CNRS Nantes University UFIP UFIP
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.


***  HYDROLASE (SULFHYDRYL PROTEINASE) 31-MAR-86 9PAP  ***

B-factor analysis for ID 201009021054930

Overall B-factor prediction

Correlation= 0.570 for 211 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   ILE      1      0.0603     31.8736     18.6300
    10 CA   PRO      2      0.0589     31.1706     20.3600
    17 CA   GLU      3      0.0477     25.7371     19.6700
    26 CA   TYR      4      0.0303     17.2996     14.4500
    38 CA   VAL      5      0.0128      8.8153     12.0500
    45 CA   ASP      6      0.0126      8.6974      6.6500
    53 CA   TRP      7      0.0093      7.1139      9.6000
    67 CA   ARG      8      0.0137      9.2502     11.6800
    78 CA   GLN      9      0.0394     21.7067     17.2200
    87 CA   LYS     10      0.0351     19.6161      8.6400
    96 CA   GLY     11      0.0240     14.2546      7.3500
   100 CA   ALA     12      0.0121      8.4578      5.1900
   105 CA   VAL     13      0.0100      7.4545      9.3100
   112 CA   THR     14      0.0115      8.1900      2.6600
   119 CA   PRO     15      0.0273     15.8328      7.6000
   126 CA   VAL     16      0.0151      9.9322     15.9000
   133 CA   LYS     17      0.0122      8.5208      5.8200
   142 CA   ASN     18      0.0145      9.6495     10.2700
   150 CA   GLN     19      0.0157     10.2125      6.6400
   159 CA   GLY     20      0.0263     15.3597     11.2600
   163 CA   SER     21      0.0815     42.1467     29.1600
   169 CA   CYS     22      0.0306     17.4615      4.5200
   175 CA   GLY     23      0.0225     13.5098     13.1100
   179 CA   SER     24      0.0121      8.4600      7.8000
   185 CA   TRP     26      0.0094      7.1431      1.7600
   199 CA   ALA     27      0.0066      5.8001      8.0500
   204 CA   PHE     28      0.0054      5.2101      3.5700
   215 CA   SER     29      0.0058      5.4367      6.3300
   221 CA   ALA     30      0.0055      5.2619      8.8500
   226 CA   VAL     31      0.0047      4.8816     11.3500
   233 CA   VAL     32      0.0049      4.9687      5.9300
   240 CA   THR     33      0.0050      5.0408      6.2700
   247 CA   ILE     34      0.0059      5.4562      5.0400
   255 CA   GLU     35      0.0060      5.5063      7.7600
   264 CA   GLY     36      0.0076      6.3132      2.2400
   268 CA   ILE     37      0.0082      6.5883      8.1100
   276 CA   ILE     38      0.0118      8.3160     15.7100
   284 CA   LYS     39      0.0135      9.1405      4.2600
   293 CA   ILE     40      0.0175     11.0938      5.9800
   301 CA   ARG     41      0.0229     13.7135     10.0400
   312 CA   THR     42      0.0521     27.8814      9.8100
   319 CA   GLY     43      0.0522     27.9173     10.4600
   323 CA   ASN     44      0.0308     17.5525      8.7200
   331 CA   LEU     45      0.0173     10.9919     12.5400
   339 CA   ASN     46      0.0130      8.9079      5.1200
   347 CA   GLN     47      0.0104      7.6306      5.9600
   356 CA   TYR     48      0.0062      5.5899      9.6500
   368 CA   SER     49      0.0059      5.4782      5.9000
   374 CA   GLU     50      0.0057      5.3552     13.4300
   383 CA   GLN     51      0.0060      5.5374      9.6600
   392 CA   GLU     52      0.0053      5.1584     12.4200
   401 CA   LEU     53      0.0051      5.0917      8.3000
   409 CA   LEU     54      0.0081      6.5575     20.1000
   417 CA   ASP     55      0.0094      7.1746     13.8700
   425 CA   CYS     56      0.0094      7.1871     13.7900
   431 CA   ASP     57      0.0092      7.0460     18.7300
   439 CA   ARG     58      0.0189     11.7543     34.1800
   450 CA   ARG     59      0.0202     12.3892     21.6800
   461 CA   SER     60      0.0179     11.2703     14.9700
   467 CA   TYR     61      0.0244     14.4668     18.5600
   479 CA   GLY     62      0.0173     10.9756     20.7400
   483 CA   CYS     63      0.0221     13.3164      6.7800
   489 CA   ASN     64      0.0552     29.3813     13.2400
   497 CA   GLY     65      0.0358     19.9604     14.9500
   501 CA   GLY     66      0.0179     11.2678      5.8500
   505 CA   TYR     67      0.0171     10.8888      8.1300
   517 CA   PRO     68      0.0090      6.9596      9.0900
   524 CA   TRP     69      0.0113      8.1050      8.8700
