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B-factor analysis for ID 21071218450377297

Overall B-factor prediction

Correlation= 0.367 for 326 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   VAL     -4    253.0462    155.2942     39.7100
     9 CA   SER     -3    206.2257    130.1524     39.8700
    15 CA   ARG     -2    173.9141    112.8016     40.1700
    26 CA   ARG     -1    143.3198     96.3730     40.7500
    37 CA   HIS      0    109.3740     78.1447     41.6400
    47 CA   MET      1    102.3063     74.3494     42.8400
    55 CA   ASN      2     80.4246     62.5993     44.3300
    63 CA   ILE      3     54.7416     48.8080     46.1000
    71 CA   ASP      4     47.0246     44.6641     48.1600
    79 CA   MET      5     43.7648     42.9136     50.5000
    87 CA   ALA      6     42.9228     42.4615     53.0700
    92 CA   ALA      7     27.8166     34.3497     55.7600
    97 CA   LEU      8     42.3474     42.1525     58.5200
   105 CA   HIS      9     59.6375     51.4370     61.3300
   115 CA   ALA     10     43.2193     42.6207     64.0800
   120 CA   ILE     11     50.4328     46.4942     66.7300
   128 CA   GLU     12     76.8669     60.6889     69.1500
   137 CA   VAL     13     87.4293     66.3608     71.1900
   144 CA   ASP     14     73.9004     59.0959     72.8600
   152 CA   ARG     15     56.0155     49.4921     74.0700
   163 CA   GLY     16     60.0007     51.6320     74.5800
   167 CA   ILE     17     50.7862     46.6840     74.8400
   175 CA   SER     18     63.8206     53.6833     74.5900
   181 CA   VAL     19     62.9445     53.2128     74.0200
   188 CA   ASN     20     63.0099     53.2479     73.1000
   196 CA   GLU     21     46.0071     44.1177     71.8800
   205 CA   LEU     22     30.0650     35.5571     70.4000
   213 CA   LEU     23     34.1649     37.7586     68.8100
   221 CA   GLU     24     24.2346     32.4263     67.2100
   230 CA   THR     25     13.7313     26.7861     65.7000
   237 CA   ILE     26     15.6772     27.8311     64.3400
   245 CA   LYS     27     19.2429     29.7458     63.2300
   254 CA   SER     28     12.9363     26.3592     62.4300
   260 CA   ALA     29     10.9485     25.2918     61.8700
   265 CA   LEU     30     18.1295     29.1479     61.4900
   273 CA   LEU     31     18.9068     29.5653     61.4000
   281 CA   THR     32     21.3527     30.8787     61.5600
   288 CA   ALA     33     26.6497     33.7231     61.8900
   293 CA   TYR     34     37.2542     39.4175     62.2900
   305 CA   ARG     35     37.6557     39.6332     62.7600
   316 CA   HIS     36     47.5332     44.9372     63.1900
   326 CA   THR     37     61.7378     52.5648     63.4800
   333 CA   GLN     38     81.1631     62.9959     63.6200
   342 CA   GLY     39     83.6325     64.3219     63.5000
   346 CA   HIS     40     62.5510     53.0015     63.2500
   356 CA   GLN     41     61.7602     52.5769     62.6500
   365 CA   THR     42     54.7583     48.8169     61.7400
   372 CA   ASP     43     40.7300     41.2840     60.6200
   380 CA   ALA     44     36.1012     38.7984     59.3100
   385 CA   ARG     45     33.4515     37.3756     57.9100
   396 CA   ILE     46     34.0598     37.7022     56.4200
   404 CA   GLU     47     43.4817     42.7616     54.9600
   413 CA   ILE     48     44.1702     43.1313     53.6200
   421 CA   ASP     49     64.5738     54.0877     52.4700
   429 CA   ARG     50     65.5639     54.6194     51.6000
   440 CA   LYS     51     87.6660     66.4878     51.1800
   449 CA   THR     52     84.4464     64.7590     51.1700
   456 CA   GLY     53     57.8685     50.4871     51.5000
   460 CA   VAL     54     68.3159     56.0972     51.9900
   467 CA   VAL     55     49.8402     46.1760     52.7400
   474 CA   ARG     56     61.5332     52.4550     53.7400
   485 CA   VAL     57     55.2476     49.0797     55.0400
   492 CA   ILE     58     54.2812     48.5608     56.4400
