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***  HYDROLASE/HYDROLASE INHIBITOR 26-APR-00 1EWM  ***

B-factor analysis for ID 2610021246531795849

Overall B-factor prediction

Correlation= 0.732 for 215 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   ALA      1      0.0576     18.8984     30.8500
     7 CA   PRO      2      0.0563     18.5986     26.5700
    14 CA   ALA      3      0.0496     17.0125     19.3600
    19 CA   ALA      4      0.0269     11.6006     14.1700
    24 CA   VAL      5      0.0124      8.1591     12.0100
    31 CA   ASP      6      0.0119      8.0474     10.3000
    39 CA   TRP      7      0.0088      7.3037      6.9400
    53 CA   ARG      8      0.0122      8.1056      7.8800
    64 CA   ALA      9      0.0424     15.2847     11.7900
    69 CA   ARG     10      0.0330     13.0444     11.6200
    80 CA   GLY     11      0.0272     11.6844      8.5900
    84 CA   ALA     12      0.0135      8.4167      6.5900
    89 CA   VAL     13      0.0103      7.6485      7.0300
    96 CA   THR     14      0.0126      8.1935      6.5500
   103 CA   ALA     15      0.0293     12.1795      6.6700
   108 CA   VAL     16      0.0139      8.5121      6.0800
   115 CA   LYS     17      0.0111      7.8438      6.8800
   124 CA   ASP     18      0.0126      8.2039      9.2100
   132 CA   GLN     19      0.0124      8.1450      8.6400
   141 CA   GLY     20      0.0192      9.7738      9.4600
   145 CA   GLN     21      0.0462     16.1969     12.3400
   154 CA   CYS     22      0.0220     10.4440      9.1700
   160 CA   GLY     23      0.0177      9.4100      8.9500
   164 CA   SER     24      0.0102      7.6308      8.5000
   170 CA   CYS     25      0.0092      7.4062      8.4500
   176 CA   TRP     26      0.0081      7.1435      6.2400
   190 CA   ALA     27      0.0061      6.6555      6.0900
   195 CA   PHE     28      0.0060      6.6296      8.3600
   206 CA   SER     29      0.0057      6.5621      6.0000
   212 CA   ALA     30      0.0049      6.3685      4.4500
   217 CA   ILE     31      0.0049      6.3617      6.2500
   225 CA   GLY     32      0.0054      6.5015      3.5300
   229 CA   ASN     33      0.0054      6.4844      4.8700
   237 CA   VAL     34      0.0048      6.3499      5.3900
   244 CA   GLU     35      0.0061      6.6566      7.3200
   253 CA   CYS     36      0.0065      6.7631      7.1900
   259 CA   GLN     37      0.0080      7.1182      7.7900
   268 CA   TRP     38      0.0087      7.2665      9.3800
   282 CA   PHE     39      0.0131      8.3286     12.2100
   293 CA   LEU     40      0.0158      8.9670     13.1300
   301 CA   ALA     41      0.0324     12.9074     14.2900
   306 CA   GLY     42      0.0502     17.1359     14.5800
   310 CA   HIS     43      0.0283     11.9489     12.5900
   320 CA   PRO     44      0.0423     15.2749     10.2600
   327 CA   LEU     45      0.0134      8.3923      9.4500
   335 CA   THR     46      0.0135      8.4057      9.9200
   342 CA   ASN     47      0.0104      7.6746      9.5600
   350 CA   LEU     48      0.0076      7.0196      6.8100
   358 CA   SER     49      0.0057      6.5527      5.2200
   364 CA   GLU     50      0.0053      6.4721      5.5800
   373 CA   GLN     51      0.0070      6.8705      6.0400
   382 CA   MET     52      0.0058      6.5910      7.3200
   390 CA   LEU     53      0.0053      6.4577      6.8100
   398 CA   VAL     54      0.0067      6.8076      7.0400
   405 CA   SER     55      0.0119      8.0291      7.0800
   411 CA   CYS     56      0.0118      8.0173      6.5400
   417 CA   ASP     57      0.0112      7.8642      7.4000
   425 CA   LYS     58      0.0252     11.2038      9.8000
   434 CA   THR     59      0.0187      9.6459      6.9600
   441 CA   ASP     60      0.0160      9.0073      7.7500
   449 CA   SER     61      0.0328     13.0153      7.9400
   455 CA   GLY     62      0.0209     10.1670      5.3300
   459 CA   CYS     63      0.0230     10.6655      6.0600
   465 CA   SER     64      0.0582     19.0450      8.2800
   471 CA   GLY     65      0.0241     10.9288      7.4100
   475 CA   GLY     66      0.0180      9.4985      7.3500
   479 CA   LEU     67      0.0143      8.5976      8.0300
   487 CA   MET     68      0.0080      7.0990      7.4700
   495 CA   ASN     69      0.0121      8.0842      7.4600
