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***  Practical_lesson_jeandi  ***

B-factor analysis for ID 22012513052293587

Overall B-factor prediction

Correlation= 0.625 for 160 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   GLN     -7     34.3057     47.5797     31.6800
     7 CA   GLN     -6     14.5939     27.8073     25.6300
    12 CA   MET     -5      6.7520     19.9414     19.1600
    13 CA   MET     -5      6.6027     19.7916     20.9500
    25 CA   GLY     -4      2.7574     15.9344     20.9300
    29 CA   ARG     -3      0.6975     13.8682     20.7600
    40 CA   GLY     -2      0.6485     13.8190     19.4400
    44 CA   SER     -1      0.1607     13.3298     18.6700
    51 CA   MET      0      0.1036     13.2725     16.8900
    52 CA   MET      0      0.1047     13.2736     16.9400
    67 CA   CYS      1      0.0607     13.2295     19.0600
    68 CA   CYS      1      0.0624     13.2311     19.0900
    78 CA   ASP      2      0.0791     13.2480     16.5800
    86 CA   ALA      3      0.0601     13.2289     16.1800
    91 CA   PHE      4      0.0415     13.2102     12.6300
   102 CA   VAL      5      0.0595     13.2283     12.0100
   109 CA   GLY      6      0.0635     13.2323     13.2000
   113 CA   THR      7      0.0580     13.2267     12.5300
   120 CA   TRP      8      0.0392     13.2079     11.9500
   134 CA   LYS      9      0.0386     13.2073     12.4200
   143 CA   LEU     10      0.0282     13.1968     12.7600
   151 CA   VAL     11      0.0379     13.2065     14.0000
   158 CA   SER     12      0.0371     13.2057     15.2900
   165 CA   SER     13      0.0270     13.1956     14.7600
   166 CA   SER     13      0.0276     13.1962     12.3400
   177 CA   GLU     14      0.0359     13.2046     14.8000
   178 CA   GLU     14      0.0338     13.2025     12.6000
   195 CA   ASN     15      0.0329     13.2015     10.5700
   196 CA   ASN     15      0.0316     13.2003     10.8200
   210 CA   PHE     16      0.0212     13.1899     11.3200
   221 CA   ASP     17      0.0339     13.2026     11.9500
   229 CA   ASP     18      0.0368     13.2055     12.6000
   237 CA   TYR     19      0.0199     13.1886     11.0400
   249 CA   MET     20      0.0213     13.1900     11.2400
   257 CA   LYS     21      0.0382     13.2069     13.2100
   266 CA   GLU     22      0.0377     13.2064     13.8600
   275 CA   VAL     23      0.0255     13.1942     13.2600
   282 CA   GLY     24      0.0409     13.2096     13.4800
   286 CA   VAL     25      0.0363     13.2050     11.7300
   293 CA   GLY     26      0.0711     13.2399     14.6600
   297 CA   PHE     27      0.0896     13.2585     13.4400
   308 CA   ALA     28      0.0948     13.2637     13.9100
   313 CA   THR     29      0.0444     13.2131     13.2100
   320 CA   ARG     30      0.0370     13.2056     12.5700
   331 CA   LYS     31      0.0615     13.2303     12.7600
   340 CA   VAL     32      0.0539     13.2227     12.3900
   347 CA   ALA     33      0.0330     13.2017     13.3900
   352 CA   GLY     34      0.0370     13.2057     14.1400
   356 CA   MET     35      0.0604     13.2291     12.4400
   364 CA   ALA     36      0.0386     13.2073     13.5200
   369 CA   LYS     37      0.0411     13.2097     14.2300
   379 CA   PRO     38      0.0341     13.2028     12.2800
   380 CA   PRO     38      0.0337     13.2024     12.6700
   393 CA   ASN     39      0.0412     13.2099     14.1800
   394 CA   ASN     39      0.0372     13.2059     12.8400
   409 CA   MET     40      0.0335     13.2022     14.0900
   410 CA   MET     40      0.0320     13.2007     11.0500
   424 CA   ILE     41      0.0485     13.2172     12.3200
   432 CA   ILE     42      0.0482     13.2169     11.0100
   440 CA   SER     43      0.0741     13.2429     11.8200
   446 CA   VAL     44      0.0933     13.2621     14.0900
   453 CA   ASN     45      0.1767     13.3458     13.6800
   461 CA   GLY     46      0.2418     13.4111     14.4000
   465 CA   ASP     47      0.1748     13.3439     14.4400
   473 CA   VAL     48      0.0993     13.2681     11.1000
   480 CA   ILE     49      0.0647     13.2335     10.7900
   488 CA   THR     50      0.0605     13.2293     11.2500
   495 CA   ILE     51      0.0399     13.2086     11.3900
   503 CA   LYS     52      0.0435     13.2122     12.9800
   512 CA   SER     53      0.0373     13.2059     14.0700
   518 CA   GLU     54      0.0459     13.2146     14.1100
   527 CA   SER     55      0.0488     13.2175     14.1900
   533 CA   THR     56      0.0776     13.2464     13.6600
   540 CA   PHE     57      0.0466     13.2153     15.3000
   551 CA   LYS     58      0.0456     13.2143     15.9100
   560 CA   ASN     59      0.0541     13.2228     15.1300
   568 CA   THR     60      0.0569     13.2256     14.0900
   575 CA   GLU     61      0.0564     13.2251     12.7100
   584 CA   ILE     62      0.0457     13.2144     11.9700