   500 CA   ALA     59     53.7299     48.2647     57.8800
   505 CA   ARG     60     55.2308     49.0707     59.2700
   516 CA   GLU     61     64.3789     53.9831     60.4200
   525 CA   THR     62     60.7850     52.0532     61.2800
   532 CA   ASP     63     66.7770     55.2708     61.8500
   540 CA   GLU     64     57.4303     50.2518     62.0600
   549 CA   ALA     65     62.5875     53.0211     61.8000
   554 CA   GLY     66     66.1833     54.9520     61.2600
   558 CA   ASN     67     69.7861     56.8866     60.5400
   566 CA   LEU     68     65.8633     54.7801     59.4700
   574 CA   ILE     69     79.1051     61.8908     58.0900
   582 CA   SER     70     83.0083     63.9867     56.4500
   588 CA   GLU     71     74.7730     59.5645     54.6700
   597 CA   TRP     72     83.5929     64.3006     52.7600
   611 CA   ASP     73     80.5970     62.6919     50.7900
   619 CA   ASP     74     80.8939     62.8513     48.8700
   627 CA   THR     75     78.4346     61.5308     47.0400
   634 CA   PRO     76     93.6307     69.6908     45.5600
   641 CA   GLU     77    107.6241     77.2050     44.0100
   650 CA   GLY     78     86.6919     65.9648     42.6800
   654 CA   PHE     79     62.8182     53.1450     41.5100
   665 CA   GLY     80     51.3204     46.9709     40.7500
   669 CA   ARG     81     56.4705     49.7364     40.1500
   680 CA   ILE     82     50.7337     46.6558     40.0200
   688 CA   ALA     83     34.6262     38.0063     40.2200
   693 CA   ALA     84     28.8548     34.9072     40.6100
   698 CA   THR     85     29.5148     35.2616     41.2100
   705 CA   THR     86     22.3931     31.4374     42.0800
   712 CA   ALA     87     12.1249     25.9236     43.2200
   717 CA   ARG     88     12.4835     26.1161     44.5200
   728 CA   GLN     89     13.7607     26.8020     46.1700
   737 CA   VAL     90     11.2699     25.4644     48.0400
   744 CA   MET     91      8.8043     24.1404     50.0400
   752 CA   LEU     92     11.1346     25.3917     52.1100
   760 CA   GLN     93     15.0926     27.5172     54.1900
   769 CA   ARG     94     17.5610     28.8426     56.1700
   780 CA   PHE     95     17.3491     28.7288     57.9300
   791 CA   ARG     96     21.0780     30.7312     59.3600
   802 CA   ASP     97     28.1546     34.5312     60.3900
   810 CA   ALA     98     35.5537     38.5044     61.0800
   815 CA   GLU     99     48.6348     45.5287     61.5300
   824 CA   SER    108     15.3718     27.6671     46.6100
   830 CA   THR    109     10.6419     25.1272     38.9900
   837 CA   ARG    110      9.8913     24.7241     37.2500
   848 CA   GLU    111      7.2269     23.2934     34.2400
   857 CA   GLY    112      8.7551     24.1140     29.0400
   861 CA   GLU    113      9.9689     24.7658     28.7500
   870 CA   ILE    114      8.9247     24.2051     25.9600
   878 CA   VAL    115      9.6959     24.6192     23.8400
   885 CA   ALA    116     11.9183     25.8126     21.9500
   890 CA   GLY    117     12.4101     26.0767     21.9500
   894 CA   VAL    118     15.3894     27.6765     21.7200
   901 CA   ILE    119     13.4696     26.6456     23.4300
   909 CA   GLN    120     17.1867     28.6416     30.4200
   918 CA   ARG    121     21.9539     31.2015     39.6700
   929 CA   ASP    122     20.4132     30.3742     40.5700
   937 CA   SER    123     26.4185     33.5990     41.1600
   943 CA   ARG    124     24.1052     32.3567     41.6300
   954 CA   ALA    125     16.0363     28.0239     34.7200
   959 CA   ASN    126     17.8517     28.9987     33.9800
   967 CA   ALA    127     24.7333     32.6941     35.4500
   972 CA   ARG    128     19.3182     29.7862     34.5600
   983 CA   GLY    129     14.7940     27.3568     33.5800
   987 CA   LEU    130      9.6030     24.5693     28.0700
   995 CA   VAL    131      8.4725     23.9623     24.2400
  1002 CA   VAL    132      8.8139     24.1456     22.8900
