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B-factor analysis for ID 22022820254074740

Overall B-factor prediction

Correlation= 0.545 for 332 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   GLY      3      0.1495     81.9408     37.8100
     6 CA   PRO      4      0.0417     32.7838     35.9300
    13 CA   VAL      5      0.0310     27.9427     26.6800
    20 CA   PRO      6      0.0292     27.1105     23.1200
    27 CA   SER      7      0.0123     19.4116     20.2100
    33 CA   ARG      8      0.0113     18.9521     20.7900
    44 CA   ALA      9      0.0090     17.8902     17.4700
    49 CA   ARG     10      0.0099     18.3058     21.7400
    60 CA   VAL     11      0.0104     18.5335     19.6200
    67 CA   TYR     12      0.0091     17.9412     23.9200
    79 CA   THR     13      0.0132     19.8309     24.9000
    86 CA   ASP     14      0.0158     21.0210     28.4500
    95 CA   VAL     15      0.0122     19.3728     26.3900
    96 CA   VAL     15      0.0121     19.3310     26.1000
   108 CA   ASN     16      0.0113     18.9403     29.2700
   116 CA   THR     17      0.0284     26.7628     35.6200
   123 CA   HIS     18      0.0401     32.0918     34.2500
   133 CA   ARG     19      0.0242     24.8205     32.6800
   144 CA   PRO     20      0.0360     30.2067     37.4200
   151 CA   ARG     21      0.0397     31.8953     39.3900
   162 CA   GLU     22      0.0370     30.6485     38.0500
   171 CA   TYR     23      0.0160     21.1132     28.5800
   183 CA   TRP     24      0.0136     20.0175     25.9200
   197 CA   ASP     25      0.0203     23.0368     30.3800
   205 CA   TYR     26      0.0153     20.7662     28.3400
   217 CA   GLU     27      0.0302     27.5534     38.4700
   226 CA   SER     28      0.0368     30.5549     37.8100
   232 CA   HIS     29      0.0252     25.3057     31.7000
   242 CA   VAL     30      0.0417     32.8134     31.8700
   249 CA   VAL     31      0.0276     26.3929     32.5700
   256 CA   GLU     32      0.0428     33.3225     43.7800
   265 CA   TRP     33      0.0338     29.2059     28.9300
   279 CA   GLY     34      0.0396     31.8572     26.8700
   283 CA   ASN     35      0.0534     38.1524     28.8500
   291 CA   GLN     36      0.0402     32.1250     25.3500
   300 CA   ASP     37      0.0618     41.9784     22.6400
   308 CA   ASP     38      0.0455     34.5211     22.7000
   316 CA   TYR     39      0.0321     28.4412     24.0600
   328 CA   GLN     40      0.0453     34.4312     31.0300
   337 CA   LEU     41      0.0410     32.4706     24.9700
   345 CA   VAL     42      0.0547     38.7438     26.2700
   352 CA   ARG     43      0.0668     44.2171     30.5100
   363 CA   LYS     44      0.0597     40.9881     27.3100
   372 CA   LEU     45      0.0587     40.5714     26.9900
   380 CA   GLY     46      0.0662     43.9538     31.7300
   384 CA   ARG     47      0.0714     46.3257     34.5600
   395 CA   GLY     48      0.0830     51.6131     37.5100
   399 CA   LYS     49      0.0967     57.8755     37.7800
   408 CA   TYR     50      0.0362     30.2870     29.1300
   420 CA   SER     51      0.0326     28.6788     21.5800
   426 CA   GLU     52      0.0346     29.5555     25.3700
   435 CA   VAL     53      0.0294     27.1772     22.4300
   442 CA   PHE     54      0.0300     27.4556     23.0500
   453 CA   GLU     55      0.0323     28.4977     24.0600
   462 CA   ALA     56      0.0293     27.1627     24.7900
   467 CA   ILE     57      0.0383     31.2356     26.2000
   475 CA   ASN     58      0.0394     31.7708     26.2400
   483 CA   ILE     59      0.0712     46.2591     28.8100
   491 CA   THR     60      0.0994     59.0799     35.1900
   498 CA   ASN     61      0.1168     67.0155     39.8200
   506 CA   ASN     62      0.1005     59.6005     38.9800
   514 CA   GLU     63      0.0633     42.6433     41.4800
   523 CA   LYS     64      0.0377     30.9786     32.7200
   532 CA   VAL     65      0.0188     22.3625     22.4100
