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***  2HAD_3um9  ***

B-factor analysis for ID 21082211551169428

Overall B-factor prediction

Correlation= 0.419 for 226 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      0      0.2467     68.8796     27.7900
     6 CA   MET      1      0.1138     43.7007     27.3000
    14 CA   HIS      2      0.0999     41.0691     23.6000
    24 CA   ALA      3      0.0716     35.7013     21.7500
    29 CA   ILE      4      0.0187     25.6859     23.1700
    37 CA   LYS      5      0.0201     25.9564     26.4200
    46 CA   ALA      6      0.0084     23.7443     25.3100
    51 CA   VAL      7      0.0063     23.3349     22.9200
    58 CA   VAL      8      0.0038     22.8594     21.2800
    65 CA   PHE      9      0.0044     22.9690     24.2500
    76 CA   ASP     10      0.0050     23.0984     26.8900
    84 CA   LEU     11      0.0052     23.1299     26.2800
    92 CA   TYR     12      0.0062     23.3192     27.3000
   104 CA   GLY     13      0.0079     23.6351     28.4400
   108 CA   THR     14      0.0075     23.5622     25.2100
   115 CA   LEU     15      0.0070     23.4636     21.4700
   123 CA   TYR     16      0.0090     23.8517     21.2400
   135 CA   ASP     17      0.0116     24.3513     24.2500
   143 CA   VAL     18      0.0125     24.5077     26.7500
   150 CA   TYR     19      0.0142     24.8292     27.9700
   162 CA   SER     20      0.0156     25.1007     28.3500
   168 CA   VAL     21      0.0114     24.3058     28.9000
   175 CA   ARG     22      0.0208     26.0832     32.7000
   186 CA   THR     23      0.0338     28.5469     34.4000
   193 CA   SER     24      0.0241     26.7021     34.1800
   199 CA   CYS     25      0.0186     25.6623     34.3300
   205 CA   GLU     26      0.0342     28.6173     36.9600
   214 CA   ARG     27      0.0495     31.5271     38.1400
   225 CA   ILE     28      0.0363     29.0210     34.8200
   233 CA   PHE     29      0.0369     29.1291     28.5400
   244 CA   PRO     30      0.0747     36.2999     30.8700
   251 CA   GLY     31      0.0915     39.4844     33.9100
   255 CA   GLN     32      0.0399     29.6967     35.6700
   264 CA   GLY     33      0.0279     27.4295     36.1000
   268 CA   GLU     34      0.0362     29.0091     37.1600
   277 CA   MET     35      0.0342     28.6323     33.9900
   285 CA   VAL     36      0.0160     25.1672     27.6800
   292 CA   SER     37      0.0129     24.5797     27.8800
   298 CA   LYS     38      0.0209     26.1066     27.9300
   307 CA   MET     39      0.0168     25.3319     24.7200
   315 CA   TRP     40      0.0083     23.7132     21.8100
   329 CA   ARG     41      0.0084     23.7363     21.2800
   340 CA   GLN     42      0.0173     25.4271     20.6100
   349 CA   LYS     43      0.0133     24.6660     21.2300
   358 CA   GLN     44      0.0078     23.6181     19.6700
   367 CA   LEU     45      0.0104     24.1163     18.4800
   375 CA   GLU     46      0.0162     25.2157     19.3100
   384 CA   TYR     47      0.0128     24.5660     21.6300
   396 CA   THR     48      0.0096     23.9614     22.0700
   403 CA   TRP     49      0.0130     24.6034     22.8600
   417 CA   MET     50      0.0232     26.5335     24.0500
   425 CA   ARG     51      0.0178     25.5228     26.0200
   436 CA   THR     52      0.0175     25.4691     26.1300
   443 CA   LEU     53      0.0423     30.1648     25.0600
