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B-factor analysis for ID 2406091646141961062

Overall B-factor prediction

Correlation= 0.190 for 140 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     19      0.1214     87.8885    105.0200
    11 CA   LYS     20      0.0843     79.7503    101.9900
    20 CA   GLN     21      0.0341     68.7328     96.6600
    29 CA   TYR     22      0.0252     66.7798     89.9500
    41 CA   TRP     23      0.0295     67.7183     84.6000
    55 CA   VAL     24      0.0190     65.4230     81.7200
    62 CA   CYS     25      0.0203     65.7061     79.3800
    68 CA   ASN     26      0.0253     66.7889     79.5500
    76 CA   SER     27      0.0306     67.9609     79.1800
    82 CA   SER     28      0.0470     71.5645     76.7000
    88 CA   ASP     29      0.0249     66.7170     77.8800
    96 CA   ALA     30      0.0170     64.9778     74.1800
   101 CA   SER     31      0.0190     65.4175     73.0700
   107 CA   ILE     32      0.0154     64.6314     73.9200
   115 CA   SER     33      0.0153     64.6016     71.4600
   121 CA   TYR     34      0.0130     64.1007     68.3000
   133 CA   THR     35      0.0145     64.4301     70.0500
   140 CA   TYR     36      0.0157     64.6862     70.1400
   152 CA   CYS     37      0.0221     66.1005     78.2400
   158 CA   ASP     38      0.0287     67.5569     83.4100
   166 CA   LYS     39      0.0765     78.0414     87.6700
   175 CA   MET     40      0.0525     72.7696     88.0700
   183 CA   GLN     41      0.0245     66.6291     81.8900
   192 CA   TYR     42      0.0200     65.6409     76.3900
   204 CA   PRO     43      0.0202     65.6806     72.8500
   211 CA   ILE     44      0.0155     64.6566     71.4700
   219 CA   SER     45      0.0260     66.9620     67.0800
   225 CA   ILE     46      0.0236     66.4250     64.7400
   233 CA   ASN     47      0.0287     67.5352     69.0500
   241 CA   VAL     48      0.0257     66.8797     67.9800
   248 CA   ASN     49      0.0355     69.0354     66.7300
   256 CA   PRO     50      0.0349     68.8981     65.6500
   263 CA   CYS     51      0.0247     66.6613     71.0300
   269 CA   ILE     52      0.0236     66.4332     73.6300
   277 CA   GLU     53      0.0275     67.2862     79.5700
   286 CA   LEU     54      0.0324     68.3665     75.4400
   294 CA   LYS     55      0.0559     73.5071     73.9900
   303 CA   GLY     56      0.0615     74.7355     70.5800
   307 CA   SER     57      0.0486     71.9115     71.1400
   313 CA   LYS     58      0.0557     73.4702     70.3300
   322 CA   GLY     59      0.0423     70.5364     65.6100
   326 CA   LEU     60      0.0359     69.1308     59.0000
   334 CA   LEU     61      0.0290     67.6065     59.8800
   342 CA   HIS     62      0.0260     66.9431     64.4800
   352 CA   ILE     63      0.0215     65.9752     60.6800
   360 CA   PHE     64      0.0204     65.7204     60.4500
   371 CA   TYR     65      0.0171     65.0004     61.7700
   383 CA   ILE     66      0.0178     65.1521     64.5000
   391 CA   PRO     67      0.0155     64.6382     64.3700
   398 CA   ARG     68      0.0197     65.5705     69.8600
   409 CA   ARG     69      0.0181     65.2150     73.1400
   420 CA   ASP     70      0.0177     65.1346     68.3300
   428 CA   LEU     71      0.0129     64.0817     62.4800
   436 CA   LYS     72      0.0199     65.6175     62.9200
   445 CA   GLN     73      0.0216     65.9908     64.6400
   454 CA   LEU     74      0.0166     64.8950     61.0100
   462 CA   TYR     75      0.0223     66.1362     62.7200
   474 CA   PHE     76      0.0205     65.7524     61.0200
   485 CA   ASN     77      0.0235     66.4026     61.1300
   493 CA   LEU     78      0.0267     67.1089     60.5900
   501 CA   TYR     79      0.0274     67.2678     64.3800
   513 CA   ILE     80      0.0297     67.7761     69.9600
   521 CA   THR     81      0.0286     67.5135     76.7700
   528 CA   VAL     82      0.0318     68.2283     77.2700
   535 CA   ASN     83      0.0504     72.3075     76.9000
   543 CA   THR     84      0.1202     87.6262     80.0000
   550 CA   MET     85      0.0794     78.6789     79.4000
   558 CA   ASN     86      0.0717     76.9798     76.4700
   566 CA   LEU     87      0.0740     77.4862     67.2700
