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***  5B0U  ***

B-factor analysis for ID 2602041026191708910

Overall B-factor prediction

Correlation= 0.670 for 170 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     -1      0.1788     70.4343     48.0100
    11 CA   PHE      0      0.0707     36.0548     33.0900
    22 CA   PHE      1      0.0274     22.2839     22.7900
    33 CA   THR      2      0.0374     25.4800     19.9700
    40 CA   LEU      3      0.0158     18.6044     18.3900
    48 CA   GLU      4      0.0256     21.7282     24.6400
    57 CA   ASP      5      0.0192     19.6722     20.9400
    65 CA   PHE      6      0.0103     16.8442     17.4800
    76 CA   VAL      7      0.0154     18.4646     20.7200
    83 CA   GLY      8      0.0161     18.6877     23.3100
    87 CA   ASP      9      0.0182     19.3523     19.7800
    95 CA   TRP     10      0.0143     18.1180     21.8200
   109 CA   ARG     11      0.0216     20.4507     26.7200
   120 CA   GLN     12      0.0213     20.3444     25.6200
   129 CA   THR     13      0.0478     28.7623     34.5000
   136 CA   ALA     14      0.0612     33.0486     25.5800
   141 CA   GLY     15      0.0328     24.0165     25.7000
   145 CA   TYR     16      0.0410     26.6144     21.2000
   157 CA   ASN     17      0.0289     22.7507     17.4500
   165 CA   LEU     18      0.0184     19.4212     26.7100
   173 CA   ASP     19      0.0309     23.3910     22.8800
   181 CA   GLN     20      0.0299     23.0697     20.2900
   190 CA   VAL     21      0.0167     18.8908     17.5800
   197 CA   LEU     22      0.0161     18.6882     19.4600
   205 CA   GLU     23      0.0249     21.4890     22.9200
   214 CA   GLN     24      0.0275     22.3229     20.7800
   223 CA   GLY     25      0.0210     20.2672     18.9800
   227 CA   GLY     26      0.0281     22.5090     22.8300
   231 CA   VAL     27      0.0212     20.3081     22.2300
   238 CA   SER     28      0.0269     22.1209     27.8600
   244 CA   SER     29      0.0405     26.4679     27.7300
   250 CA   LEU     30      0.0385     25.8171     23.2700
   258 CA   PHE     31      0.0269     22.1340     21.8600
   269 CA   GLN     32      0.0391     26.0105     25.0600
   278 CA   ASN     33      0.0580     32.0363     27.6300
   286 CA   LEU     34      0.0526     30.3090     31.8500
   294 CA   GLY     35      0.0690     35.5221     34.2200
   298 CA   VAL     36      0.0353     24.7982     34.5400
   305 CA   SER     37      0.0599     32.6217     35.8100
   311 CA   VAL     38      0.0283     22.5848     21.9600
   318 CA   THR     39      0.0302     23.1751     23.2400
   325 CA   PRO     40      0.0199     19.9118     22.8100
   332 CA   ILE     41      0.0169     18.9354     21.3500
   340 CA   GLN     42      0.0112     17.1362     17.9300
   349 CA   ARG     43      0.0133     17.7986     17.9300
   360 CA   ILE     44      0.0116     17.2618     17.7300
   368 CA   VAL     45      0.0176     19.1654     17.9900
   375 CA   LEU     46      0.0240     21.2009     19.9900
   383 CA   SER     47      0.0307     23.3479     20.9500
   389 CA   GLY     48      0.1413     58.5245     22.4900
   393 CA   GLU     49      0.1560     63.2088     28.8200
   402 CA   ASN     50      0.0455     28.0521     18.3800
   410 CA   GLY     51      0.0213     20.3324     18.0100
   414 CA   LEU     52      0.0123     17.4828     16.8400
   422 CA   LYS     53      0.0151     18.3636     16.0600