   451 CA   MET     54      0.0645     34.3627     28.7200
   459 CA   GLY     55      0.0677     34.9719     31.2900
   463 CA   GLN     56      0.0341     28.6085     31.2400
   472 CA   TYR     57      0.0176     25.4814     30.8400
   484 CA   GLN     58      0.0166     25.2814     31.0400
   493 CA   ASP     59      0.0109     24.2098     29.7800
   501 CA   PHE     60      0.0077     23.6118     25.8000
   512 CA   GLU     61      0.0094     23.9211     26.6200
   521 CA   SER     62      0.0133     24.6646     26.6700
   527 CA   ALA     63      0.0095     23.9468     26.7800
   532 CA   THR     64      0.0088     23.8083     25.3900
   539 CA   LEU     65      0.0113     24.2920     26.1700
   547 CA   ASP     66      0.0132     24.6395     23.5600
   555 CA   ALA     67      0.0105     24.1379     21.0600
   560 CA   LEU     68      0.0109     24.2189     21.9100
   568 CA   ARG     69      0.0200     25.9246     24.1700
   579 CA   TYR     70      0.0238     26.6517     23.9200
   591 CA   THR     71      0.0177     25.5017     23.1700
   598 CA   CYS     72      0.0245     26.7783     24.7200
   604 CA   GLY     73      0.0483     31.3019     25.3600
   608 CA   SER     74      0.0529     32.1662     27.2200
   614 CA   LEU     75      0.0473     31.1044     25.9600
   622 CA   GLY     76      0.0762     36.5853     28.3100
   626 CA   LEU     77      0.0526     32.1025     29.5200
   634 CA   ALA     78      0.0775     36.8244     28.8000
   639 CA   LEU     79      0.0417     30.0349     30.4400
   647 CA   ASP     80      0.0976     40.6411     31.5100
   655 CA   ALA     81      0.0863     38.4846     30.7600
   660 CA   ASP     82      0.0957     40.2725     31.3500
   668 CA   GLY     83      0.0465     30.9491     30.2400
   672 CA   GLU     84      0.0268     27.2199     29.8400
   681 CA   ALA     85      0.0396     29.6380     31.5600
   686 CA   HIS     86      0.0272     27.2929     31.4300
   696 CA   LEU     87      0.0137     24.7334     27.8400
   704 CA   CYS     88      0.0115     24.3219     29.8400
   710 CA   SER     89      0.0203     25.9874     30.4700
   716 CA   GLU     90      0.0117     24.3584     28.6300
   725 CA   TYR     91      0.0087     23.7983     26.7000
   737 CA   LEU     92      0.0132     24.6488     22.8000
   745 CA   SER     93      0.0147     24.9380     22.5200
   751 CA   LEU     94      0.0115     24.3255     23.8700
   759 CA   THR     95      0.0158     25.1389     27.1000
   766 CA   PRO     96      0.0142     24.8314     26.3000
   773 CA   PHE     97      0.0148     24.9576     29.4500
   784 CA   ALA     98      0.0354     28.8589     33.0000
   789 CA   ASP     99      0.0232     26.5446     36.6900
   797 CA   VAL    100      0.0133     24.6713     35.7600
   804 CA   PRO    101      0.0192     25.7794     34.0900
   811 CA   GLN    102      0.0315     28.1207     33.9100
   820 CA   ALA    103      0.0186     25.6736     30.9400
   825 CA   LEU    104      0.0126     24.5247     31.4000
   833 CA   GLN    105      0.0185     25.6454     34.8300
   842 CA   GLN    106      0.0195     25.8344     34.0700
   851 CA   LEU    107      0.0137     24.7486     33.1400
   859 CA   ARG    108      0.0174     25.4329     33.8400
   870 CA   ALA    109      0.0330     28.3974     33.5900
   875 CA   ALA    110      0.0332     28.4410     33.5600
   880 CA   GLY    111      0.0373     29.2083     31.2800