   538 CA   SER     70      0.0119      8.3982      4.0500
   544 CA   ALA     71      0.0082      6.5830      9.6100
   549 CA   LEU     72      0.0081      6.5385      7.6900
   557 CA   GLN     73      0.0112      8.0200     11.6900
   566 CA   LEU     74      0.0108      7.8251     12.7800
   574 CA   VAL     75      0.0092      7.0548      6.6700
   581 CA   ALA     76      0.0175     11.1107      8.5100
   586 CA   GLN     77      0.0225     13.4999     13.8100
   595 CA   TYR     78      0.0218     13.2052      6.7900
   607 CA   GLY     79      0.0149      9.8480      9.7700
   611 CA   ILE     80      0.0083      6.6248     17.6600
   619 CA   HIS     81      0.0087      6.8343      7.7600
   629 CA   TYR     82      0.0100      7.4422      9.5900
   641 CA   ARG     83      0.0086      6.7868      8.2100
   652 CA   ASN     84      0.0324     18.3451     17.0900
   660 CA   THR     85      0.0231     13.8189      9.1600
   667 CA   TYR     86      0.0107      7.8106      8.2700
   679 CA   PRO     87      0.0146      9.6815     11.9700
   686 CA   TYR     88      0.0135      9.1765     11.7900
   698 CA   GLU     89      0.0166     10.6410     14.1600
   707 CA   GLY     90      0.0230     13.7471     14.7900
   711 CA   VAL     91      0.0252     14.8573     11.5300
   718 CA   GLN     92      0.0201     12.3382     11.2000
   727 CA   ARG     93      0.0219     13.2219     22.8900
   738 CA   TYR     94      0.0309     17.6135     24.0200
   750 CA   CYS     95      0.0193     11.9597     12.6000
   756 CA   ARG     96      0.0168     10.7695     17.4100
   767 CA   SER     97      0.0165     10.6018     10.2100
   773 CA   ARG     98      0.0483     26.0376     25.9500
   784 CA   GLU     99      0.0550     29.3075     23.7400
   793 CA   LYS    100      0.0306     17.4657     25.2800
   802 CA   GLY    101      0.0480     25.8996     14.8700
   806 CA   PRO    102      0.0494     26.5554     57.2600
   813 CA   TYR    103      0.0216     13.0990     19.5600
   825 CA   ALA    104      0.0153     10.0112      8.3800
   830 CA   ALA    105      0.0144      9.6112     14.5700
   835 CA   LYS    106      0.0169     10.7981     13.0400
   844 CA   THR    107      0.0143      9.5357      8.2600
   851 CA   ASP    108      0.0258     15.1365     11.1300
   859 CA   GLY    109      0.0225     13.5176     14.2600
   863 CA   VAL    110      0.0135      9.1334      9.7700
   870 CA   ARG    111      0.0191     11.8520     10.5200
   881 CA   GLN    112      0.0183     11.4705     18.6800
   890 CA   VAL    113      0.0142      9.5180     15.5500
   897 CA   GLN    114      0.0316     17.9497     17.9400
   906 CA   PRO    115      0.0194     12.0307     15.0900
   913 CA   TYR    116      0.0186     11.6179     19.0600
   925 CA   ASN    117      0.0203     12.4786     12.4500
   933 CA   GLN    118      0.0138      9.2993     12.5400
   942 CA   GLY    119      0.0175     11.0841      8.7800
   946 CA   ALA    120      0.0174     11.0500      8.3200
   951 CA   LEU    121      0.0104      7.6591     10.3900
   959 CA   LEU    122      0.0115      8.1999     15.4700
   967 CA   TYR    123      0.0193     11.9681     10.4700
   979 CA   SER    124      0.0094      7.1432      5.9100
   985 CA   ILE    125      0.0073      6.1264      2.0500
   993 CA   ALA    126      0.0125      8.6850     11.0500
   998 CA   ASN    127      0.0170     10.8459     10.6500
  1006 CA   GLN    128      0.0068      5.8864      5.0300
  1015 CA   PRO    129      0.0063      5.6571     11.4200
  1022 CA   VAL    130      0.0052      5.1131      8.1600
  1029 CA   SER    131      0.0052      5.1054      3.6400
  1035 CA   VAL    132      0.0071      6.0535      9.5000
  1042 CA   VAL    133      0.0083      6.6273     11.4700
  1049 CA   LEU    134      0.0103      7.5840      5.5200
  1057 CA   GLN    135      0.0140      9.3985      5.2800
  1066 CA   ALA    136      0.0164     10.5581      9.7100
  1071 CA   ALA    137      0.0369     20.4917     28.0700
  1076 CA   GLY    138      0.0435     23.7044      7.5900
  1080 CA   LYS    139      0.0532     28.4222     17.4500
  1086 CA   ASP    140      0.0284     16.4006     10.5700
  1094 CA   PHE    141      0.0143      9.5376      6.3300
  1105 CA   GLN    142      0.0231     13.8090     17.5800
