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***  OXIDOREDUCTASE 21-OCT-88 5DFR  ***

B-factor analysis for ID 2604281551402917540

Overall B-factor prediction

Correlation= 0.593 for 154 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   MET      1      0.0245     22.2471     24.9300
    10 CA   ILE      2      0.0106     18.1891     16.9500
    18 CA   SER      3      0.0084     17.5328      8.4000
    24 CA   LEU      4      0.0071     17.1713     14.0100
    32 CA   ILE      5      0.0072     17.1797     10.7400
    40 CA   ALA      6      0.0083     17.5103      9.9800
    45 CA   ALA      7      0.0115     18.4605     19.4000
    50 CA   LEU      8      0.0130     18.8737     21.0000
    58 CA   ALA      9      0.0206     21.1203     33.1400
    63 CA   VAL     10      0.0327     24.6436     39.3300
    70 CA   ASP     11      0.0453     28.3254     43.6700
    78 CA   ARG     12      0.0202     20.9912     36.2300
    89 CA   VAL     13      0.0255     22.5484     32.7700
    96 CA   ILE     14      0.0248     22.3415     39.9000
   104 CA   GLY     15      0.0925     42.1227     55.7400
   108 CA   PRO     21      0.1287     52.7214     48.8700
   115 CA   TRP     22      0.0490     29.4121     49.0600
   129 CA   ASN     23      0.0588     32.2854     51.6900
   137 CA   LEU     24      0.0301     23.8911     33.3500
   145 CA   PRO     25      0.0487     29.3131     26.8300
   152 CA   ALA     26      0.0246     22.2829     20.3400
   157 CA   ASP     27      0.0155     19.6312     21.4400
   165 CA   LEU     28      0.0339     25.0021     20.9200
   173 CA   ALA     29      0.0305     24.0034     12.9600
   178 CA   TRP     30      0.0139     19.1463     11.1300
   192 CA   PHE     31      0.0159     19.7385     13.6400
   203 CA   LYS     32      0.0235     21.9623     20.2300
   212 CA   ARG     33      0.0237     22.0065     12.5900
   223 CA   ASN     34      0.0151     19.4997     10.3300
   231 CA   THR     35      0.0147     19.3698      9.5700
   238 CA   LEU     36      0.0233     21.8858     16.2300
   246 CA   ASP     37      0.0340     25.0287     15.9100
   254 CA   LYS     38      0.0150     19.4610      8.2600
   263 CA   PRO     39      0.0110     18.3167     14.8200
   270 CA   VAL     40      0.0087     17.6236     21.6400
   277 CA   ILE     41      0.0067     17.0592     16.8900
   285 CA   MET     42      0.0104     18.1387     18.0500
   293 CA   GLY     43      0.0169     20.0348     20.4200
   297 CA   ARG     44      0.0299     23.8313     27.2200
   308 CA   HIS     45      0.0507     29.9148     29.5300
   318 CA   THR     46      0.0378     26.1329     22.7100
   325 CA   TRP     47      0.0315     24.3082     19.2500
   339 CA   GLU     48      0.0614     33.0456     26.7800
   348 CA   SER     49      0.1023     45.0088     31.1300
   354 CA   ILE     50      0.0590     32.3487     34.8800
   362 CA   GLY     51      0.0652     34.1574     38.3200
   366 CA   ARG     52      0.0563     31.5574     34.9200
   377 CA   PRO     53      0.0342     25.0924     19.9800
   384 CA   LEU     54      0.0284     23.3811     15.9500
   392 CA   PRO     55      0.0569     31.7303     19.3800
   399 CA   GLY     56      0.0389     26.4517     15.0100
   403 CA   ARG     57      0.0192     20.6984     16.7000
   414 CA   LYS     58      0.0217     21.4209     20.6500
   423 CA   ASN     59      0.0132     18.9462     16.4100
   431 CA   ILE     60      0.0089     17.6961     20.7700
   439 CA   ILE     61      0.0113     18.3918     23.1700
   447 CA   LEU     62      0.0125     18.7552     29.9800
   455 CA   SER     63      0.0296     23.7516     37.1400
   461 CA   SER     64      0.0729     36.4078     49.6300
   467 CA   GLN     65      0.0922     42.0411     55.9700
   476 CA   PRO     66      0.0972     43.5099     44.0300
   483 CA   GLY     67      0.0723     36.2169     36.1100
   487 CA   THR     68      0.1017     44.8092     24.6200
   494 CA   ASP     69      0.0568     31.6935     15.6500
   502 CA   ASP     70      0.0931     42.3032     21.7200
   510 CA   ARG     71      0.0598     32.5669     24.9400
   521 CA   VAL     72      0.0252     22.4511     26.2500
   528 CA   THR     73      0.0182     20.3986     21.8100
   535 CA   TRP     74      0.0210     21.2169     23.0500
   549 CA   VAL     75      0.0201     20.9693     28.3000
   556 CA   LYS     76      0.0405     26.9284     37.8400
   565 CA   SER     77      0.0377     26.1106     32.6100
   571 CA   VAL     78      0.0236     21.9847     21.6900
   578 CA   ASP     79      0.0448     28.1932     32.3700
   586 CA   GLU     80      0.0309     24.1147     36.1500
   595 CA   ALA     81      0.0166     19.9541     25.6300