   592 CA   SER     63      0.0616     13.2304     11.0800
   598 CA   PHE     64      0.0620     13.2308     10.7300
   609 CA   ILE     65      0.0816     13.2504     10.6400
   617 CA   LEU     66      0.0660     13.2348     10.6200
   625 CA   GLY     67      0.0784     13.2472     10.9400
   629 CA   GLN     68      0.0865     13.2553     10.8600
   639 CA   GLU     69      0.0710     13.2398     10.4000
   640 CA   GLU     69      0.0719     13.2406     10.8800
   657 CA   PHE     70      0.0612     13.2300     11.0100
   658 CA   PHE     70      0.0611     13.2299     10.9600
   673 CA   ASP     71      0.0600     13.2288     13.4800
   674 CA   ASP     71      0.0589     13.2277     11.8600
   688 CA   GLU     72      0.0395     13.2082     14.3700
   697 CA   VAL     73      0.0421     13.2108     13.6700
   704 CA   THR     74      0.0319     13.2005     13.9400
   711 CA   ALA     75      0.0487     13.2175     16.0400
   716 CA   ASP     76      0.0417     13.2104     17.0000
   724 CA   ASP     77      0.0522     13.2209     18.4700
   732 CA   ARG     78      0.0307     13.1994     14.7100
   743 CA   LYS     79      0.0434     13.2121     15.6600
   752 CA   VAL     80      0.0330     13.2017     13.2200
   759 CA   LYS     81      0.0435     13.2122     14.1600
   768 CA   SER     82      0.0352     13.2038     11.1100
   774 CA   THR     83      0.0426     13.2113     10.4300
   781 CA   ILE     84      0.0361     13.2048     10.1900
   789 CA   THR     85      0.0461     13.2148     12.1100
   796 CA   LEU     86      0.0471     13.2158     16.5900
   804 CA   ASP     87      0.0668     13.2356     18.4200
   813 CA   GLY     88      0.0919     13.2607     14.2700
   814 CA   GLY     88      0.0880     13.2568     15.3500
   821 CA   GLY     89      0.0455     13.2142     13.0200
   822 CA   GLY     89      0.0442     13.2129     13.5700
   828 CA   VAL     90      0.0268     13.1954     12.8400
   835 CA   LEU     91      0.0245     13.1932     10.7400
   836 CA   LEU     91      0.0245     13.1931     11.2100
   848 CA   VAL     92      0.0227     13.1914     10.7200
   855 CA   HIS     93      0.0205     13.1891     11.0400
   865 CA   VAL     94      0.0242     13.1928     11.4800
   872 CA   GLN     95      0.0237     13.1924     11.4600
   881 CA   LYS     96      0.0382     13.2069     15.4600
   890 CA   TRP     97      0.0454     13.2142     16.2200
   904 CA   ASP     98      0.1433     13.3124     22.6300
   912 CA   GLY     99      0.1852     13.3543     21.6300
   916 CA   LYS    100      0.0590     13.2278     17.2200
   925 CA   SER    101      0.0348     13.2035     13.8000
   931 CA   THR    102      0.0197     13.1884     11.6100
   938 CA   THR    103      0.0159     13.1845     12.7200
   945 CA   ILE    104      0.0111     13.1797     12.6600
   946 CA   ILE    104      0.0111     13.1797     11.7000
   958 CA   LYS    105      0.0117     13.1803     11.6300
   967 CA   ARG    106      0.0127     13.1813     11.7400
   978 CA   LYS    107      0.0178     13.1865     12.1400
   987 CA   ARG    108      0.0284     13.1971     12.5700
   998 CA   GLU    109      0.0453     13.2140     13.0600
  1007 CA   ASP    110      0.0888     13.2576     12.1600
  1015 CA   ASP    111      0.0604     13.2291     12.4400
  1024 CA   LYS    112      0.0318     13.2004     12.9700
  1025 CA   LYS    112      0.0317     13.2003     12.9800
  1042 CA   LEU    113      0.0207     13.1894     11.4800
  1043 CA   LEU    113      0.0206     13.1892     11.5700
  1057 CA   VAL    114      0.0138     13.1824     11.6100
  1064 CA   VAL    115      0.0090     13.1776     11.0200
  1072 CA   GLU    116      0.0093     13.1778     10.7900
  1073 CA   GLU    116      0.0091     13.1777     11.5700
  1089 CA   CYS    117      0.0093     13.1779     11.6100
  1095 CA   VAL    118      0.0159     13.1845     11.7800
  1102 CA   MET    119      0.0247     13.1934     12.7800
  1103 CA   MET    119      0.0249     13.1935     13.3600
  1115 CA   LYS    120      0.0686     13.2374     14.9600
  1124 CA   GLY    121      0.1324     13.3013     13.7200
  1128 CA   VAL    122      0.0353     13.2040     12.0600
  1135 CA   THR    123      0.0213     13.1899     13.3500
  1142 CA   SER    124      0.0147     13.1833     11.4700
  1148 CA   THR    125      0.0143     13.1829     12.0000
  1155 CA   ARG    126      0.0132     13.1819     11.2600
  1166 CA   VAL    127      0.0182     13.1868     11.5400
  1173 CA   TYR    128      0.0236     13.1922     10.8700
  1186 CA   GLU    129      0.0394     13.2081     13.5500
  1187 CA   GLU    129      0.0398     13.2085     13.6000
  1203 CA   ARG    130      0.0563     13.2250     14.2000
  1214 CA   ALA    131      0.0802     13.2491     17.9400

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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.