   539 CA   VAL     66      0.0156     20.8955     23.2600
   546 CA   VAL     67      0.0137     20.0426     20.5600
   553 CA   LYS     68      0.0126     19.5646     17.8100
   562 CA   ILE     69      0.0190     22.4525     18.5900
   570 CA   LEU     70      0.0205     23.1432     23.6800
   578 CA   LYS     71      0.0362     30.2834     31.3900
   587 CA   PRO     72      0.0488     36.0527     42.4800
   594 CA   VAL     73      0.0424     33.1199     55.2300
   601 CA   LYS     74      0.0513     37.1986     59.8700
   610 CA   LYS     75      0.0315     28.1555     61.6900
   619 CA   LYS     76      0.0247     25.0467     52.7600
   628 CA   LYS     77      0.0183     22.1246     40.3600
   637 CA   ILE     78      0.0140     20.1938     26.6400
   645 CA   LYS     79      0.0129     19.6601     25.5500
   654 CA   ARG     80      0.0096     18.1935     22.8200
   665 CA   GLU     81      0.0077     17.3017     17.7200
   674 CA   ILE     82      0.0074     17.1767     18.7600
   682 CA   LYS     83      0.0086     17.7114     21.9700
   691 CA   ILE     84      0.0070     17.0148     17.0200
   699 CA   LEU     85      0.0068     16.9076     16.1500
   707 CA   GLU     86      0.0087     17.7502     23.2100
   716 CA   ASN     87      0.0082     17.5348     21.6000
   724 CA   LEU     88      0.0077     17.3049     18.4600
   732 CA   ARG     89      0.0100     18.3427     21.9100
   743 CA   GLY     90      0.0152     20.7398     22.9700
   747 CA   GLY     91      0.0103     18.5167     20.6000
   751 CA   PRO     92      0.0105     18.5958     16.9800
   758 CA   ASN     93      0.0080     17.4381     18.9200
   766 CA   ILE     94      0.0076     17.2695     17.0300
   774 CA   ILE     95      0.0082     17.5332     16.0800
   782 CA   THR     96      0.0089     17.8466     17.5000
   789 CA   LEU     97      0.0095     18.1499     16.8100
   797 CA   ALA     98      0.0119     19.2372     21.8900
   802 CA   ASP     99      0.0160     21.1116     21.1300
   810 CA   ILE    100      0.0133     19.8645     20.6800
   818 CA   VAL    101      0.0210     23.3499     20.2200
   825 CA   LYS    102      0.0280     26.5421     22.9400
   834 CA   ASP    103      0.0363     30.3304     20.2000
   842 CA   PRO    104      0.0728     46.9789     24.8800
   849 CA   VAL    105      0.1141     65.7940     20.9600
   856 CA   SER    106      0.0729     47.0398     22.3600
   862 CA   ARG    107      0.0735     47.3074     25.6800
   873 CA   THR    108      0.0375     30.8776     24.0100
   880 CA   PRO    109      0.0177     21.8518     25.7200
   887 CA   ALA    110      0.0147     20.4912     18.7300
   892 CA   LEU    111      0.0088     17.8111     17.7500
   900 CA   VAL    112      0.0099     18.3110     17.5700
   907 CA   PHE    113      0.0092     18.0047     18.5700
   918 CA   GLU    114      0.0115     19.0527     23.4100
   927 CA   HIS    115      0.0171     21.6041     33.4900
   937 CA   VAL    116      0.0158     21.0132     39.7000
   944 CA   ASN    117      0.0261     25.7049     51.6600
   952 CA   ASN    118      0.0218     23.7496     51.6700
   960 CA   THR    119      0.0282     26.6619     54.1600
   967 CA   ASP    120      0.0317     28.2527     55.5900
   975 CA   PHE    121      0.0209     23.3048     49.7300
   986 CA   LYS    122      0.0231     24.3246     57.9800
   995 CA   GLN    123      0.0326     28.6406     60.0300
  1004 CA   LEU    124      0.0208     23.2691     47.3400
  1012 CA   TYR    125      0.0156     20.8969     46.2700
  1024 CA   GLN    126      0.0256     25.4795     55.2700
  1033 CA   THR    127      0.0236     24.5450     51.4600
  1040 CA   LEU    128      0.0155     20.8858     38.2400
  1048 CA   THR    129      0.0152     20.7477     27.9200
  1055 CA   ASP    130      0.0124     19.4448     26.4900
  1063 CA   TYR    131      0.0135     19.9418     24.2100
  1075 CA   ASP    132      0.0121     19.3119     25.8200
