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***  3blh_a_vs_3lq5_a  ***

B-factor analysis for ID 22051215591366107

Overall B-factor prediction

Correlation= 0.174 for 291 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      8      1.7138    422.6794    115.5700
     9 CA   GLU      9      0.9770    271.1443     98.8800
    18 CA   CYS     10      0.2927    130.4060     75.5000
    24 CA   PRO     11      0.3033    132.5815     62.5000
    31 CA   PHE     12      0.2053    112.4371     55.2900
    42 CA   CYS     13      0.0827     87.2047     59.2800
    48 CA   ASP     14      0.0556     81.6410     56.5200
    56 CA   GLU     15      0.0517     80.8410     66.8600
    65 CA   VAL     16      0.0311     76.5984     57.1000
    72 CA   SER     17      0.0517     80.8407     59.7900
    78 CA   LYS     18      0.0473     79.9256     58.0000
    87 CA   TYR     19      0.0358     77.5695     58.7200
    99 CA   GLU     20      0.0498     80.4387     69.6500
   108 CA   LYS     21      0.0476     80.0037     70.8100
   117 CA   LEU     22      0.0625     83.0565     83.3700
   125 CA   ALA     23      0.0734     85.3048     89.9500
   130 CA   LYS     24      0.0811     86.8918     95.6400
   139 CA   ILE     25      0.0897     88.6549     99.2100
   147 CA   GLY     26      0.1174     94.3464    120.1300
   151 CA   GLN     27      0.0999     90.7480    128.9200
   160 CA   GLY     28      0.0772     86.0813    116.0400
   164 CA   THR     29      0.0813     86.9178    111.2200
   171 CA   PHE     30      0.0494     80.3744     98.7900
   182 CA   GLY     31      0.0587     82.2868     98.3200
   186 CA   GLU     32      0.0602     82.5884     91.4900
   195 CA   VAL     33      0.0453     79.5302     77.9800
   202 CA   PHE     34      0.0374     77.8884     67.5200
   213 CA   LYS     35      0.0333     77.0561     65.9600
   222 CA   ALA     36      0.0324     76.8693     59.3300
   227 CA   ARG     37      0.0405     78.5271     65.3100
   238 CA   HIS     38      0.0476     80.0031     57.4800
   248 CA   ARG     39      0.0737     85.3638     56.8600
   259 CA   LYS     40      0.1402     99.0454     57.7000
   268 CA   THR     41      0.1285     96.6234     59.3400
   275 CA   GLY     42      0.0743     85.4963     55.5600
   279 CA   GLN     43      0.0547     81.4520     63.1400
   288 CA   LYS     44      0.0328     76.9526     62.0600
   297 CA   VAL     45      0.0203     74.3832     62.7900
   304 CA   ALA     46      0.0191     74.1267     61.1600
   309 CA   LEU     47      0.0173     73.7699     56.2700
   317 CA   LYS     48      0.0214     74.6090     59.0500
   326 CA   LYS     49      0.0292     76.2046     65.4600
   335 CA   VAL     50      0.0349     77.3852     72.1500
   342 CA   GLU     55      0.3193    135.8792    107.9900
   351 CA   LYS     56      0.5033    173.7179     88.0600
   360 CA   GLU     57      0.3324    138.5641     56.2600
   369 CA   GLY     58      0.2891    129.6684     50.7800
   373 CA   PHE     59      0.0791     86.4715     45.2200
   384 CA   PRO     60      0.0590     82.3481     56.8500
   391 CA   ILE     61      0.0593     82.4050     41.4700
   399 CA   THR     62      0.0384     78.1122     54.9100
   406 CA   ALA     63      0.0263     75.6132     50.4800
   411 CA   LEU     64      0.0337     77.1340     51.6400
   419 CA   ARG     65      0.0207     74.4576     48.6300
   430 CA   GLU     66      0.0161     73.5122     49.7800
   439 CA   ILE     67      0.0175     73.8107     49.4000
