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***  HYDROLASE (SULFHYDRYL PROTEINASE) 01-NOV-76 2PAD  ***

B-factor analysis for ID 240110231412668287

Overall B-factor prediction

%Bfactors-Wn> Experimental B-factors are nearly constant !

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   ILE      1      0.0728      0.0000      0.0000
    10 CA   PRO      2      0.0755      0.0000      0.0000
    17 CA   GLU      3      0.0503      0.0000      0.0000
    26 CA   TYR      4      0.0342      0.0000      0.0000
    38 CA   VAL      5      0.0137      0.0000      0.0000
    45 CA   ASP      6      0.0137      0.0000      0.0000
    53 CA   TRP      7      0.0108      0.0000      0.0000
    67 CA   ARG      8      0.0172      0.0000      0.0000
    78 CA   GLN      9      0.0480      0.0000      0.0000
    87 CA   LYS     10      0.0357      0.0000      0.0000
    96 CA   GLY     11      0.0226      0.0000      0.0000
   100 CA   ALA     12      0.0131      0.0000      0.0000
   105 CA   VAL     13      0.0139      0.0000      0.0000
   112 CA   THR     14      0.0179      0.0000      0.0000
   119 CA   PRO     15      0.0263      0.0000      0.0000
   126 CA   VAL     16      0.0157      0.0000      0.0000
   133 CA   LYS     17      0.0112      0.0000      0.0000
   142 CA   ASN     18      0.0119      0.0000      0.0000
   150 CA   GLN     19      0.0125      0.0000      0.0000
   159 CA   GLY     20      0.0210      0.0000      0.0000
   163 CA   SER     21      0.0830      0.0000      0.0000
   169 CA   CYS     22      0.0256      0.0000      0.0000
   175 CA   GLY     23      0.0197      0.0000      0.0000
   179 CA   SER     24      0.0109      0.0000      0.0000
   185 CA   CYS     25      0.0082      0.0000      0.0000
   191 CA   TRP     26      0.0071      0.0000      0.0000
   205 CA   ALA     27      0.0055      0.0000      0.0000
   210 CA   PHE     28      0.0056      0.0000      0.0000
   221 CA   SER     29      0.0053      0.0000      0.0000
   227 CA   ALA     30      0.0046      0.0000      0.0000
   232 CA   VAL     31      0.0048      0.0000      0.0000
   239 CA   VAL     32      0.0047      0.0000      0.0000
   246 CA   THR     33      0.0052      0.0000      0.0000
   253 CA   ILE     34      0.0048      0.0000      0.0000
   261 CA   GLU     35      0.0068      0.0000      0.0000
   270 CA   GLY     36      0.0076      0.0000      0.0000
   274 CA   ILE     37      0.0101      0.0000      0.0000
   282 CA   ILE     38      0.0104      0.0000      0.0000
   290 CA   LYS     39      0.0149      0.0000      0.0000
   299 CA   ILE     40      0.0170      0.0000      0.0000
   307 CA   ARG     41      0.0368      0.0000      0.0000
   318 CA   THR     42      0.0543      0.0000      0.0000
   325 CA   GLY     43      0.0659      0.0000      0.0000
   329 CA   ASN     44      0.0403      0.0000      0.0000
   337 CA   LEU     45      0.0144      0.0000      0.0000
   345 CA   ASN     46      0.0134      0.0000      0.0000
   353 CA   GLN     47      0.0086      0.0000      0.0000
   362 CA   TYR     48      0.0070      0.0000      0.0000
   374 CA   SER     49      0.0053      0.0000      0.0000
   380 CA   GLU     50      0.0052      0.0000      0.0000
   389 CA   GLN     51      0.0070      0.0000      0.0000
   398 CA   GLU     52      0.0056      0.0000      0.0000
   407 CA   LEU     53      0.0047      0.0000      0.0000
   415 CA   LEU     54      0.0063      0.0000      0.0000
   423 CA   ASP     55      0.0098      0.0000      0.0000
   431 CA   CYS     56      0.0112      0.0000      0.0000
   437 CA   ASP     57      0.0112      0.0000      0.0000
   445 CA   ARG     58      0.0198      0.0000      0.0000
   456 CA   ARG     59      0.0209      0.0000      0.0000
   467 CA   SER     60      0.0161      0.0000      0.0000
   473 CA   TYR     61      0.0236      0.0000      0.0000
   485 CA   GLY     62      0.0152      0.0000      0.0000
   489 CA   CYS     63      0.0207      0.0000      0.0000
   495 CA   ASN     64      0.0387      0.0000      0.0000
   503 CA   GLY     65      0.0230      0.0000      0.0000
   507 CA   GLY     66      0.0159      0.0000      0.0000
   511 CA   TYR     67      0.0130      0.0000      0.0000
   523 CA   PRO     68      0.0090      0.0000      0.0000
