8900
   320 CA   ASN     46      0.0273      4.8890      6.1500

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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: October 18th, 2018.