   447 CA   LYS     68      0.0202     74.3650     47.9500
   456 CA   ILE     69      0.0143     73.1490     41.5000
   464 CA   LEU     70      0.0129     72.8651     43.3400
   472 CA   GLN     71      0.0192     74.1438     48.5500
   481 CA   LEU     72      0.0188     74.0704     39.3600
   489 CA   LEU     73      0.0141     73.0979     45.2200
   497 CA   LYS     74      0.0158     73.4629     47.4500
   506 CA   HIS     75      0.0175     73.8113     44.0600
   516 CA   GLU     76      0.0208     74.4782     52.6900
   525 CA   ASN     77      0.0117     72.6063     46.5800
   533 CA   VAL     78      0.0120     72.6751     40.8400
   540 CA   VAL     79      0.0128     72.8448     48.6700
   547 CA   ASN     80      0.0121     72.6936     43.6400
   555 CA   LEU     81      0.0140     73.0792     52.6700
   563 CA   ILE     82      0.0146     73.2178     51.1900
   571 CA   GLU     83      0.0197     74.2625     45.5100
   580 CA   ILE     84      0.0173     73.7592     53.0900
   588 CA   CYS     85      0.0245     75.2434     50.4800
   594 CA   ARG     86      0.0408     78.5901     56.6700
   605 CA   THR     87      0.0655     83.6760     84.6900
   612 CA   SER     98      0.0584     82.2179     90.1200
   618 CA   ILE     99      0.0319     76.7671     57.4300
   626 CA   TYR    100      0.0173     73.7657     54.8500
   638 CA   LEU    101      0.0133     72.9368     48.3000
   646 CA   VAL    102      0.0103     72.3287     52.9200
   653 CA   PHE    103      0.0129     72.8505     53.7100
   664 CA   ASP    104      0.0183     73.9626     63.4600
   672 CA   PHE    105      0.0215     74.6319     64.8500
   683 CA   CYS    106      0.0211     74.5534     70.3200
   689 CA   GLU    107      0.0333     77.0596     80.8600
   698 CA   HIS    108      0.0249     75.3256     80.5900
   708 CA   ASP    109      0.0193     74.1712     74.5600
   716 CA   LEU    110      0.0141     73.0978     65.6500
   724 CA   ALA    111      0.0187     74.0607     67.4500
   729 CA   GLY    112      0.0319     76.7681     73.6000
   733 CA   LEU    113      0.0264     75.6383     74.1100
   741 CA   LEU    114      0.0219     74.7079     82.0400
   749 CA   SER    115      0.0408     78.5923     92.9600
   755 CA   ASN    116      0.0681     84.2138    106.3400
   763 CA   VAL    117      0.0981     90.3734    111.9200
   770 CA   LEU    118      0.1299     96.9295    106.0100
   778 CA   VAL    119      0.0611     82.7619     91.8900
   785 CA   LYS    120      0.0545     81.4049    102.5300
   794 CA   PHE    121      0.0269     75.7311    101.8600
   805 CA   THR    122      0.0248     75.3055     88.9600
   812 CA   LEU    123      0.0169     73.6874     84.2000
   820 CA   SER    124      0.0186     74.0298     78.8600
   826 CA   GLU    125      0.0166     73.6192     87.0100
   835 CA   ILE    126      0.0107     72.4052     72.3600
   843 CA   LYS    127      0.0100     72.2570     77.2300
   852 CA   ARG    128      0.0114     72.5553     70.5900
   863 CA   VAL    129      0.0094     72.1328     65.1800
   870 CA   MET    130      0.0070     71.6416     66.7100
   878 CA   GLN    131      0.0088     72.0228     56.5900
   887 CA   MET    132      0.0091     72.0848     55.6500
   895 CA   LEU    133      0.0078     71.8124     55.4000
   903 CA   LEU    134      0.0078     71.8099     50.5000
   911 CA   ASN    135      0.0097     72.1951     43.9000
   919 CA   GLY    136      0.0096     72.1786     47.7700