  1114 CA   LEU    143      0.0368     20.4641     12.3200
  1122 CA   TYR    144      0.0204     12.4865     15.2100
  1134 CA   ARG    145      0.0304     17.3601     15.7600
  1145 CA   GLY    146      0.0241     14.3074      9.1800
  1149 CA   GLY    147      0.0316     17.9510     18.8600
  1153 CA   ILE    148      0.0143      9.5388     12.0500
  1161 CA   PHE    149      0.0117      8.2703     17.9000
  1172 CA   VAL    150      0.0267     15.5507     13.6500
  1179 CA   GLY    151      0.0310     17.6433      7.0300
  1183 CA   PRO    152      0.0423     23.1370      8.1700
  1190 CA   CYS    153      0.0260     15.2091     15.5400
  1196 CA   GLY    154      0.0326     18.4171     15.8800
  1200 CA   ASN    155      0.0245     14.5057     25.0400
  1208 CA   LYS    156      0.0394     21.7090     13.8200
  1217 CA   VAL    157      0.0223     13.4424      9.3300
  1224 CA   ASP    158      0.0259     15.1516     12.3200
  1232 CA   HIS    159      0.0159     10.3429      3.5700
  1242 CA   ALA    160      0.0067      5.8489      7.6300
  1247 CA   VAL    161      0.0061      5.5470      7.4800
  1254 CA   ALA    162      0.0050      5.0527      4.6000
  1259 CA   ALA    163      0.0046      4.8258      1.0000
  1264 CA   VAL    164      0.0058      5.4215      6.4500
  1271 CA   GLY    165      0.0063      5.6411      6.6100
  1275 CA   TYR    166      0.0102      7.5424      5.0200
  1287 CA   GLY    167      0.0130      8.9174     15.3400
  1291 CA   PRO    168      0.0298     17.0770     20.9700
  1298 CA   ASN    169      0.0194     12.0166      9.4300
  1306 CA   TYR    170      0.0086      6.7533     10.7500
  1318 CA   ILE    171      0.0066      5.8249      9.3300
  1326 CA   LEU    172      0.0052      5.1201      4.6600
  1334 CA   ILE    173      0.0052      5.1073     11.1200
  1342 CA   LYS    174      0.0067      5.8777      2.8000
  1351 CA   ASN    175      0.0066      5.7848      8.5600
  1359 CA   SER    176      0.0108      7.8391      5.1700
  1365 CA   TRP    177      0.0109      7.9083      4.6200
  1379 CA   GLY    178      0.0219     13.2428      9.6000
  1383 CA   THR    179      0.0279     16.1310      7.6000
  1390 CA   GLY    180      0.0287     16.5083      8.8600
  1394 CA   TRP    181      0.0160     10.3669     11.7000
  1408 CA   GLY    182      0.0144      9.5936     10.9200
  1412 CA   GLU    183      0.0157     10.2183      6.8800
  1421 CA   ASN    184      0.0320     18.1189     10.5800
  1429 CA   GLY    185      0.0118      8.3105      5.4800
  1433 CA   TYR    186      0.0070      6.0090      6.4000
  1445 CA   ILE    187      0.0068      5.8929      6.5200
  1453 CA   ARG    188      0.0083      6.6196      8.4500
  1464 CA   ILE    189      0.0072      6.0960      7.3700
  1472 CA   LYS    190      0.0133      9.0342      7.1600
  1481 CA   ARG    191      0.0126      8.7417      8.1300
  1492 CA   GLY    192      0.0403     22.1422     14.5400
  1496 CA   THR    193      0.0561     29.8333     35.1200
  1503 CA   GLY    194      0.0740     38.5282     29.7700
  1507 CA   ASN    195      0.0420     22.9867     34.7600
  1515 CA   SER    196      0.0298     17.0602     28.1600
  1521 CA   TYR    197      0.0186     11.6380     12.5000
  1533 CA   GLY    198      0.0124      8.6063      8.5800
  1537 CA   VAL    199      0.0113      8.0987     14.5600
  1544 CA   CYS    200      0.0115      8.1727     21.2700
  1550 CA   GLY    201      0.0118      8.3256     10.6100
  1554 CA   LEU    202      0.0080      6.4662     11.5300
  1562 CA   TYR    203      0.0090      6.9927      3.8100
  1574 CA   THR    204      0.0120      8.4152     12.8600
  1581 CA   SER    205      0.0122      8.5145      9.3500
  1587 CA   SER    206      0.0085      6.7058      6.1100
  1593 CA   PHE    207      0.0083      6.6244     12.6900
  1604 CA   TYR    208      0.0083      6.6429     13.3000
  1616 CA   PRO    209      0.0082      6.5682     12.3600
  1623 CA   VAL    210      0.0181     11.4037      9.9700
  1630 CA   LYS    211      0.0174     11.0529     11.7300
  1639 CA   ASN    212      0.0803     41.5883     22.3400

If you find results from this site helpful for your research, please cite one of our papers:

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.