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***  HYDROLASE 10-NOV-97 253L  ***

B-factor analysis for ID 2610161438111575763

Overall B-factor prediction

Correlation= 0.775 for 164 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   MET      1      0.0405     19.1512     18.9900
    10 CA   ASN      2      0.0374     18.0128      9.6400
    18 CA   ILE      3      0.0163     10.3218      8.7700
    26 CA   PHE      4      0.0229     12.7386      8.8100
    37 CA   GLU      5      0.0270     14.2080     11.7600
    46 CA   MET      6      0.0139      9.4455      6.0000
    54 CA   LEU      7      0.0146      9.7109     12.0100
    62 CA   ARG      8      0.0193     11.4163     13.6400
    73 CA   ILE      9      0.0220     12.4040     16.5100
    81 CA   ASP     10      0.0176     10.7907      8.7800
    89 CA   GLU     11      0.0182     11.0223     14.7100
    98 CA   GLY     12      0.0269     14.1801     17.3400
   102 CA   LEU     13      0.0248     13.4205     19.9000
   110 CA   ARG     14      0.0262     13.9159     21.2200
   121 CA   LEU     15      0.0260     13.8375     20.1900
   129 CA   LYS     16      0.0299     15.2893     22.8600
   138 CA   ILE     17      0.0213     12.1423     18.8600
   146 CA   TYR     18      0.0293     15.0544     19.5700
   158 CA   LYS     19      0.0462     21.2312     20.5700
   167 CA   ALA     20      0.0579     25.4793     29.5700
   172 CA   THR     21      0.1134     45.7139     38.1600
   179 CA   GLU     22      0.1006     41.0483     35.2400
   188 CA   GLY     23      0.0781     32.8600     27.1100
   192 CA   TYR     24      0.0529     23.6678     24.8200
   204 CA   TYR     25      0.0315     15.8530     20.1800
   216 CA   THR     26      0.0195     11.4859     19.0600
   223 CA   ILE     27      0.0121      8.8046     15.5500
   231 CA   GLY     28      0.0129      9.0895     11.2500
   235 CA   ILE     29      0.0145      9.6613     16.7700
   243 CA   GLY     30      0.0171     10.5988     10.3000
   247 CA   HIS     31      0.0181     10.9726     10.9900
   257 CA   LEU     32      0.0330     16.3993     18.7500
   265 CA   LEU     33      0.0319     16.0020     22.5400
   273 CA   THR     34      0.0591     25.9077     31.2400
   280 CA   LYS     35      0.0923     38.0268     37.7400
   289 CA   SER     36      0.1112     44.9168     39.5300
   295 CA   PRO     37      0.1338     53.1652     44.3800
   302 CA   SER     38      0.1218     48.7904     33.7500
   308 CA   LEU     39      0.0774     32.5893     32.3800
   316 CA   ASN     40      0.1030     41.9185     36.0400
   324 CA   ALA     41      0.0834     34.7880     23.1500
   329 CA   ALA     42      0.0432     20.1303     24.9300
   334 CA   LYS     43      0.0448     20.7026     27.8600
   343 CA   SER     44      0.0744     31.4992     26.0900
   349 CA   GLU     45      0.0551     24.4608     15.2300
   358 CA   LEU     46      0.0302     15.3767     18.9800
   366 CA   ASP     47      0.0501     22.6595     19.6500
   374 CA   LYS     48      0.0908     37.4884     14.9900
   383 CA   ALA     49      0.0568     25.0843     17.8500
   388 CA   ILE     50      0.0473     21.6284     17.9600
   396 CA   GLY     51      0.1214     48.6224     23.7000
   400 CA   ARG     52      0.0819     34.2496     25.3600
   411 CA   ASN     53      0.1036     42.1469     30.4100
   419 CA   THR     54      0.0484     22.0392     23.3000
   426 CA   ASN     55      0.0681     29.2097     43.9600
   434 CA   GLY     56      0.0346     17.0072     31.2100
   438 CA   VAL     57      0.0349     17.1076     23.7400
   445 CA   ILE     58      0.0266     14.0646     16.8500
   453 CA   THR     59      0.0447     20.6811     15.4100
   460 CA   LYS     60      0.0457     21.0529     20.3400
   469 CA   ASP     61      0.0556     24.6583     14.9200
   477 CA   GLU     62      0.0311     15.7189     13.4100
   486 CA   ALA     63      0.0187     11.1781     13.7400
   491 CA   GLU     64      0.0293     15.0533     14.4400
   500 CA   LYS     65      0.0380     18.2452     12.1100
   509 CA   LEU     66      0.0201     11.6917     11.8900
   517 CA   PHE     67      0.0182     11.0078     10.3500
   528 CA   ASN     68      0.0279     14.5566      8.5200
   536 CA   GLN     69      0.0347     17.0246      8.2900
   545 CA   ASP     70      0.0247     13.3682      7.8400
   553 CA   VAL     71      0.0225     12.5792     15.5500
   560 CA   ASP     72      0.0410     19.3174      9.7600
   568 CA   ALA     73      0.0467     21.4114     14.4300
   573 CA   ALA     74      0.0248     13.4041     14.1900
   578 CA   VAL     75      0.0259     13.8317     15.8200
   585 CA   ARG     76      0.0489     22.1890     18.0800
   596 CA   GLY     77      0.0420     19.6873     12.8600
   600 CA   ILE     78      0.0241     13.1781     13.4300
   608 CA   LEU     79      0.0356     17.3683     14.9500
   616 CA   ARG     80      0.0606     26.4535     21.3200
   627 CA   ASN     81      0.0442     20.4768     17.7300