   923 CA   LEU    137      0.0088     72.0070     48.3500
   931 CA   TYR    138      0.0134     72.9576     41.9100
   943 CA   TYR    139      0.0132     72.9228     39.9100
   955 CA   ILE    140      0.0112     72.5081     57.0500
   963 CA   HIS    141      0.0118     72.6396     48.7200
   973 CA   ARG    142      0.0243     75.1969     45.5400
   984 CA   ASN    143      0.0185     74.0167     45.6800
   992 CA   LYS    144      0.0197     74.2500     49.9400
  1001 CA   ILE    145      0.0131     72.8981     43.6100
  1009 CA   LEU    146      0.0098     72.2223     47.9800
  1017 CA   HIS    147      0.0094     72.1446     53.7300
  1027 CA   ARG    148      0.0098     72.2146     59.6600
  1038 CA   ASP    149      0.0107     72.4006     59.2800
  1046 CA   MET    150      0.0081     71.8702     61.6600
  1054 CA   LYS    151      0.0094     72.1416     76.1700
  1063 CA   ALA    152      0.0113     72.5294     74.9200
  1068 CA   ALA    153      0.0143     73.1556     72.5800
  1073 CA   ASN    154      0.0112     72.5128     63.0700
  1081 CA   VAL    155      0.0107     72.4059     53.5300
  1088 CA   LEU    156      0.0133     72.9375     60.3700
  1096 CA   ILE    157      0.0152     73.3281     76.4800
  1104 CA   THR    158      0.0232     74.9675     73.7600
  1111 CA   ARG    159      0.0335     77.1028     94.4400
  1122 CA   ASP    160      0.0568     81.8853     71.7700
  1130 CA   GLY    161      0.0286     76.0972     67.7800
  1134 CA   VAL    162      0.0188     74.0750     59.7300
  1141 CA   LEU    163      0.0134     72.9532     59.4200
  1149 CA   LYS    164      0.0113     72.5236     55.6000
  1158 CA   LEU    165      0.0101     72.2899     51.8500
  1166 CA   ALA    166      0.0111     72.4863     49.3800
  1171 CA   ASP    167      0.0117     72.6148     65.0400
  1179 CA   PHE    168      0.0121     72.6844     58.6900
  1190 CA   GLY    169      0.0148     73.2497     42.7000
  1194 CA   LEU    170      0.0146     73.2158     56.1600
  1202 CA   ALA    171      0.0130     72.8691     45.6700
  1207 CA   ARG    172      0.0156     73.4102     51.4600
  1218 CA   ALA    173      0.0181     73.9243     54.9400
  1223 CA   PHE    174      0.0239     75.1163     54.5800
  1234 CA   SER    175      0.0408     78.5967     98.0500
  1240 CA   LEU    176      0.1608    103.2689    136.5900
  1248 CA   PRO    182      0.1428     99.5671    132.5800
  1255 CA   ASN    183      0.0507     80.6372    103.6100
  1263 CA   ARG    184      0.0547     81.4511    100.5100
  1274 CA   TYR    185      0.0317     76.7205     89.3800
  1286 CA   ASN    187      0.0233     74.9946    100.5700
  1294 CA   ARG    188      0.0334     77.0802    122.3900
  1305 CA   VAL    189      0.0145     73.1874     88.4200
  1312 CA   VAL    190      0.0126     72.7932     82.2900
  1319 CA   THR    191      0.0162     73.5397     84.3800
  1326 CA   LEU    192      0.0162     73.5433     90.2800
  1334 CA   TRP    193      0.0142     73.1323     75.6300
  1348 CA   TYR    194      0.0092     72.0882     76.5400
  1360 CA   ARG    195      0.0096     72.1895     81.0200
  1371 CA   PRO    196      0.0075     71.7489     79.9900
  1378 CA   PRO    197      0.0092     72.0961     90.5600
  1385 CA   GLU    198      0.0101     72.2777     89.0500
  1394 CA   LEU    199      0.0123     72.7424     89.5500
  1402 CA   LEU    200      0.0144     73.1622     92.9400
  1410 CA   LEU    201      0.0196     74.2338     92.5400