  1009 CA   VAL    133      8.7633     24.1184     22.4700
  1016 CA   ARG    134     12.2913     26.0129     24.0100
  1027 CA   ILE    135     11.6359     25.6610     23.2900
  1035 CA   GLY    136     16.8459     28.4586     25.9900
  1039 CA   THR    137     16.9656     28.5229     33.6600
  1046 CA   GLU    138     23.7025     32.1405     39.9900
  1055 CA   THR    139     25.5577     33.1367     37.7700
  1062 CA   LYS    140     22.7013     31.6029     32.2000
  1067 CA   ALA    141     17.9834     29.0694     29.0100
  1072 CA   SER    142     11.6269     25.6561     31.2800
  1078 CA   GLU    143      8.4320     23.9405     31.8000
  1087 CA   GLY    144      4.8413     22.0124     27.0000
  1091 CA   VAL    145      4.1640     21.6486     20.9700
  1098 CA   ILE    146      3.2349     21.1498     19.6600
  1106 CA   PRO    147      4.7745     21.9765     22.4200
  1113 CA   ALA    148      7.7995     23.6009     25.0500
  1118 CA   ALA    149      6.2277     22.7568     29.8600
  1123 CA   GLU    150      2.6005     20.8091     27.6500
  1132 CA   GLN    151      3.9359     21.5262     26.2500
  1141 CA   VAL    152      4.3023     21.7229     32.1800
  1148 CA   PRO    153      8.4094     23.9284     42.2700
  1155 CA   GLY    154     11.1128     25.3801     42.4800
  1159 CA   GLU    155      8.8177     24.1476     38.2600
  1168 CA   SER    156     13.1435     26.4705     36.5700
  1174 CA   TYR    157     12.2033     25.9656     28.8100
  1186 CA   GLU    158     19.1695     29.7064     34.0100
  1195 CA   HIS    159     21.2655     30.8319     35.0200
  1205 CA   GLY    160     23.5555     32.0616     30.6300
  1209 CA   ASN    161     17.9425     29.0475     29.8200
  1217 CA   ARG    162     16.0438     28.0279     26.3200
  1228 CA   LEU    163     10.2318     24.9070     25.7100
  1236 CA   ARG    164      7.9271     23.6694     25.5900
  1247 CA   CYS    165      4.0013     21.5613     24.4100
  1253 CA   TYR    166      3.4837     21.2834     23.1800
  1265 CA   VAL    167      3.5344     21.3106     24.4900
  1272 CA   VAL    168      3.0155     21.0319     28.4500
  1279 CA   GLY    169      3.7278     21.4144     31.9600
  1283 CA   VAL    170      4.8871     22.0370     38.4500
  1290 CA   THR    171      6.0048     22.6371     50.5800
  1297 CA   ARG    172      7.5160     23.4487     61.4900
  1308 CA   GLY    173      7.7346     23.5660     66.2500
  1312 CA   ALA    174     10.3709     24.9817     68.6600
  1317 CA   ARG    175     11.5051     25.5907     68.9300
  1328 CA   GLU    176      8.8195     24.1486     62.5600
  1337 CA   PRO    177      6.3581     22.8269     50.2900
  1344 CA   LEU    178      4.4563     21.8056     36.2100
  1352 CA   ILE    179      3.4828     21.2829     27.5600
  1360 CA   THR    180      2.1811     20.5839     23.6000
  1367 CA   LEU    181      1.8002     20.3793     22.2900
  1375 CA   SER    182      1.2285     20.0723     22.8000
  1381 CA   ARG    183      1.6753     20.3123     21.0100
  1392 CA   THR    184      1.4828     20.2089     24.2600
  1399 CA   HIS    185      2.2024     20.5953     24.3200
  1409 CA   PRO    186      4.2645     21.7027     23.9300
  1416 CA   ASN    187      6.3495     22.8223     22.5000
  1424 CA   LEU    188      4.7980     21.9891     23.5200
  1432 CA   VAL    189      6.7001     23.0105     24.3900
  1439 CA   ARG    190     11.2501     25.4538     26.6900
  1450 CA   LYS    191     12.1483     25.9361     28.0800
  1459 CA   LEU    192     12.5849     26.1706     21.4600
  1467 CA   PHE    193     17.1004     28.5953     21.1800
  1478 CA   SER    194     22.5395     31.5160     26.1900
  1484 CA   LEU    195     23.5580     32.0629     27.0200
  1492 CA   GLU    196     25.7240     33.2260     26.3100
  1501 CA   VAL    197     31.5205     36.3386     21.1500
  1508 CA   PRO    198     42.3816     42.1709     23.6300