   635 CA   ALA     82      0.0737     31.2304     23.9200
   640 CA   LYS     83      0.0443     20.5176     20.3200
   649 CA   LEU     84      0.0245     13.3164     19.2100
   657 CA   LYS     85      0.0289     14.9302     16.2900
   666 CA   PRO     86      0.0372     17.9556     19.7700
   673 CA   VAL     87      0.0212     12.1218     18.1300
   680 CA   TYR     88      0.0188     11.2249     13.5900
   692 CA   ASP     89      0.0339     16.7281     12.3900
   700 CA   SER     90      0.0288     14.8908     12.5900
   706 CA   LEU     91      0.0193     11.4164     10.0500
   714 CA   ASP     92      0.0279     14.5601     10.4600
   722 CA   ALA     93      0.0430     20.0414     13.9500
   727 CA   VAL     94      0.0170     10.5807      9.6200
   734 CA   ARG     95      0.0110      8.3952     10.6800
   745 CA   ARG     96      0.0134      9.2441     12.9200
   756 CA   ALA     97      0.0111      8.4268     10.0300
   761 CA   ALA     98      0.0079      7.2638     10.6000
   766 CA   LEU     99      0.0090      7.6614      7.7500
   774 CA   ILE    100      0.0112      8.4459     10.2400
   782 CA   ASN    101      0.0105      8.1987      6.1400
   790 CA   MET    102      0.0122      8.8118     13.1600
   798 CA   VAL    103      0.0172     10.6306     13.2000
   805 CA   PHE    104      0.0162     10.2818     10.3700
   816 CA   GLN    105      0.0206     11.8915     16.5600
   825 CA   MET    106      0.0348     17.0749     20.1100
   833 CA   GLY    107      0.0466     21.3755     14.0000
   837 CA   GLU    108      0.0386     18.4435     20.2600
   846 CA   THR    109      0.0704     30.0465     28.3600
   853 CA   GLY    110      0.0464     21.2850     20.7900
   857 CA   VAL    111      0.0253     13.6042     18.9300
   864 CA   ALA    112      0.0382     18.2991     17.1400
   869 CA   GLY    113      0.0570     25.1482     24.2200
   873 CA   PHE    114      0.0291     14.9994     17.4800
   884 CA   THR    115      0.0462     21.2374     14.2500
   891 CA   ASN    116      0.0411     19.3507     18.7000
   899 CA   SER    117      0.0210     12.0419     18.4300
   905 CA   LEU    118      0.0212     12.1006     17.0000
   913 CA   ARG    119      0.0353     17.2494     17.1300
   924 CA   MET    120      0.0242     13.1934     13.1800
   932 CA   LEU    121      0.0157     10.0957     14.1000
   940 CA   GLN    122      0.0255     13.6824     13.3600
   949 CA   GLN    123      0.0399     18.9387     19.5100
   958 CA   LYS    124      0.0283     14.6822     11.2600
   967 CA   ARG    125      0.0330     16.4034     20.3200
   978 CA   TRP    126      0.0195     11.4833     15.6900
   992 CA   ASP    127      0.0330     16.3891     20.7000
  1000 CA   GLU    128      0.0333     16.5240     16.2400
  1009 CA   ALA    129      0.0171     10.5969     15.4900
  1014 CA   ALA    130      0.0174     10.7154     12.6600
  1019 CA   VAL    131      0.0368     17.8106     15.4400
  1026 CA   ASN    132      0.0249     13.4564     19.9400
  1034 CA   LEU    133      0.0157     10.0956      9.8500
  1042 CA   ALA    134      0.0242     13.1862     13.4400
  1047 CA   LYS    135      0.0500     22.5881     14.5200
  1056 CA   SER    136      0.0396     18.8171     14.1000
  1062 CA   ARG    137      0.0614     26.7795     11.4700
  1073 CA   TRP    138      0.0261     13.9014     14.5700
  1087 CA   TYR    139      0.0238     13.0501     12.9700
  1099 CA   ASN    140      0.0451     20.8020     14.6500
  1107 CA   GLN    141      0.0493     22.3391     15.3900
  1116 CA   THR    142      0.0333     16.5260     14.0500
  1123 CA   PRO    143      0.0332     16.4828     15.5200
  1130 CA   ASN    144      0.0414     19.4831      8.8000
  1138 CA   ARG    145      0.0171     10.6206     13.8500
  1149 CA   ALA    146      0.0154      9.9915     12.1800
  1154 CA   LYS    147      0.0181     10.9859     15.0900
  1163 CA   ARG    148      0.0135      9.2890     10.3400
  1174 CA   VAL    149      0.0086      7.5266      4.1400
  1181 CA   ILE    150      0.0108      8.3301     10.8300
  1189 CA   THR    151      0.0142      9.5543     16.9400
  1196 CA   THR    152      0.0097      7.9297     10.8700
  1203 CA   PHE    153      0.0088      7.5862     12.8800
  1214 CA   ARG    154      0.0158     10.1462     18.2200
  1225 CA   THR    155      0.0241     13.1751     15.5700
  1232 CA   GLY    156      0.0192     11.3636     18.1800
  1236 CA   THR    157      0.0273     14.3318     10.9600
  1243 CA   TRP    158      0.0207     11.9073     15.1200
  1257 CA   ASP    159      0.0379     18.1911     17.2400
  1265 CA   ALA    160      0.0246     13.3604     17.6000
  1270 CA   TYR    161      0.0237     13.0101     16.8500
  1282 CA   LYS    162      0.0694     29.6940     51.7000
  1291 CA   ASN    163      0.1751     68.2222     77.8200
  1299 CA   LEU    164      0.0927     38.1764     73.6600

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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.