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***  STRUCTURAL PROTEIN 13-JUL-98 1BKV  ***

B-factor analysis for ID 2503022329511213460

Overall B-factor prediction

Correlation= 0.685 for 68 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   GLY      3      4.0020     53.3559     57.4600
     6 CA   PRO      4      3.2171     47.4449     58.0200
    13 CA   GLY      6      0.9946     30.7066     50.9600
    17 CA   PRO      7      1.0624     31.2176     49.0300
    24 CA   GLY      9      0.4444     26.5631     36.2900
    28 CA   ILE     10      0.6013     27.7448     33.5500
    36 CA   THR     11      0.4920     26.9214     31.7900
    43 CA   GLY     12      0.5425     27.3019     26.8300
    47 CA   ALA     13      0.7439     28.8189     25.0900
    52 CA   ARG     14      0.6931     28.4359     24.0600
    63 CA   GLY     15      0.7644     28.9730     23.2600
    67 CA   LEU     16      1.0022     30.7643     24.1200
    75 CA   ALA     17      0.9370     30.2732     22.2800
    80 CA   GLY     18      0.9511     30.3789     21.7900
    84 CA   PRO     19      1.2247     32.4399     22.9600
    91 CA   GLY     21      1.0733     31.2997     27.3000
    95 CA   PRO     22      1.2011     32.2620     31.4400
   102 CA   GLY     24      0.6526     28.1312     34.9000
   106 CA   PRO     25      0.8653     29.7328     35.6800
   113 CA   GLY     27      0.8471     29.5959     44.1000
   117 CA   PRO     28      2.2201     39.9359     48.2900
   124 CA   GLY     30      3.8863     52.4849     54.8400
   129 CA   PRO     31      5.8287     67.1134     53.7900
   136 CA   GLY     33      2.2809     40.3943     47.8700
   140 CA   PRO     34      1.7426     36.3399     44.6900
   147 CA   GLY     36      0.6090     27.8029     37.1000
   151 CA   PRO     37      0.7825     29.1095     36.3800
   158 CA   GLY     39      0.4320     26.4695     31.2800
   162 CA   ILE     40      0.5218     27.1458     30.0800
   170 CA   THR     41      0.5295     27.2039     25.4200
   177 CA   GLY     42      0.5271     27.1857     21.4400
   181 CA   ALA     43      0.5650     27.4712     22.5700
   186 CA   ARG     44      0.6144     27.8438     24.1900
   197 CA   GLY     45      0.6786     28.3271     22.9900
   201 CA   LEU     46      0.7461     28.8353     22.0600
   209 CA   ALA     47      0.7797     29.0885     21.1300
   214 CA   GLY     48      0.9494     30.3662     20.3100
   218 CA   PRO     49      1.0823     31.3674     22.4900
   225 CA   GLY     51      1.0493     31.1187     26.2700
   229 CA   PRO     52      1.1383     31.7892     29.6600
   236 CA   GLY     54      0.5159     27.1016     34.3400
   240 CA   PRO     55      0.7972     29.2199     36.2800
   247 CA   GLY     57      1.2310     32.4875     40.6800
   251 CA   PRO     58      2.6917     43.4877     47.6500
   258 CA   GLY     60      5.9210     67.8086     58.1900
   263 CA   PRO     61      4.6531     58.2593     61.0000
   270 CA   GLY     63      1.3777     33.5919     47.7700
   274 CA   PRO     64      1.1574     31.9331     41.5900
   281 CA   GLY     66      0.4613     26.6906     32.9500
   285 CA   PRO     67      0.6954     28.4538     29.9900
   292 CA   GLY     69      0.5040     27.0119     24.7400
   296 CA   ILE     70      0.7285     28.7030     24.1800
   304 CA   THR     71      0.7521     28.8805     22.3700
   311 CA   GLY     72      0.6751     28.3004     21.1000
   315 CA   ALA     73      0.8257     29.4350     19.5100
   320 CA   ARG     74      0.8796     29.8407     20.8400
   331 CA   GLY     75      0.7551     28.9032     20.1100
   335 CA   LEU     76      0.8692     29.7623     24.4800
   343 CA   ALA     77      0.9939     30.7014     27.3800
   348 CA   GLY     78      0.9276     30.2024     25.5700
   352 CA   PRO     79      0.9323     30.2376     27.7100
   359 CA   GLY     81      0.7998     29.2393     36.5100
   363 CA   PRO     82      0.8885     29.9080     38.5000
   370 CA   GLY     84      0.5918     27.6732     38.8200
   374 CA   PRO     85      1.3692     33.5276     39.4100
   381 CA   GLY     87      2.0402     38.5813     42.3100
   385 CA   PRO     88      3.9485     52.9532     45.5100
   392 CA   GLY     90      9.1585     92.1904     51.5900

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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 8th, 2025.