   884 CA   LEU    112      0.0146     24.9091     28.9200
   892 CA   LYS    113      0.0124     24.5030     27.7800
   901 CA   THR    114      0.0076     23.5932     26.2100
   908 CA   ALA    115      0.0071     23.4923     24.9500
   913 CA   ILE    116      0.0049     23.0736     24.0200
   921 CA   LEU    117      0.0045     22.9992     22.2400
   929 CA   SER    118      0.0056     23.2041     20.3500
   935 CA   ASN    119      0.0055     23.1861     21.8600
   943 CA   GLY    120      0.0082     23.6889     22.3600
   947 CA   SER    121      0.0094     23.9201     19.9200
   953 CA   ARG    122      0.0159     25.1510     20.8700
   964 CA   HIS    123      0.0173     25.4211     17.9500
   974 CA   SER    124      0.0097     23.9902     20.8700
   980 CA   ILE    125      0.0088     23.8090     18.4800
   988 CA   ARG    126      0.0183     25.6095     20.6100
   999 CA   GLN    127      0.0165     25.2731     19.7300
  1008 CA   VAL    128      0.0106     24.1482     18.8200
  1015 CA   VAL    129      0.0109     24.2170     19.6500
  1022 CA   GLY    130      0.0224     26.3855     19.9800
  1026 CA   ASN    131      0.0268     27.2208     18.9700
  1034 CA   SER    132      0.0232     26.5394     22.7300
  1040 CA   GLY    133      0.0345     28.6801     25.6400
  1044 CA   LEU    134      0.0172     25.4063     26.4700
  1052 CA   THR    135      0.0212     26.1656     29.7200
  1059 CA   ASN    136      0.0492     31.4690     30.8200
  1067 CA   SER    137      0.0184     25.6389     29.5000
  1073 CA   PHE    138      0.0103     24.0873     27.5200
  1084 CA   ASP    139      0.0147     24.9332     28.3100
  1092 CA   HIS    140      0.0115     24.3164     26.7100
  1102 CA   LEU    141      0.0100     24.0348     25.2300
  1110 CA   ILE    142      0.0076     23.5800     24.4800
  1118 CA   SER    143      0.0078     23.6228     22.6200
  1124 CA   VAL    144      0.0079     23.6430     22.8000
  1131 CA   ASP    145      0.0105     24.1264     29.0400
  1139 CA   GLU    146      0.0141     24.8226     29.4100
  1148 CA   VAL    147      0.0134     24.6744     27.0100
  1155 CA   ARG    148      0.0159     25.1656     26.2700
  1166 CA   LEU    149      0.0104     24.1125     23.3700
  1174 CA   PHE    150      0.0059     23.2673     22.0100
  1185 CA   LYS    151      0.0063     23.3340     22.9600
  1194 CA   PRO    152      0.0086     23.7693     21.0000
  1201 CA   HIS    153      0.0096     23.9562     22.1200
  1211 CA   GLN    154      0.0117     24.3653     25.2400
  1220 CA   LYS    155      0.0144     24.8697     25.4900
  1230 CA   VAL    156      0.0071     23.4939     24.1200
  1231 CA   VAL    156      0.0071     23.4862     23.6700
  1243 CA   TYR    157      0.0066     23.4041     24.4900
  1255 CA   GLU    158      0.0109     24.2119     26.0100
  1264 CA   LEU    159      0.0098     24.0089     25.6000
  1272 CA   ALA    160      0.0098     24.0034     24.8000
  1277 CA   MET    161      0.0122     24.4601     26.7500
  1285 CA   ASP    162      0.0229     26.4914     29.2700
  1293 CA   THR    163      0.0238     26.6501     29.9200
  1300 CA   LEU    164      0.0197     25.8822     29.8400
  1308 CA   HIS    165      0.0398     29.6809     31.3300
  1318 CA   LEU    166      0.0221     26.3366     27.7900
  1326 CA   GLY    167      0.0223     26.3724     25.8700
  1330 CA   GLU    168      0.0175     25.4519     24.8200