  1083 CA   ILE    133      0.0088     17.8146     21.8300
  1091 CA   ARG    134      0.0084     17.6296     23.0800
  1102 CA   PHE    135      0.0093     18.0461     20.3300
  1113 CA   TYR    136      0.0085     17.6695     19.4000
  1125 CA   MET    137      0.0064     16.7315     17.6800
  1133 CA   TYR    138      0.0071     17.0449     16.8600
  1145 CA   GLU    139      0.0071     17.0510     17.9300
  1154 CA   ILE    140      0.0067     16.8446     18.2300
  1162 CA   LEU    141      0.0069     16.9523     16.2200
  1170 CA   LYS    142      0.0080     17.4613     19.0100
  1179 CA   ALA    143      0.0064     16.7382     19.9300
  1184 CA   LEU    144      0.0057     16.4188     16.4700
  1192 CA   ASP    145      0.0085     17.6582     17.8100
  1200 CA   TYR    146      0.0074     17.1749     17.8800
  1212 CA   CYS    147      0.0063     16.6657     18.4600
  1218 CA   HIS    148      0.0060     16.5256     15.9600
  1228 CA   SER    149      0.0087     17.7783     18.0000
  1234 CA   MET    150      0.0079     17.3946     21.9900
  1242 CA   GLY    151      0.0064     16.7210     21.4100
  1246 CA   ILE    152      0.0057     16.4159     18.0400
  1254 CA   MET    153      0.0050     16.0610     15.4600
  1262 CA   HIS    154      0.0050     16.1033     14.8400
  1272 CA   ARG    155      0.0060     16.5217     16.1400
  1283 CA   ASP    156      0.0065     16.7508     11.5000
  1291 CA   VAL    157      0.0059     16.5074     13.0400
  1298 CA   LYS    158      0.0070     16.9988     14.5800
  1307 CA   PRO    159      0.0099     18.3142     17.1500
  1314 CA   HIS    160      0.0112     18.8950     19.6000
  1324 CA   ASN    161      0.0079     17.4238     14.8800
  1332 CA   VAL    162      0.0080     17.4529     17.2500
  1339 CA   MET    163      0.0112     18.9044     18.7700
  1347 CA   ILE    164      0.0114     19.0033     22.6600
  1355 CA   ASP    165      0.0184     22.1673     32.9300
  1363 CA   HIS    166      0.0172     21.6340     34.5600
  1373 CA   GLU    167      0.0538     38.3340     48.4200
  1382 CA   HIS    168      0.0505     36.7904     47.7300
  1392 CA   ARG    169      0.0167     21.4213     37.1500
  1403 CA   LYS    170      0.0169     21.4976     31.8300
  1412 CA   LEU    171      0.0091     17.9369     16.8600
  1420 CA   ARG    172      0.0084     17.6221     13.7900
  1431 CA   LEU    173      0.0067     16.8504     15.6700
  1439 CA   ILE    174      0.0071     17.0244     17.5300
  1447 CA   ASP    175      0.0065     16.7566     15.0500
  1455 CA   TRP    176      0.0060     16.5219     13.7500
  1469 CA   GLY    177      0.0079     17.4018     17.8000
  1473 CA   LEU    178      0.0077     17.3038     17.2900
  1481 CA   ALA    179      0.0067     16.8428     17.2300
  1486 CA   GLU    180      0.0065     16.7595     18.1100
  1495 CA   PHE    181      0.0067     16.8609     15.8200
  1506 CA   TYR    182      0.0064     16.7053     18.2600
  1518 CA   HIS    183      0.0107     18.6971     21.9400
  1528 CA   PRO    184      0.0138     20.0975     23.7600
  1535 CA   GLY    185      0.0152     20.7379     25.7300
  1539 CA   GLN    186      0.0143     20.3166     29.2800
  1548 CA   GLU    187      0.0145     20.4243     26.8000
  1557 CA   TYR    188      0.0134     19.9074     19.5100
  1569 CA   ASN    189      0.0174     21.7326     17.7000
  1577 CA   VAL    190      0.0126     19.5430     18.7400
  1584 CA   ARG    191      0.0220     23.8494     22.7000
  1595 CA   VAL    192      0.0123     19.4191     21.1400
  1602 CA   ALA    193      0.0088     17.8173     19.7800
  1607 CA   SER    194      0.0099     18.3332     20.6300
  1608 CA   SER    194      0.0099     18.3303     20.4800
  1616 CA   ARG    195      0.0144     20.3823     19.7300
  1627 CA   TYR    196      0.0106     18.6308     18.0700
  1639 CA   PHE    197      0.0063     16.6725     13.1100
  1650 CA   LYS    198      0.0065     16.7722     16.4900
  1659 CA   GLY    199      0.0053     16.2289     14.5600