   574 CA   PRO     88      0.1201     87.6083     62.5900
   581 CA   LYS     89      0.0556     73.4592     60.2500
   590 CA   ARG     90      0.0542     73.1398     58.7600
   601 CA   LYS     91      0.0466     71.4778     57.9100
   610 CA   GLU     92      0.0537     73.0353     57.2000
   619 CA   VAL     93      0.0476     71.6925     54.4800
   626 CA   ILE     94      0.0331     68.5054     57.9300
   634 CA   CYS     95      0.0279     67.3691     63.7800
   640 CA   ARG     96      0.0616     74.7694     67.6700
   651 CA   GLY     97      0.0617     74.7915     69.2500
   655 CA   SER     98      0.1510     94.3927     70.3000
   661 CA   ASP     99      0.1626     96.9440     65.2200
   669 CA   ASP    100      0.0573     73.8202     60.0000
   677 CA   ASP    101      0.0942     81.9324     55.8100
   685 CA   TYR    102      0.0442     70.9526     53.6800
   697 CA   SER    103      0.0504     72.3169     53.7900
   703 CA   PHE    104      0.0250     66.7301     57.4100
   714 CA   CYS    105      0.0202     65.6861     59.0900
   720 CA   ARG    106      0.0370     69.3645     58.3300
   731 CA   ALA    107      0.0223     66.1497     55.6900
   736 CA   LEU    108      0.0276     67.2940     56.0300
   744 CA   LYS    109      0.0270     67.1825     62.5500
   753 CA   GLY    110      0.0334     68.5810     66.3800
   757 CA   GLU    111      0.0299     67.8199     68.3100
   766 CA   THR    112      0.0351     68.9411     67.2800
   773 CA   VAL    113      0.0207     65.7826     68.3300
   780 CA   ASN    114      0.0327     68.4262     72.1600
   788 CA   THR    115      0.0266     67.0798     67.2200
   795 CA   THR    116      0.0376     69.5092     61.7900
   802 CA   ILE    117      0.0436     70.8063     57.2100
   810 CA   SER    118      0.0620     74.8592     57.9300
   816 CA   PHE    119      0.0723     77.1162     57.4800
   827 CA   SER    120      0.0989     82.9465     59.0900
   833 CA   PHE    121      0.1095     85.2868     63.4400
   844 CA   LYS    122      0.1352     90.9179     71.6000
   853 CA   GLY    123      0.4113    151.5144     73.2600
   857 CA   ILE    124      0.1741     99.4550     72.1600
   865 CA   LYS    125      0.1597     96.2938     71.7400
   874 CA   PHE    126      0.0598     74.3733     71.0300
   885 CA   SER    127      0.0546     73.2372     71.4500
   891 CA   LYS    128      0.0445     71.0192     72.8700
   900 CA   GLY    129      0.0296     67.7397     69.6900
   904 CA   LYS    130      0.0240     66.5116     73.1900
   913 CA   TYR    131      0.0197     65.5678     71.2600
   925 CA   LYS    132      0.0205     65.7530     74.2300
   934 CA   CYS    133      0.0207     65.7934     72.5500
   940 CA   VAL    134      0.0188     65.3627     64.8200
   947 CA   VAL    135      0.0170     64.9880     63.9700
   954 CA   GLU    136      0.0152     64.5721     67.6300
   963 CA   ALA    137      0.0142     64.3624     67.3400
   968 CA   ILE    138      0.0146     64.4566     68.6800
   976 CA   SER    139      0.0146     64.4520     74.6100
   982 CA   GLY    140      0.0227     66.2287     83.3900
   986 CA   SER    141      0.0711     76.8587     90.6000
   992 CA   PRO    142      0.1118     85.7864     91.8500
   999 CA   GLU    143      0.0341     68.7342     89.8400
  1008 CA   GLU    144      0.0393     69.8760     87.8500
  1017 CA   MET    145      0.0172     65.0299     80.5500
  1025 CA   LEU    146      0.0121     63.8944     74.5300
  1033 CA   PHE    147      0.0124     63.9712     71.2100
  1044 CA   CYS    148      0.0134     64.1843     73.3400
  1050 CA   LEU    149      0.0121     63.8924     71.5300
  1058 CA   GLU    150      0.0138     64.2693     76.8000
  1067 CA   PHE    151      0.0140     64.3160     71.4900
  1078 CA   VAL    152      0.0158     64.7119     74.4400
  1085 CA   ILE    153      0.0160     64.7606     73.4900
  1093 CA   LEU    154      0.0180     65.1869     73.5000
  1101 CA   HIS    155      0.0201     65.6673     78.1500
  1111 CA   GLN    156      0.0460     71.3351     91.2100
  1120 CA   PRO    157      0.0676     76.0940    101.0000
  1127 CA   ASN    158      0.2321    112.1837    109.7800

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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 25th, 2023.