   530 CA   TRP     69      0.0133      0.0000      0.0000
   544 CA   SER     70      0.0112      0.0000      0.0000
   550 CA   ALA     71      0.0073      0.0000      0.0000
   555 CA   LEU     72      0.0066      0.0000      0.0000
   563 CA   GLN     73      0.0142      0.0000      0.0000
   572 CA   LEU     74      0.0114      0.0000      0.0000
   580 CA   VAL     75      0.0095      0.0000      0.0000
   587 CA   ALA     76      0.0127      0.0000      0.0000
   592 CA   GLN     77      0.0235      0.0000      0.0000
   601 CA   TYR     78      0.0230      0.0000      0.0000
   613 CA   GLY     79      0.0100      0.0000      0.0000
   617 CA   ILE     80      0.0067      0.0000      0.0000
   625 CA   HIS     81      0.0083      0.0000      0.0000
   635 CA   TYR     82      0.0103      0.0000      0.0000
   647 CA   ARG     83      0.0099      0.0000      0.0000
   658 CA   ASN     84      0.0235      0.0000      0.0000
   666 CA   THR     85      0.0155      0.0000      0.0000
   673 CA   TYR     86      0.0101      0.0000      0.0000
   685 CA   PRO     87      0.0130      0.0000      0.0000
   692 CA   TYR     88      0.0098      0.0000      0.0000
   704 CA   GLU     89      0.0190      0.0000      0.0000
   713 CA   GLY     90      0.0180      0.0000      0.0000
   717 CA   VAL     91      0.0219      0.0000      0.0000
   724 CA   GLN     92      0.0158      0.0000      0.0000
   733 CA   ARG     93      0.0238      0.0000      0.0000
   744 CA   TYR     94      0.0239      0.0000      0.0000
   756 CA   CYS     95      0.0174      0.0000      0.0000
   762 CA   ARG     96      0.0165      0.0000      0.0000
   773 CA   SER     97      0.0158      0.0000      0.0000
   779 CA   ARG     98      0.0338      0.0000      0.0000
   790 CA   GLU     99      0.0401      0.0000      0.0000
   799 CA   LYS    100      0.0289      0.0000      0.0000
   808 CA   GLY    101      0.0731      0.0000      0.0000
   812 CA   PRO    102      0.0877      0.0000      0.0000
   819 CA   TYR    103      0.0170      0.0000      0.0000
   831 CA   ALA    104      0.0185      0.0000      0.0000
   836 CA   ALA    105      0.0119      0.0000      0.0000
   841 CA   LYS    106      0.0119      0.0000      0.0000
   850 CA   THR    107      0.0143      0.0000      0.0000
   857 CA   ASP    108      0.0232      0.0000      0.0000
   865 CA   GLY    109      0.0166      0.0000      0.0000
   869 CA   VAL    110      0.0124      0.0000      0.0000
   876 CA   ARG    111      0.0205      0.0000      0.0000
   887 CA   GLN    112      0.0160      0.0000      0.0000
   896 CA   VAL    113      0.0156      0.0000      0.0000
   903 CA   GLN    114      0.0253      0.0000      0.0000
   912 CA   PRO    115      0.0211      0.0000      0.0000
   919 CA   TYR    116      0.0194      0.0000      0.0000
   931 CA   ASN    117      0.0185      0.0000      0.0000
   939 CA   GLN    118      0.0144      0.0000      0.0000
   948 CA   GLY    119      0.0249      0.0000      0.0000
   952 CA   ALA    120      0.0203      0.0000      0.0000
   957 CA   LEU    121      0.0097      0.0000      0.0000
   965 CA   LEU    122      0.0102      0.0000      0.0000
   973 CA   TYR    123      0.0188      0.0000      0.0000
   985 CA   SER    124      0.0149      0.0000      0.0000
   991 CA   ILE    125      0.0084      0.0000      0.0000
   999 CA   ALA    126      0.0107      0.0000      0.0000
  1004 CA   ASN    127      0.0134      0.0000      0.0000
  1012 CA   GLN    128      0.0095      0.0000      0.0000
  1021 CA   PRO    129      0.0057      0.0000      0.0000
  1028 CA   VAL    130      0.0056      0.0000      0.0000
  1035 CA   SER    131      0.0053      0.0000      0.0000
  1041 CA   VAL    132      0.0052      0.0000      0.0000
  1048 CA   VAL    133      0.0092      0.0000      0.0000
  1055 CA   LEU    134      0.0084      0.0000      0.0000
  1063 CA   GLN    135      0.0140      0.0000      0.0000
  1072 CA   ALA    136      0.0140      0.0000      0.0000
  1077 CA   ALA    137      0.0390      0.0000      0.0000
  1082 CA   GLY    138      0.0276      0.0000      0.0000
  1086 CA   LYS    139      0.0558      0.0000      0.0000
  1095 CA   ASP    140      0.0321      0.0000      0.0000
  1103 CA   PHE    141      0.0121      0.0000      0.0000