  1663 CA   PRO    200      0.0054     16.2767     14.1900
  1670 CA   GLU    201      0.0060     16.5408     15.2900
  1679 CA   LEU    202      0.0074     17.1875     12.6500
  1687 CA   LEU    203      0.0093     18.0186     15.6600
  1695 CA   VAL    204      0.0102     18.4690     17.7900
  1702 CA   ASP    205      0.0140     20.2019     24.5600
  1710 CA   TYR    206      0.0108     18.7462     16.3800
  1722 CA   GLN    207      0.0128     19.6512     20.2900
  1731 CA   MET    208      0.0105     18.6019     18.5100
  1739 CA   TYR    209      0.0063     16.6708     16.2200
  1751 CA   ASP    210      0.0058     16.4614     17.0500
  1759 CA   TYR    211      0.0046     15.8806     11.2700
  1771 CA   SER    212      0.0046     15.9190     13.0700
  1777 CA   LEU    213      0.0041     15.6573     14.0400
  1785 CA   ASP    214      0.0041     15.6889     14.4600
  1793 CA   MET    215      0.0039     15.5694     13.8200
  1801 CA   TRP    216      0.0036     15.4332     13.9200
  1815 CA   SER    217      0.0042     15.7390     11.1100
  1821 CA   LEU    218      0.0041     15.6645     12.3900
  1829 CA   GLY    219      0.0043     15.7492      9.6200
  1833 CA   CYS    220      0.0047     15.9301     13.7500
  1839 CA   MET    221      0.0050     16.0736     14.6400
  1847 CA   LEU    222      0.0046     15.8906     16.2100
  1855 CA   ALA    223      0.0065     16.7423     15.8900
  1860 CA   SER    224      0.0078     17.3393     15.6400
  1866 CA   MET    225      0.0077     17.3064     19.4100
  1874 CA   ILE    226      0.0080     17.4368     16.0200
  1882 CA   PHE    227      0.0109     18.7760     20.1200
  1893 CA   ARG    228      0.0152     20.7155     23.8400
  1904 CA   LYS    229      0.0134     19.9250     24.9100
  1913 CA   GLU    230      0.0125     19.5070     31.9500
  1922 CA   PRO    231      0.0124     19.4511     23.9500
  1929 CA   PHE    232      0.0096     18.1564     18.2400
  1940 CA   PHE    233      0.0099     18.3334     15.2300
  1951 CA   HIS    234      0.0158     21.0052     21.2500
  1961 CA   GLY    235      0.0192     22.5625     21.1800
  1965 CA   HIS    236      0.0362     30.3084     28.7100
  1975 CA   ASP    237      0.0267     25.9505     19.4800
  1983 CA   ASN    238      0.0202     23.0076     22.7500
  1991 CA   TYR    239      0.0260     25.6614     20.7800
  2003 CA   ASP    240      0.0217     23.6772     18.9000
  2011 CA   GLN    241      0.0118     19.1697     16.8700
  2020 CA   LEU    242      0.0100     18.3529     12.7800
  2028 CA   VAL    243      0.0152     20.7232     14.8000
  2035 CA   ARG    244      0.0141     20.2078     14.1500
  2046 CA   ILE    245      0.0086     17.7101     12.0400
  2054 CA   ALA    246      0.0103     18.4859     17.3300
  2059 CA   LYS    247      0.0150     20.6475     16.3400
  2068 CA   VAL    248      0.0131     19.7556     16.9700
  2075 CA   LEU    249      0.0101     18.3940     13.6100
  2076 CA   LEU    249      0.0101     18.3944     14.0900
  2088 CA   GLY    250      0.0141     20.2267     14.8100
  2092 CA   THR    251      0.0176     21.8267     15.3200
  2099 CA   GLU    252      0.0277     26.4333     17.1600
  2108 CA   ASP    253      0.0160     21.0711     14.4400
  2116 CA   LEU    254      0.0119     19.2126     15.0400
  2124 CA   TYR    255      0.0197     22.7754     18.7700
  2136 CA   ASP    256      0.0234     24.4434     20.4200
  2144 CA   TYR    257      0.0125     19.5192     18.6000
  2156 CA   ILE    258      0.0147     20.4882     15.8600
  2164 CA   ASP    259      0.0252     25.3041     17.5900
  2172 CA   LYS    260      0.0227     24.1421     21.4000
  2181 CA   TYR    261      0.0188     22.3828     22.4700
  2193 CA   ASN    262      0.0308     27.8380     27.6600
  2201 CA   ILE    263      0.0238     24.6353     27.9900
  2209 CA   GLU    264      0.0427     33.2649     31.0500
  2218 CA   LEU    265      0.0296     27.3097     30.3600