   503 CA   ASN     70      0.0138      8.4811      8.0800
   511 CA   ALA     71      0.0082      7.1479      5.5300
   516 CA   PHE     72      0.0072      6.9245      5.9300
   527 CA   GLU     73      0.0134      8.4047      8.9800
   536 CA   TRP     74      0.0107      7.7567      7.3800
   550 CA   ILE     75      0.0098      7.5331      6.5500
   558 CA   VAL     76      0.0144      8.6410     11.3300
   565 CA   GLN     77      0.0308     12.5319     15.5100
   574 CA   GLU     78      0.0270     11.6325     13.9500
   583 CA   ASN     78      0.0204     10.0669     10.1000
   591 CA   ASN     78      0.0293     12.1817     10.4800
   599 CA   GLY     78      0.0242     10.9627      8.0100
   603 CA   ALA     79      0.0114      7.9232      8.4700
   608 CA   VAL     80      0.0084      7.2024      8.4100
   615 CA   TYR     81      0.0098      7.5359      6.4500
   627 CA   THR     82      0.0122      8.1066      7.1600
   634 CA   GLU     83      0.0114      7.9092      9.4800
   643 CA   ASP     84      0.0285     11.9782     12.4400
   651 CA   SER     85      0.0192      9.7720     10.6300
   657 CA   TYR     86      0.0130      8.3074      8.7700
   669 CA   PRO     87      0.0178      9.4297      7.4500
   676 CA   TYR     88      0.0119      8.0323      9.1900
   688 CA   ALA     89      0.0290     12.1102      9.6900
   693 CA   SER     89      0.0183      9.5568      7.7900
   699 CA   GLY     89      0.0315     12.7100      8.4400
   703 CA   GLU     89      0.0459     16.1269     12.8400
   712 CA   GLY     90      0.0355     13.6568     13.6600
   716 CA   ILE     91      0.0421     15.2299     18.7100
   724 CA   SER     92      0.0255     11.2743     16.8700
   730 CA   PRO     93      0.0452     15.9670     14.1400
   737 CA   PRO     94      0.0674     21.2459     12.2700
   744 CA   CYS     95      0.0302     12.3946     11.9500
   750 CA   THR     96      0.0367     13.9373     18.6300
   757 CA   THR     97      0.0637     20.3536     20.0000
   764 CA   SER     98      0.0870     25.8941     13.7600
   770 CA   GLY     99      0.0652     20.7046     11.6100
   774 CA   HIS    100      0.0325     12.9249     12.1200
   784 CA   THR    101      0.0305     12.4641     12.3100
   791 CA   VAL    102      0.0233     10.7406      9.2200
   798 CA   GLY    103      0.0141      8.5519      9.6300
   802 CA   ALA    105      0.0119      8.0373      8.3600
   807 CA   THR    106      0.0129      8.2703      7.6700
   814 CA   ILE    107      0.0132      8.3413      8.3400
   822 CA   THR    108      0.0214     10.3041      9.7700
   829 CA   GLY    109      0.0159      8.9763      7.8300
   833 CA   HIS    110      0.0129      8.2675      7.4900
   843 CA   VAL    111      0.0172      9.2880      8.3900
   850 CA   GLU    112      0.0208     10.1529     11.3100
   859 CA   LEU    113      0.0164      9.0976     12.3200
   867 CA   PRO    114      0.0228     10.6371     13.5200
   874 CA   GLN    115      0.0234     10.7608     13.9800
   883 CA   ASP    116      0.0230     10.6885     11.6100
   891 CA   GLU    117      0.0123      8.1412     10.5100
   900 CA   ALA    118      0.0186      9.6402     10.2800
   905 CA   GLN    119      0.0231     10.7019     11.4400
   914 CA   ILE    120      0.0113      7.8959      8.1300
   922 CA   ALA    121      0.0128      8.2487      7.2200
   927 CA   ALA    122      0.0173      9.3142      8.8500
   932 CA   TRP    123      0.0114      7.9161      6.1100
   946 CA   LEU    124      0.0076      7.0208      7.3400
   954 CA   ALA    125      0.0158      8.9750      8.4200
   959 CA   VAL    126      0.0253     11.2348     10.0400
   966 CA   ASN    127      0.0163      9.0730      8.8800
   974 CA   GLY    128      0.0092      7.3984      7.9100
   978 CA   PRO    129      0.0052      6.4410      6.2300
   985 CA   VAL    130      0.0051      6.4297      7.6200
   992 CA   ALA    131      0.0052      6.4317      6.6800
   997 CA   VAL    132      0.0053      6.4670      5.8500
  1004 CA   ALA    133      0.0101      7.6032      8.4600
  1009 CA   VAL    134      0.0087      7.2821      7.5800
  1016 CA   ASP    135      0.0139      8.5017      8.5800
  1024 CA   ALA    136      0.0134      8.3984     10.5200
  1029 CA   SER    139      0.0273     11.7104     13.7700
  1035 CA   SER    140      0.0252     11.2026     16.0800