  1114 CA   GLN    142      0.0187      0.0000      0.0000
  1123 CA   LEU    143      0.0318      0.0000      0.0000
  1131 CA   TYR    144      0.0168      0.0000      0.0000
  1143 CA   ARG    145      0.0310      0.0000      0.0000
  1154 CA   GLY    146      0.0370      0.0000      0.0000
  1158 CA   GLY    147      0.0197      0.0000      0.0000
  1162 CA   ILE    148      0.0159      0.0000      0.0000
  1170 CA   PHE    149      0.0150      0.0000      0.0000
  1181 CA   VAL    150      0.0236      0.0000      0.0000
  1188 CA   GLY    151      0.0374      0.0000      0.0000
  1192 CA   PRO    152      0.0586      0.0000      0.0000
  1199 CA   CYS    153      0.0273      0.0000      0.0000
  1205 CA   GLY    154      0.0285      0.0000      0.0000
  1209 CA   ASN    155      0.0320      0.0000      0.0000
  1217 CA   LYS    156      0.0443      0.0000      0.0000
  1226 CA   VAL    157      0.0218      0.0000      0.0000
  1233 CA   ASP    158      0.0292      0.0000      0.0000
  1241 CA   HIS    159      0.0106      0.0000      0.0000
  1251 CA   ALA    160      0.0087      0.0000      0.0000
  1256 CA   VAL    161      0.0051      0.0000      0.0000
  1263 CA   ALA    162      0.0052      0.0000      0.0000
  1268 CA   ALA    163      0.0051      0.0000      0.0000
  1273 CA   VAL    164      0.0057      0.0000      0.0000
  1280 CA   GLY    165      0.0094      0.0000      0.0000
  1284 CA   TYR    166      0.0092      0.0000      0.0000
  1296 CA   GLY    167      0.0180      0.0000      0.0000
  1300 CA   PRO    168      0.0342      0.0000      0.0000
  1307 CA   ASN    169      0.0189      0.0000      0.0000
  1315 CA   TYR    170      0.0127      0.0000      0.0000
  1327 CA   ILE    171      0.0061      0.0000      0.0000
  1335 CA   LEU    172      0.0065      0.0000      0.0000
  1343 CA   ILE    173      0.0051      0.0000      0.0000
  1351 CA   LYS    174      0.0052      0.0000      0.0000
  1360 CA   ASN    175      0.0073      0.0000      0.0000
  1368 CA   SER    176      0.0078      0.0000      0.0000
  1374 CA   TRP    177      0.0120      0.0000      0.0000
  1388 CA   GLY    178      0.0155      0.0000      0.0000
  1392 CA   THR    179      0.0268      0.0000      0.0000
  1399 CA   GLY    180      0.0393      0.0000      0.0000
  1403 CA   TRP    181      0.0140      0.0000      0.0000
  1417 CA   GLY    182      0.0115      0.0000      0.0000
  1421 CA   GLU    183      0.0168      0.0000      0.0000
  1430 CA   ASN    184      0.0243      0.0000      0.0000
  1438 CA   GLY    185      0.0098      0.0000      0.0000
  1442 CA   TYR    186      0.0082      0.0000      0.0000
  1454 CA   ILE    187      0.0081      0.0000      0.0000
  1462 CA   ARG    188      0.0087      0.0000      0.0000
  1473 CA   ILE    189      0.0082      0.0000      0.0000
  1481 CA   LYS    190      0.0118      0.0000      0.0000
  1490 CA   ARG    191      0.0172      0.0000      0.0000
  1501 CA   GLY    192      0.0277      0.0000      0.0000
  1505 CA   THR    193      0.0737      0.0000      0.0000
  1512 CA   GLY    194      0.1080      0.0000      0.0000
  1516 CA   ASN    195      0.0333      0.0000      0.0000
  1524 CA   SER    196      0.0302      0.0000      0.0000
  1530 CA   TYR    197      0.0207      0.0000      0.0000
  1542 CA   GLY    198      0.0184      0.0000      0.0000
  1546 CA   VAL    199      0.0119      0.0000      0.0000
  1553 CA   CYS    200      0.0112      0.0000      0.0000
  1559 CA   GLY    201      0.0107      0.0000      0.0000
  1563 CA   LEU    202      0.0079      0.0000      0.0000
  1571 CA   TYR    203      0.0098      0.0000      0.0000
  1583 CA   THR    204      0.0135      0.0000      0.0000
  1590 CA   SER    205      0.0110      0.0000      0.0000
  1596 CA   SER    206      0.0093      0.0000      0.0000
  1602 CA   PHE    207      0.0088      0.0000      0.0000
  1613 CA   TYR    208      0.0088      0.0000      0.0000
  1625 CA   PRO    209      0.0098      0.0000      0.0000
  1632 CA   VAL    210      0.0152      0.0000      0.0000
  1639 CA   LYS    211      0.0275      0.0000      0.0000
  1648 CA   ASN    212      0.0629      0.0000      0.0000

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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: April 25th, 2023.