   431 CA   ILE     54      0.0103     16.8548     16.8100
   439 CA   ASP     55      0.0133     17.8177     17.3300
   447 CA   ILE     56      0.0139     17.9813     18.3900
   455 CA   HIS     57      0.0163     18.7527     17.9600
   465 CA   VAL     58      0.0143     18.1192     18.7700
   472 CA   ILE     59      0.0173     19.0787     21.6400
   480 CA   ILE     60      0.0170     18.9828     22.7800
   488 CA   PRO     61      0.0347     24.6174     41.9900
   495 CA   TYR     62      0.0438     27.5194     43.2600
   507 CA   GLU     63      0.1061     47.3265     57.7000
   516 CA   GLY     64      0.1584     63.9471     64.7700
   520 CA   LEU     65      0.0520     30.0974     62.1000
   528 CA   SER     66      0.0995     45.2372     68.6900
   534 CA   GLY     67      0.1227     52.6109     64.1700
   538 CA   ASP     68      0.1096     48.4283     69.6700
   546 CA   GLN     69      0.0469     28.5046     59.0400
   555 CA   MET     70      0.0411     26.6307     45.1000
   563 CA   GLY     71      0.0704     35.9554     47.1700
   567 CA   GLN     72      0.0586     32.2039     49.5400
   576 CA   ILE     73      0.0295     22.9641     38.6000
   584 CA   GLU     74      0.0478     28.7835     44.1200
   593 CA   LYS     75      0.0938     43.3957     47.4400
   602 CA   ILE     76      0.0749     37.3867     38.3900
   610 CA   PHE     77      0.0443     27.6749     32.9600
   621 CA   LYS     78      0.0896     42.0649     42.6800
   630 CA   VAL     79      0.0670     34.8689     24.1700
   637 CA   VAL     80      0.0331     24.1068     22.2400
   644 CA   TYR     81      0.0399     26.2485     20.0700
   656 CA   PRO     82      0.0652     34.3119     21.1900
   663 CA   VAL     83      0.0659     34.5382     30.7200
   670 CA   ASP     84      0.1212     52.1319     36.7400
   678 CA   ASP     85      0.1609     64.7525     37.6800
   686 CA   HIS     86      0.0890     41.8924     36.9200
   696 CA   HIS     87      0.0398     26.2449     29.4800
   706 CA   PHE     88      0.0224     20.6892     20.3500
   717 CA   LYS     89      0.0156     18.5452     19.6900
   726 CA   VAL     90      0.0141     18.0603     16.9900
   733 CA   ILE     91      0.0187     19.5269     17.1100
   741 CA   LEU     92      0.0181     19.3176     22.7000
   749 CA   HIS     93      0.0160     18.6680     18.5600
   759 CA   TYR     94      0.0112     17.1468     18.9100
   771 CA   GLY     95      0.0136     17.9044     23.8400
   775 CA   THR     96      0.0153     18.4525     18.5400
   782 CA   LEU     97      0.0129     17.6607     19.3500
   790 CA   VAL     98      0.0215     20.4119     14.7900
   797 CA   ILE     99      0.0167     18.8987     15.3600
   805 CA   ASP    100      0.0398     26.2337     16.6600
   813 CA   GLY    101      0.0443     27.6497     14.7200
   817 CA   VAL    102      0.0680     35.2162     19.6700
   824 CA   THR    103      0.0407     26.5095     20.3100
   831 CA   PRO    104      0.0384     25.8005     19.3400
   838 CA   ASN    105      0.0189     19.5692     17.6100
   846 CA   MET    106      0.0199     19.8956     18.6300
   854 CA   ILE    107      0.0127     17.6131     16.8200
   862 CA   ASP    108      0.0177     19.2177     24.2000
   870 CA   TYR    109      0.0147     18.2328     29.9400
   882 CA   PHE    110      0.0192     19.6653     37.0200
   893 CA   GLY    111      0.0458     28.1407     45.3500
   897 CA   ARG    112      0.0429     27.2229     32.1600
