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***  Chelix  ***

B-factor analysis for ID 22010715344541510

Overall B-factor prediction

Correlation= -0.545 for 62 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   GLU     33      1.3270   1456.2815    137.4000
    11 CA   GLY     34      1.1219   1293.7012    139.4800
    15 CA   LYS     35      0.3475    679.9122    145.1600
    24 CA   PRO     36      0.2687    617.5048    147.7900
    31 CA   TRP     37      0.2027    565.1649    163.8100
    45 CA   TRP     38      0.1417    516.7935    190.5800
    59 CA   LEU     39      0.0742    463.3212    185.2500
    67 CA   VAL     40      0.1043    487.1833    181.7600
    74 CA   VAL     41      0.1121    493.3140    186.0500
    81 CA   VAL     42      0.0989    482.9115    199.9400
    88 CA   GLY     43      0.1231    502.0444    206.3200
    92 CA   VAL     44      0.1032    486.2671    195.8700
    99 CA   LEU     45      0.0829    470.2152    209.7200
   107 CA   VAL     46      0.0638    455.0520    528.9900
   123 CA   VAL     47      0.0632    454.5580    600.0000
   139 CA   GLY     48      0.0667    457.3886    600.0000
   146 CA   LEU     49      0.0488    443.2007    600.0000
   165 CA   LEU     50      0.0358    432.8805    600.0000
   184 CA   VAL     51      0.0511    444.9761    600.0000
   200 CA   GLY     52      0.0558    448.7270    600.0000
   207 CA   MET     53      0.0307    428.8214    600.0000
   224 CA   VAL     54      0.0237    423.2850    600.0000
   240 CA   GLY     55      0.0563    449.1439    600.0000
   247 CA   MET     56      0.0525    446.0881    600.0000
   264 CA   THR     57      0.0275    426.3244    600.0000
   278 CA   VAL     58      0.0481    442.6227    600.0000
   294 CA   ALA     59      0.1037    486.7274    600.0000
   304 CA   SER     60      0.0910    476.5909    600.0000
   315 CA   GLY     61      0.0705    460.3939    600.0000
   322 CA   SER     62      0.0477    442.3365    600.0000
   333 CA   ARG     63      0.0581    450.5186    600.0000
   357 CA   LEU     64      0.0645    455.5826    600.0000
   376 CA   PHE     65      0.0310    429.0481    600.0000
   396 CA   LEU     66      0.0197    420.1208    600.0000
   415 CA   GLY     67      0.0547    447.8879    600.0000
   422 CA   ALA     68      0.0465    441.3182    600.0000
   432 CA   GLY     69      0.0226    422.3741    600.0000
   439 CA   ALA     70      0.0374    434.1792    600.0000
   449 CA   ILE     71      0.0360    432.9962    600.0000
   468 CA   PHE     72      0.0292    427.6626    600.0000
   488 CA   PRO     73      0.0358    432.8618    600.0000
   502 CA   ILE     74      0.0472    441.8782    600.0000
   521 CA   PHE     75      0.0474    442.0310    600.0000
   541 CA   MET     76      0.0434    438.9265    600.0000
   558 CA   ILE     77      0.0514    445.2345    600.0000
   577 CA   GLY     78      0.0581    450.5761    600.0000
   584 CA   GLY     79      0.0460    440.9985    594.5200
   591 CA   VAL     80      0.0386    435.0931    572.2100
   607 CA   ALA     81      0.0451    440.2305    582.7000
   617 CA   MET     82      0.0360    433.0243    589.4100
   634 CA   MET     83      0.0246    423.9757    577.9700
   651 CA   MET     84      0.0380    434.6517    580.4500
   668 CA   PHE     85      0.0691    459.2507    558.9600
   688 CA   GLY     86      0.0673    457.8711    600.0000
   695 CA   GLY     87      0.0527    446.2841    576.3900
   702 CA   ARG     88      0.1127    493.7961    556.5600
   726 CA   PHE     89      0.1353    511.7417    582.5300
   746 CA   GLY     90      0.1509    524.1179    547.8200
   753 CA   GLY     91      0.1779    545.4673    524.8900
   760 CA   GLN     92      0.0996    483.4558    504.4200
   777 CA   GLN     93      0.1476    521.5066    456.3900
   794 CA   GLN     94      0.3250    662.1266    437.1800

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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.