  1515 CA   GLU    199     44.3763     43.2420     23.1700
  1524 CA   ILE    200     33.7858     37.5551     20.5200
  1532 CA   ALA    201     36.0073     38.7480     21.0100
  1537 CA   ASP    202     48.6255     45.5237     24.4400
  1545 CA   GLY    203     46.3974     44.3273     24.3000
  1549 CA   SER    204     52.8002     47.7655     24.9000
  1555 CA   VAL    205     40.7298     41.2839     22.9700
  1562 CA   GLU    206     33.3579     37.3253     22.8100
  1571 CA   ILE    207     23.2080     31.8750     25.5500
  1579 CA   VAL    208     24.9354     32.8026     23.2500
  1586 CA   ALA    209     17.2842     28.6940     21.7500
  1591 CA   VAL    210     10.6298     25.1207     22.2700
  1598 CA   ALA    211      8.2294     23.8317     22.2000
  1603 CA   ARG    212      4.6364     21.9023     21.1200
  1614 CA   GLU    213      4.3912     21.7706     25.5300
  1623 CA   ALA    214      2.7697     20.8999     26.4700
  1628 CA   GLY    215      4.1133     21.6214     28.1100
  1632 CA   HIS    216      4.9518     22.0717     26.8500
  1642 CA   ARG    217      4.8002     21.9903     23.8300
  1653 CA   SER    218      5.5131     22.3731     21.8500
  1659 CA   LYS    219      9.2922     24.4025     19.3200
  1668 CA   ILE    220     12.9028     26.3413     21.1800
  1676 CA   ALA    221     19.8837     30.0899     19.1100
  1681 CA   VAL    222     26.9306     33.8739     23.5200
  1688 CA   ARG    223     38.0437     39.8415     25.6200
  1699 CA   SER    224     48.7016     45.5646     28.4300
  1705 CA   ASN    225     59.4412     51.3316     31.6900
  1713 CA   VAL    226     69.4031     56.6809     35.4500
  1720 CA   ALA    227     78.5351     61.5847     38.7200
  1724 CA   GLY    228     74.9491     59.6591     38.0500
  1728 CA   LEU    229     61.3296     52.3456     35.5300
  1736 CA   ASN    230     49.0524     45.7530     32.6500
  1744 CA   ALA    231     38.8091     40.2525     28.5500
  1749 CA   LYS    232     30.5699     35.8282     28.1100
  1758 CA   GLY    233     36.4375     38.9790     26.3300
  1762 CA   ALA    234     37.8479     39.7364     27.2100
  1767 CA   CYS    235     26.6797     33.7392     26.3200
  1773 CA   ILE    236     25.8139     33.2743     28.5100
  1781 CA   GLY    237     34.6020     37.9933     33.0900
  1785 CA   PRO    238     42.6863     42.3345     39.1100
  1792 CA   MET    239     37.4011     39.4964     40.7900
  1800 CA   GLY    240     27.9077     34.3986     33.3100
  1804 CA   GLN    241     29.6010     35.3079     31.5600
  1813 CA   ARG    242     25.4616     33.0851     25.1500
  1824 CA   VAL    243     17.7149     28.9253     24.3600
  1831 CA   ARG    244     17.8385     28.9917     26.8200
  1842 CA   ASN    245     18.7582     29.4855     26.2700
  1850 CA   VAL    246     12.3870     26.0643     21.8700
  1857 CA   MET    247      9.8648     24.7099     24.6000
  1865 CA   SER    248     12.8813     26.3297     28.2500
  1871 CA   GLU    249     10.3433     24.9668     27.6600
  1880 CA   LEU    250      5.9621     22.6142     24.9800
  1888 CA   SER    251      8.1887     23.8099     28.9400
  1894 CA   GLY    252      8.7930     24.1343     26.4600
  1898 CA   GLU    253      5.4756     22.3530     24.8900
  1907 CA   LYS    254      6.7398     23.0319     26.6200
  1916 CA   ILE    255      8.2137     23.8233     26.0500
  1924 CA   ASP    256     11.1819     25.4171     25.2600
  1932 CA   ILE    257     16.3320     28.1827     23.7800
  1940 CA   ILE    258     19.9655     30.1338     22.4700
  1948 CA   ASP    259     28.7976     34.8765     24.7600
  1956 CA   TYR    260     31.8384     36.5093     23.4400
  1968 CA   ASP    261     41.4813     41.6874     26.1600
  1976 CA   ASP    262     50.4082     46.4810     31.9700
  1984 CA   ASP    263     51.7175     47.1841     29.1200
  1992 CA   PRO    264     43.3093     42.6690     26.8900
  1999 CA   ALA    265     43.3891     42.7119     24.0100