   908 CA   PRO    113      0.0286     22.6730     18.6000
   915 CA   TYR    114      0.0193     19.7101     18.0900
   927 CA   GLU    115      0.0224     20.7018     18.1900
   936 CA   GLY    116      0.0151     18.3618     14.0500
   940 CA   ILE    117      0.0180     19.3030     15.9700
   948 CA   ALA    118      0.0145     18.1821     13.4700
   953 CA   VAL    119      0.0177     19.1997     15.6400
   960 CA   PHE    120      0.0183     19.3959     15.7400
   971 CA   ASP    121      0.0425     27.0988     22.0600
   979 CA   GLY    122      0.0323     23.8464     23.0100
   983 CA   LYS    123      0.0224     20.6913     23.8400
   992 CA   LYS    124      0.0128     17.6376     19.0000
  1001 CA   ILE    125      0.0085     16.2915     17.0600
  1009 CA   THR    126      0.0111     17.0873     14.5600
  1016 CA   VAL    127      0.0086     16.2995     14.4000
  1023 CA   THR    128      0.0129     17.6746     14.6700
  1030 CA   GLY    129      0.0168     18.9182     18.3400
  1034 CA   THR    130      0.0247     21.4202     18.2800
  1041 CA   LEU    131      0.0212     20.3164     15.7900
  1049 CA   TRP    132      0.0538     30.6805     21.8200
  1063 CA   ASN    133      0.0501     29.4943     22.8300
  1071 CA   GLY    134      0.0559     31.3665     23.1400
  1075 CA   ASN    135      0.0257     21.7614     21.3400
  1083 CA   LYS    136      0.0228     20.8376     19.8500
  1092 CA   ILE    137      0.0121     17.4291     19.0600
  1100 CA   ILE    138      0.0112     17.1374     16.9400
  1108 CA   ASP    139      0.0078     16.0559     17.4500
  1116 CA   GLU    140      0.0085     16.2812     16.0400
  1125 CA   ARG    141      0.0066     15.6651     14.4800
  1136 CA   LEU    142      0.0106     16.9482     21.3700
  1144 CA   ILE    143      0.0140     18.0385     22.6100
  1152 CA   ASN    144      0.0311     23.4671     26.2100
  1160 CA   PRO    145      0.1086     48.1287     35.5400
  1167 CA   ASP    146      0.1373     57.2446     28.9900
  1175 CA   GLY    147      0.0390     25.9679     29.4200
  1179 CA   SER    148      0.0219     20.5416     27.3600
  1185 CA   LEU    149      0.0109     17.0247     19.8800
  1193 CA   LEU    150      0.0113     17.1600     18.6400
  1201 CA   PHE    151      0.0088     16.3852     18.5000
  1212 CA   ARG    152      0.0101     16.7844     16.5700
  1223 CA   VAL    153      0.0098     16.6831     17.7600
  1230 CA   THR    154      0.0145     18.1769     17.0500
  1237 CA   ILE    155      0.0140     18.0343     19.0500
  1245 CA   ASN    156      0.0272     22.2086     24.7100
  1253 CA   GLY    157      0.0586     32.2234     25.8100
  1257 CA   VAL    158      0.0261     21.8721     21.5900
  1264 CA   THR    159      0.0175     19.1304     17.6700
  1271 CA   GLY    160      0.0169     18.9368     23.3800
  1275 CA   TRP    161      0.0153     18.4525     20.2900
  1289 CA   ARG    162      0.0148     18.2741     21.1800
  1300 CA   LEU    163      0.0175     19.1351     21.0000
  1308 CA   CYS    164      0.0156     18.5388     20.6400
  1314 CA   GLU    165      0.0222     20.6339     21.5900
  1323 CA   ARG    166      0.0241     21.2295     23.6000
  1334 CA   ILE    167      0.0436     27.4354     31.2600
  1342 CA   LEU    168      0.2121     81.0264     46.9100

If you find results from this site helpful for your research, please cite one of our papers:

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: december 26th, 2025.