  1418 CA   GLY    202      0.0266     75.6669    103.6400
  1422 CA   GLU    203      0.0252     75.3840     87.7800
  1431 CA   ARG    204      0.0258     75.5022     83.7700
  1442 CA   ASP    205      0.0270     75.7665     88.7200
  1450 CA   TYR    206      0.0196     74.2422     78.2300
  1462 CA   GLY    207      0.0113     72.5234     65.1600
  1466 CA   PRO    208      0.0086     71.9744     59.5000
  1473 CA   PRO    209      0.0069     71.6159     63.9800
  1480 CA   ILE    210      0.0065     71.5402     70.2300
  1488 CA   ASP    211      0.0062     71.4881     61.0300
  1496 CA   LEU    212      0.0052     71.2798     64.1700
  1504 CA   TRP    213      0.0050     71.2242     68.1300
  1518 CA   GLY    214      0.0063     71.5033     71.5000
  1522 CA   ALA    215      0.0056     71.3485     58.4400
  1527 CA   GLY    216      0.0048     71.1967     75.5500
  1531 CA   CYS    217      0.0061     71.4528     76.2600
  1537 CA   ILE    218      0.0065     71.5403     69.0700
  1545 CA   MET    219      0.0065     71.5420     72.0700
  1553 CA   ALA    220      0.0073     71.7094     81.9700
  1558 CA   GLU    221      0.0094     72.1382     84.1100
  1567 CA   MET    222      0.0090     72.0662     81.9300
  1575 CA   TRP    223      0.0124     72.7558     85.8000
  1589 CA   THR    224      0.0151     73.3078     98.1400
  1596 CA   ARG    225      0.0168     73.6591     95.5600
  1607 CA   SER    226      0.0202     74.3530    102.8500
  1613 CA   PRO    227      0.0149     73.2722     93.6400
  1620 CA   ILE    228      0.0131     72.8897     88.3100
  1628 CA   MET    229      0.0165     73.5907     94.7600
  1636 CA   GLN    230      0.0243     75.1956    112.3100
  1645 CA   GLY    231      0.0284     76.0511    122.4100
  1649 CA   ASN    232      0.0581     82.1451    125.0800
  1657 CA   THR    233      0.0433     79.1046    119.5500
  1664 CA   GLU    234      0.0300     76.3756    106.2000
  1673 CA   GLN    235      0.0455     79.5590    121.9700
  1682 CA   HIS    236      0.0361     77.6356    106.1200
  1692 CA   GLN    237      0.0185     74.0019    100.8200
  1701 CA   LEU    238      0.0180     73.8980    109.9100
  1709 CA   ALA    239      0.0243     75.2040    110.8000
  1714 CA   LEU    240      0.0212     74.5575    103.1500
  1722 CA   ILE    241      0.0135     72.9913    101.7200
  1730 CA   SER    242      0.0176     73.8235    111.3700
  1736 CA   GLN    243      0.0229     74.9210    117.5200
  1745 CA   LEU    244      0.0172     73.7440     99.1000
  1753 CA   CYS    245      0.0144     73.1596    108.4700
  1759 CA   GLY    246      0.0214     74.6116    115.7500
  1763 CA   SER    247      0.0258     75.5156    130.9500
  1769 CA   ILE    248      0.0238     75.1061    121.0200
  1777 CA   THR    249      0.0449     79.4353    134.0000
  1784 CA   PRO    250      0.0525     81.0106    124.2200
  1791 CA   GLU    251      0.0807     86.7958    121.7000
  1800 CA   VAL    252      0.0425     78.9479    105.4700
  1807 CA   TRP    253      0.0299     76.3601    103.5600
  1821 CA   PRO    254      0.0515     80.8048    107.9700
  1828 CA   ASN    255      0.0926     89.2589    122.5500
  1836 CA   VAL    256      0.0464     79.7439    110.7400
  1843 CA   ASP    257      0.0860     87.8884    142.5500
  1851 CA   ASN    258      0.1247     95.8551    130.8100
  1859 CA   TYR    259      0.1407     99.1476    131.6900
  1871 CA   LEU    267      0.0530     81.1026    132.1200
  1879 CA   VAL    268      0.0526     81.0203    157.9400