  2004 CA   ARG    266     40.2615     41.0324     23.8700
  2015 CA   PHE    267     32.5429     36.8876     20.4600
  2026 CA   VAL    268     28.8055     34.8808     18.9000
  2033 CA   ALA    269     29.0634     35.0193     20.8400
  2038 CA   ASN    270     25.6675     33.1957     20.0300
  2046 CA   ALA    271     19.3806     29.8197     20.1600
  2051 CA   LEU    272     18.0537     29.1072     20.2200
  2059 CA   SER    273     17.4700     28.7938     27.0700
  2065 CA   PRO    274     16.2271     28.1263     28.9600
  2072 CA   ALA    275     18.0283     29.0936     29.0300
  2077 CA   LYS    276     24.0642     32.3347     29.1700
  2086 CA   VAL    277     29.3447     35.1703     25.1900
  2093 CA   VAL    278     37.4622     39.5292     23.5000
  2100 CA   SER    279     42.8521     42.4235     23.2600
  2106 CA   VAL    280     42.8680     42.4321     22.3400
  2113 CA   SER    281     52.1329     47.4072     26.1900
  2119 CA   VAL    282     54.7640     48.8200     23.3000
  2126 CA   ILE    283     59.6482     51.4427     24.6400
  2134 CA   ASP    284     62.5292     52.9898     25.6300
  2142 CA   GLN    285     59.9573     51.6088     30.5000
  2151 CA   THR    286     61.7278     52.5595     27.1200
  2158 CA   ALA    287     52.9574     47.8499     21.9400
  2163 CA   ARG    288     44.4985     43.3076     20.0900
  2174 CA   ALA    289     44.8510     43.4969     19.0600
  2179 CA   ALA    290     42.0244     41.9791     21.5700
  2184 CA   ARG    291     42.5516     42.2621     22.3200
  2195 CA   VAL    292     35.8217     38.6483     17.7400
  2202 CA   VAL    293     37.3264     39.4563     16.5400
  2209 CA   VAL    294     30.6760     35.8852     19.0400
  2216 CA   PRO    295     30.9840     36.0506     23.8400
  2223 CA   ASP    296     32.5792     36.9071     29.1800
  2231 CA   PHE    297     28.3843     34.6546     30.0100
  2242 CA   GLN    298     23.0952     31.8144     31.2800
  2251 CA   LEU    299     24.7750     32.7164     27.6700
  2259 CA   SER    300     20.7666     30.5640     28.8400
  2265 CA   LEU    301     16.6500     28.3534     28.1700
  2273 CA   ALA    302     18.3925     29.2891     22.8600
  2278 CA   ILE    303     18.3126     29.2462     24.5700
  2286 CA   GLY    304     13.8626     26.8567     27.6200
  2290 CA   LYS    305     13.7529     26.7977     35.6100
  2299 CA   GLU    306     16.8070     28.4378     36.9600
  2308 CA   GLY    307     16.4850     28.2648     27.3800
  2312 CA   GLN    308     11.0576     25.3504     24.4500
  2321 CA   ASN    309     11.8798     25.7919     20.7900
  2329 CA   ALA    310     16.5912     28.3219     22.7200
  2334 CA   ARG    311     14.4657     27.1805     21.4700
  2345 CA   LEU    312     10.7838     25.2034     18.9600
  2353 CA   ALA    313     15.6020     27.7907     19.3100
  2358 CA   ALA    314     19.4903     29.8787     20.0900
  2363 CA   ARG    315     15.0152     27.4756     20.9800
  2374 CA   LEU    316     15.4218     27.6939     18.3400
  2382 CA   THR    317     23.0821     31.8074     19.2600
  2389 CA   GLY    318     25.3488     33.0246     20.2500
  2393 CA   TRP    319     30.5733     35.8300     20.7000
  2407 CA   ARG    320     32.0347     36.6148     20.8800
  2418 CA   ILE    321     30.5839     35.8357     24.1800
  2426 CA   ASP    322     35.8024     38.6379     23.8800
  2434 CA   ILE    323     31.4792     36.3165     23.2000
  2442 CA   ARG    324     37.1015     39.3355     24.3200
  2453 CA   GLY    325     36.4936     39.0091     23.2000
  2457 CA   ASP    326     41.9960     41.9638     25.3000
  2465 CA   ALA    327     46.5256     44.3962     36.0600
  2470 CA   PRO    328     52.9177     47.8286     49.4800
  2477 CA   PRO    329     59.5435     51.3865     59.4500

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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.