  1041 CA   TRP    141      0.0143      8.6072     14.0300
  1055 CA   MET    142      0.0288     12.0543     17.1400
  1063 CA   THR    143      0.0431     15.4460     14.2600
  1070 CA   TYR    144      0.0208     10.1558     11.6500
  1082 CA   THR    145      0.0468     16.3321     12.0900
  1089 CA   GLY    146      0.0298     12.2989     10.7200
  1093 CA   GLY    147      0.0256     11.3035      9.8700
  1097 CA   VAL    148      0.0165      9.1309     10.6500
  1104 CA   MET    149      0.0148      8.7354     13.9300
  1112 CA   THR    151      0.0420     15.2071     14.6600
  1119 CA   SER    152      0.0508     17.2794     15.4800
  1125 CA   CYS    153      0.0218     10.3973     12.8100
  1131 CA   VAL    154      0.0253     11.2145     14.8800
  1138 CA   SER    155      0.0290     12.0994     15.2600
  1144 CA   GLU    156      0.0472     16.4368     17.2800
  1153 CA   GLN    156      0.0478     16.5727     16.7700
  1162 CA   LEU    157      0.0217     10.3608     11.9800
  1170 CA   ASP    158      0.0276     11.7733     11.3400
  1178 CA   HIS    159      0.0098      7.5285      9.4300
  1188 CA   GLY    160      0.0088      7.2974      8.9800
  1192 CA   VAL    161      0.0047      6.3173      8.1800
  1199 CA   LEU    162      0.0043      6.2330      6.4800
  1207 CA   LEU    163      0.0044      6.2619      7.2000
  1215 CA   VAL    164      0.0047      6.3329      9.0700
  1222 CA   GLY    165      0.0078      7.0581     10.0800
  1226 CA   TYR    166      0.0079      7.0804      8.8300
  1238 CA   ASN    167      0.0195      9.8398     10.3600
  1246 CA   ASP    167      0.0241     10.9411     13.8600
  1254 CA   SER    167      0.0426     15.3355     16.3300
  1260 CA   ALA    167      0.0411     14.9907     13.5100
  1265 CA   ALA    167      0.0607     19.6374     12.5100
  1270 CA   VAL    168      0.0411     14.9921      9.7000
  1277 CA   PRO    169      0.0168      9.2037      9.0000
  1284 CA   TYR    170      0.0105      7.6944      8.1400
  1296 CA   TRP    171      0.0046      6.2988      7.6300
  1310 CA   ILE    172      0.0055      6.5086      5.7800
  1318 CA   ILE    173      0.0045      6.2653      5.6300
  1326 CA   LYS    174      0.0050      6.4054      4.9800
  1335 CA   ASN    175      0.0073      6.9369      6.6600
  1343 CA   SER    176      0.0079      7.0956      7.0700
  1349 CA   TRP    177      0.0123      8.1266      8.5600
  1363 CA   THR    178      0.0169      9.2158      8.3600
  1370 CA   THR    179      0.0304     12.4448     10.9200
  1377 CA   GLN    180      0.0498     17.0421     13.0800
  1386 CA   TRP    181      0.0157      8.9503      9.2100
  1400 CA   GLY    182      0.0137      8.4644     11.1500
  1404 CA   GLU    183      0.0170      9.2462     11.6600
  1413 CA   GLU    184      0.0259     11.3662     13.1900
  1422 CA   GLY    185      0.0096      7.5001      6.8700
  1426 CA   TYR    186      0.0076      7.0162      6.7800
  1438 CA   ILE    187      0.0072      6.9136      7.6300
  1446 CA   ARG    188      0.0075      6.9790      8.7000
  1457 CA   ILE    189      0.0074      6.9740      9.2100
  1465 CA   ALA    190      0.0097      7.5140     10.5200
  1470 CA   LYS    191      0.0120      8.0494     10.1300
  1479 CA   GLY    192      0.0195      9.8365     11.6700
  1483 CA   SER    193      0.0409     14.9294     10.8200
  1489 CA   ASN    198      0.0147      8.7055      8.9600
  1497 CA   GLN    199      0.0128      8.2551      8.2600
  1506 CA   CYS    200      0.0111      7.8490      7.5100
  1512 CA   LEU    201      0.0129      8.2662      7.1900
  1520 CA   VAL    202      0.0085      7.2305      8.9200
  1527 CA   LYS    203      0.0106      7.7307     12.2500
  1536 CA   GLU    204      0.0138      8.4934     11.8400
  1545 CA   GLU    205      0.0149      8.7391      9.9500
  1554 CA   ALA    206      0.0098      7.5447      7.5700
  1559 CA   SER    207      0.0083      7.1731      4.5600
  1565 CA   SER    208      0.0083      7.1897      5.8600
  1571 CA   ALA    209      0.0083      7.1759      7.9500
  1576 CA   VAL    210      0.0166      9.1441     11.9400
  1583 CA   VAL    211      0.0156      8.9156     20.9500
  1590 CA   GLY    212      0.1395     38.3829     30.9400

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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.