  1339 CA   SER    169      0.0215     26.2101     22.1100
  1345 CA   GLU    170      0.0152     25.0208     22.6500
  1354 CA   ILE    171      0.0090     23.8479     20.1000
  1362 CA   LEU    172      0.0059     23.2716     21.9000
  1370 CA   PHE    173      0.0044     22.9792     22.0600
  1381 CA   VAL    174      0.0047     23.0397     23.8600
  1388 CA   SER    175      0.0057     23.2194     21.9800
  1394 CA   CYS    176      0.0090     23.8570     27.4600
  1400 CA   ASN    177      0.0090     23.8454     24.1400
  1408 CA   SER    178      0.0120     24.4157     22.2800
  1414 CA   TRP    179      0.0102     24.0808     20.6700
  1428 CA   ASP    180      0.0070     23.4630     20.3700
  1436 CA   ALA    181      0.0061     23.2979     20.2700
  1441 CA   THR    182      0.0111     24.2390     19.8700
  1448 CA   GLY    183      0.0102     24.0841     18.6200
  1452 CA   ALA    184      0.0079     23.6380     18.8400
  1457 CA   LYS    185      0.0096     23.9657     23.6300
  1466 CA   TYR    186      0.0180     25.5453     24.6400
  1478 CA   PHE    187      0.0113     24.2791     25.1100
  1489 CA   GLY    188      0.0122     24.4490     23.5800
  1493 CA   TYR    189      0.0091     23.8764     22.8300
  1505 CA   PRO    190      0.0097     23.9766     21.5300
  1512 CA   VAL    191      0.0083     23.7135     20.2200
  1519 CA   CYS    192      0.0095     23.9358     22.7800
  1525 CA   TRP    193      0.0095     23.9489     20.3500
  1539 CA   ILE    194      0.0122     24.4645     25.8600
  1547 CA   ASN    195      0.0211     26.1504     30.0300
  1555 CA   ARG    196      0.0298     27.7953     39.3600
  1566 CA   SER    197      0.0770     36.7285     42.8400
  1572 CA   ASN    198      0.1016     41.3941     41.2800
  1580 CA   GLY    199      0.1424     49.1137     35.2700
  1584 CA   VAL    200      0.0866     38.5465     27.7800
  1591 CA   PHE    201      0.0386     29.4570     22.9200
  1602 CA   ASP    202      0.0417     30.0456     22.4200
  1610 CA   GLN    203      0.0727     35.9232     23.3600
  1619 CA   LEU    204      0.0541     32.3966     21.7700
  1627 CA   GLY    205      0.0657     34.5941     25.2200
  1631 CA   VAL    206      0.0314     28.0920     26.2800
  1638 CA   VAL    207      0.0385     29.4359     24.4000
  1645 CA   PRO    208      0.0166     25.2818     23.4900
  1652 CA   ASP    209      0.0205     26.0281     24.4800
  1660 CA   ILE    210      0.0179     25.5411     26.0700
  1668 CA   VAL    211      0.0179     25.5321     25.7000
  1675 CA   VAL    212      0.0197     25.8672     25.8000
  1682 CA   SER    213      0.0245     26.7908     29.3300
  1688 CA   ASP    214      0.0194     25.8156     32.2700
  1696 CA   VAL    215      0.0136     24.7281     32.4600
  1703 CA   GLY    216      0.0243     26.7567     32.6300
  1707 CA   VAL    217      0.0237     26.6364     31.6900
  1714 CA   LEU    218      0.0144     24.8669     29.1600
  1722 CA   ALA    219      0.0169     25.3465     33.2500
  1727 CA   SER    220      0.0402     29.7682     37.5000
  1733 CA   ARG    221      0.0351     28.7886     38.3200
  1744 CA   PHE    222      0.0322     28.2466     39.6400
  1755 CA   SER    223      0.0685     35.1135     44.9100
  1761 CA   PRO    224      0.1438     49.3885     47.6600

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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.