  1886 CA   LYS    269      0.0986     90.4783    151.0300
  1895 CA   GLY    270      0.1155     93.9574    151.4800
  1899 CA   GLN    271      0.0450     79.4625    152.7400
  1908 CA   LYS    272      0.0501     80.5155    143.2100
  1917 CA   ARG    273      0.0255     75.4559    131.3400
  1928 CA   LYS    274      0.0287     76.1035    109.4800
  1937 CA   VAL    275      0.0182     73.9426     90.2700
  1944 CA   LYS    276      0.0192     74.1529    104.4300
  1953 CA   ASP    277      0.0328     76.9522    118.8800
  1961 CA   ARG    278      0.0260     75.5626    108.9500
  1972 CA   LEU    279      0.0193     74.1813     90.6400
  1980 CA   LYS    280      0.0321     76.8159    103.4600
  1989 CA   ALA    281      0.0340     77.2010    112.0200
  1994 CA   TYR    282      0.0261     75.5806     91.1400
  2006 CA   VAL    283      0.0221     74.7424    102.7000
  2013 CA   ARG    284      0.0373     77.8765    104.6500
  2024 CA   ASP    285      0.0211     74.5406     87.2400
  2032 CA   PRO    286      0.0236     75.0591     90.7300
  2039 CA   TYR    287      0.0166     73.6181     90.5700
  2051 CA   ALA    288      0.0114     72.5513     86.1700
  2056 CA   LEU    289      0.0132     72.9293     91.5400
  2064 CA   ASP    290      0.0141     73.1097     83.0800
  2072 CA   LEU    291      0.0083     71.9212     73.1100
  2080 CA   ILE    292      0.0073     71.7167     75.0300
  2088 CA   ASP    293      0.0093     72.1270     92.4500
  2096 CA   LYS    294      0.0090     72.0636     84.3300
  2105 CA   LEU    295      0.0054     71.3101     69.1600
  2113 CA   LEU    296      0.0057     71.3679     83.9000
  2121 CA   VAL    297      0.0087     71.9980     79.4400
  2128 CA   LEU    298      0.0087     71.9904     79.4100
  2136 CA   ASP    299      0.0139     73.0644     86.9500
  2144 CA   PRO    300      0.0125     72.7713     81.4000
  2151 CA   ALA    301      0.0319     76.7574     83.4700
  2156 CA   GLN    302      0.0295     76.2688     84.9900
  2165 CA   ARG    303      0.0082     71.8917     73.8100
  2176 CA   ILE    304      0.0088     72.0161     64.8300
  2184 CA   ASP    305      0.0117     72.6137     62.3400
  2192 CA   SER    306      0.0093     72.1244     62.6100
  2198 CA   ASP    307      0.0200     74.3262     62.1100
  2206 CA   ASP    308      0.0167     73.6422     72.1700
  2214 CA   ALA    309      0.0103     72.3299     62.0000
  2219 CA   LEU    310      0.0114     72.5548     62.5300
  2227 CA   ASN    311      0.0220     74.7373     69.3000
  2235 CA   HIS    312      0.0158     73.4630     71.1100
  2245 CA   ASP    313      0.0221     74.7532     85.2900
  2253 CA   PHE    314      0.0135     72.9818     78.8500
  2264 CA   PHE    315      0.0155     73.3908     71.6200
  2275 CA   TRP    316      0.0274     75.8441     79.5200
  2289 CA   SER    317      0.0340     77.2022     86.1200
  2295 CA   ASP    318      0.0515     80.7991     99.7400
  2303 CA   PRO    319      0.0352     77.4520     83.9900
  2310 CA   MET    320      0.0302     76.4239     79.5700
  2318 CA   PRO    321      0.0185     74.0173     82.7100
  2325 CA   SER    322      0.0253     75.4003     84.3600
  2331 CA   ASP    323      0.0373     77.8711     93.0500
  2339 CA   LEU    324      0.0312     76.6237     97.3200
  2347 CA   LYS    325      0.1102     92.8703    128.2900

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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.