   600 CA   ILE     82      0.0240     22.0901     27.7100
   608 CA   ALA     83      0.0610     32.9134     28.3900
   613 CA   ALA     84      0.0296     23.7282     27.0700
   618 CA   CYS     85      0.0264     22.7981     22.5900
   624 CA   GLY     86      0.1423     56.6912     35.8900
   628 CA   ASP     87      0.2481     87.6245     46.1200
   636 CA   VAL     88      0.0603     32.7166     26.2400
   643 CA   PRO     89      0.0711     35.8735     24.5600
   650 CA   GLU     90      0.0154     19.5862     16.3600
   659 CA   ILE     91      0.0097     17.9257     14.8100
   667 CA   MET     92      0.0077     17.3387     19.1800
   675 CA   VAL     93      0.0076     17.3017     11.3800
   682 CA   ILE     94      0.0094     17.8336     22.3800
   690 CA   GLY     95      0.0139     19.1559     30.8300
   694 CA   GLY     96      0.0200     20.9343     44.5200
   698 CA   GLY     97      0.0210     21.2308     29.8200
   702 CA   ARG     98      0.0373     25.9896     28.7100
   713 CA   VAL     99      0.0133     18.9603     16.5800
   720 CA   TYR    100      0.0120     18.5830     20.7500
   732 CA   GLU    101      0.0188     20.5722     30.1000
   741 CA   GLN    102      0.0203     21.0282     27.3200
   750 CA   PHE    103      0.0116     18.4636     16.6000
   761 CA   LEU    104      0.0134     18.9903     24.1700
   769 CA   PRO    105      0.0300     23.8595     27.4900
   776 CA   LYS    106      0.0200     20.9362     28.4400
   785 CA   ALA    107      0.0120     18.5814     20.9400
   790 CA   GLN    108      0.0131     18.9193     23.8400
   799 CA   LYS    109      0.0091     17.7396     13.4400
   808 CA   LEU    110      0.0074     17.2394     12.0800
   816 CA   TYR    111      0.0074     17.2592      7.4700
   828 CA   LEU    112      0.0069     17.1053     14.4100
   836 CA   THR    113      0.0080     17.4183     18.4600
   843 CA   HIS    114      0.0121     18.6168     27.1000
   853 CA   ILE    115      0.0153     19.5631     22.4000
   861 CA   ASP    116      0.0301     23.8862     34.4300
   869 CA   ALA    117      0.0367     25.8170     34.2800
   874 CA   GLU    118      0.0763     37.4037     53.2000
   883 CA   VAL    119      0.0733     36.5048     50.4400
   890 CA   GLU    120      0.2354     83.9124     55.6100
   896 CA   GLY    121      0.1517     59.4277     56.4300
   900 CA   ASP    122      0.1904     70.7466     55.8900
   904 CA   THR    123      0.0564     31.5689     42.6200
   911 CA   HIS    124      0.0282     23.3229     37.4000
   921 CA   PHE    125      0.0138     19.1104     31.5700
   932 CA   PRO    126      0.0165     19.9037     31.3800
   939 CA   ASP    127      0.0382     26.2591     45.1300
   944 CA   TYR    128      0.0216     21.4119     42.3700
   956 CA   GLU    129      0.0575     31.9068     50.6500
   965 CA   PRO    130      0.0663     34.4783     50.5500
   972 CA   ASP    131      0.1026     45.0757     49.8000
   980 CA   ASP    132      0.0368     25.8369     34.9500
   988 CA   TRP    133      0.0181     20.3880     25.3900
  1002 CA   GLU    134      0.0329     24.7151     17.5800
  1011 CA   SER    135      0.0310     24.1614     18.3700
  1017 CA   VAL    136      0.0424     27.4761     14.0200
  1024 CA   PHE    137      0.0289     23.5245      8.1500
  1035 CA   SER    138      0.0302     23.9139      7.2600
  1041 CA   GLU    139      0.0283     23.3462     11.7700
  1050 CA   PHE    140      0.0435     27.8127     12.2900
  1061 CA   HIS    141      0.0370     25.9027     24.5200
  1071 CA   ASP    142      0.0641     33.8385     32.2100
  1079 CA   ALA    143      0.0523     30.3682     31.7700
  1084 CA   ASP    144      0.0964     43.2590     31.4500
  1092 CA   ALA    145      0.2561     89.9719     34.6500
  1097 CA   GLN    146      0.1052     45.8509     35.5300
  1106 CA   ASN    147      0.0408     27.0108     26.2100
  1114 CA   SER    148      0.0491     29.4313     37.6900
  1120 CA   HIS    149      0.0322     24.5146     29.0800
  1130 CA   SER    150      0.0285     23.4176     27.5100
  1136 CA   TYR    151      0.0166     19.9403     15.2700
  1148 CA   CYS    152      0.0148     19.4212     14.4800
  1154 CA   PHE    153      0.0108     18.2450      6.2700
  1165 CA   GLU    154      0.0111     18.3370     11.1900
  1174 CA   ILE    155      0.0114     18.4150     10.4100
  1182 CA   LEU    156      0.0112     18.3717     13.0300
  1190 CA   GLU    157      0.0162     19.8317     19.0600
  1199 CA   ARG    158      0.0184     20.4556     29.5600
  1210 CA   ARG    159      0.0516     30.1754     50.6200

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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.