  2226 CA   ASP    266      0.0403     32.1762     29.3500
  2234 CA   PRO    267      0.0670     44.3473     24.7900
  2241 CA   ARG    268      0.0574     39.9767     30.6200
  2252 CA   PHE    269      0.0349     29.7098     27.4400
  2263 CA   ASN    270      0.0617     41.8957     33.2100
  2271 CA   ASP    271      0.0962     57.6429     38.5000
  2279 CA   ILE    272      0.0510     37.0313     28.2700
  2287 CA   LEU    273      0.0294     27.1928     21.9700
  2295 CA   GLY    274      0.0402     32.1001     21.0200
  2299 CA   ARG    275      0.0538     38.2937     21.2300
  2310 CA   HIS    276      0.0283     26.6772     17.5700
  2320 CA   SER    277      0.0267     25.9512     16.8600
  2326 CA   ARG    278      0.0191     22.5097     16.3500
  2337 CA   LYS    279      0.0235     24.5008     15.4800
  2346 CA   ARG    280      0.0313     28.0531     21.6900
  2357 CA   TRP    281      0.0134     19.9074     20.6200
  2371 CA   GLU    282      0.0241     24.7883     25.3400
  2380 CA   ARG    283      0.0297     27.3209     27.3300
  2391 CA   PHE    284      0.0215     23.6188     20.2800
  2402 CA   VAL    285      0.0276     26.3850     21.7000
  2409 CA   HIS    286      0.0391     31.6155     22.4300
  2419 CA   SER    287      0.0769     48.8337     26.1600
  2425 CA   GLU    288      0.0580     40.2217     26.0800
  2434 CA   ASN    289      0.0227     24.1378     20.5200
  2442 CA   GLN    290      0.0307     27.8098     22.5900
  2451 CA   HIS    291      0.0263     25.7948     25.9000
  2461 CA   LEU    292      0.0151     20.6850     23.8500
  2469 CA   VAL    293      0.0142     20.2796     23.9800
  2476 CA   SER    294      0.0153     20.7953     24.1000
  2482 CA   PRO    295      0.0263     25.7765     26.0800
  2489 CA   GLU    296      0.0147     20.5227     20.6100
  2498 CA   ALA    297      0.0092     18.0084     18.4900
  2503 CA   LEU    298      0.0100     18.3663     20.5200
  2511 CA   ASP    299      0.0116     19.0696     20.2900
  2519 CA   PHE    300      0.0077     17.3318     15.7000
  2530 CA   LEU    301      0.0062     16.6286     16.0600
  2538 CA   ASP    302      0.0067     16.8590     17.9000
  2546 CA   LYS    303      0.0065     16.7490     14.8400
  2555 CA   LEU    304      0.0049     16.0199     12.4800
  2563 CA   LEU    305      0.0044     15.8060     11.4000
  2571 CA   ARG    306      0.0051     16.1193     19.8800
  2582 CA   TYR    307      0.0057     16.4115     15.2300
  2594 CA   ASP    308      0.0066     16.8050     13.9700
  2602 CA   HIS    309      0.0061     16.5912     15.2900
  2612 CA   GLN    310      0.0077     17.3172     20.1000
  2621 CA   SER    311      0.0070     16.9957     18.0200
  2627 CA   ARG    312      0.0060     16.5478     14.5600
  2638 CA   LEU    313      0.0070     17.0145     14.7000
  2646 CA   THR    314      0.0077     17.2898     15.4400
  2653 CA   ALA    315      0.0081     17.5042     15.3300
  2658 CA   ARG    316      0.0133     19.8413     23.2900
  2669 CA   GLU    317      0.0120     19.2532     24.9600
  2678 CA   ALA    318      0.0093     18.0486     15.8400
  2683 CA   MET    319      0.0101     18.4204     19.8300
  2684 CA   MET    319      0.0101     18.4279     19.6100
  2696 CA   GLU    320      0.0173     21.6636     25.2200
  2705 CA   HIS    321      0.0132     19.8306     22.0400
  2715 CA   PRO    322      0.0157     20.9752     24.7400
  2722 CA   TYR    323      0.0100     18.3736     20.4100
  2734 CA   PHE    324      0.0106     18.6544     20.2600
  2745 CA   TYR    325      0.0246     25.0096     23.2600
  2757 CA   THR    326      0.0267     25.9492     25.6100
  2764 CA   VAL    327      0.0205     23.1352     19.3500
  2771 CA   VAL    328      0.0388     31.5041     30.9900
  2778 CA   LYS    329      0.0679     44.7568     48.6800
  2787 CA   ASP    330      0.1394     77.3369     65.3500

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).
Last modification: October 18th, 2018.