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***  HYDROLASE/HYDROLASE INHIBITOR 29-OCT-17 5YOK  ***

B-factor analysis for ID 21062218281741693

Overall B-factor prediction

Correlation= 0.628 for 221 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   PRO      1      0.0127     12.8073     14.1200
    16 CA   GLN      2      0.0083     10.1252      9.1500
    33 CA   ILE      3      0.0035      7.2150      9.5800
    52 CA   THR      4      0.0047      7.9660      9.1900
    66 CA   LEU      5      0.0025      6.6319      6.4700
    85 CA   TRP      6      0.0077      9.7835      7.0400
   109 CA   LYS      7      0.0085     10.2431      8.2900
   144 CA   ARG      8      0.0036      7.2932      6.4800
   180 CA   PRO      9      0.0023      6.4647      6.5900
   194 CA   LEU     10      0.0035      7.2012      7.5900
   213 CA   VAL     11      0.0029      6.8782      7.6500
   229 CA   THR     12      0.0050      8.1428      8.8700
   243 CA   ILE     13      0.0028      6.7586      8.1100
   262 CA   LYS     14      0.0041      7.6089      9.8800
   284 CA   ILE     15      0.0028      6.8183      9.6800
   303 CA   GLY     16      0.0051      8.2001     11.8700
   310 CA   GLY     17      0.0211     17.9057     14.8500
   317 CA   GLN     18      0.0084     10.1751     10.0200
   334 CA   LEU     19      0.0087     10.3646      9.5200
   353 CA   LYS     20      0.0045      7.8514      8.2500
   375 CA   GLU     21      0.0042      7.6533      7.8800
   390 CA   ALA     22      0.0022      6.3949      5.8400
   400 CA   LEU     23      0.0020      6.2802      5.4100
   419 CA   LEU     24      0.0016      6.0433      5.4200
   438 CA   ASP     25      0.0015      6.0151      4.6700
   453 CA   THR     26      0.0015      6.0234      4.6100
   467 CA   GLY     27      0.0019      6.2104      5.0500
   474 CA   ALA     28      0.0022      6.4090      4.5200
   484 CA   ASP     29      0.0044      7.7319      5.1800
   497 CA   ASP     30      0.0022      6.4329      6.3900
   498 CA   ASP     30      0.0022      6.4446      5.3900
   516 CA   THR     31      0.0014      5.9345      4.7600
   530 CA   VAL     32      0.0014      5.9156      4.7100
   546 CA   ILE     33      0.0017      6.0921      5.2600
   565 CA   GLU     34      0.0033      7.0848      6.0300
   580 CA   GLU     35      0.0054      8.3685      6.9100
   595 CA   MET     36      0.0049      8.0911      7.8700
   612 CA   SER     37      0.0083     10.1630      9.8000
   613 CA   SER     37      0.0082     10.0835      9.9400
   630 CA   LEU     38      0.0050      8.1169     10.0500
   649 CA   PRO     39      0.0130     12.9641     19.2600
   663 CA   GLY     40      0.0302     23.4404     20.4400
   670 CA   ARG     41      0.0245     20.0197     16.6200
   694 CA   TRP     42      0.0083     10.1436     11.4100
   718 CA   LYS     43      0.0098     11.0348     13.1700
   740 CA   PRO     44      0.0075      9.6482      9.1400
   754 CA   LYS     45      0.0052      8.2284      7.7300
   776 CA   MET     46      0.0067      9.1710      6.7400
   815 CA   ILE     47      0.0040      7.5214      6.6600
   835 CA   GLY     48      0.0049      8.0787      7.3400
   836 CA   GLY     48      0.0050      8.1567      7.5600
   849 CA   GLY     49      0.0042      7.6307      5.8500
   850 CA   GLY     49      0.0042      7.6230      5.7800
   863 CA   ILE     50      0.0029      6.8270      6.1000
   864 CA   ILE     50      0.0029      6.8466      5.5700
   901 CA   GLY     51      0.0038      7.3812      8.2100
   902 CA   GLY     51      0.0035      7.2366      6.9100
   914 CA   GLY     52      0.0050      8.1533      8.4400
   921 CA   PHE     53      0.0063      8.9350      6.4100
   941 CA   ILE     54      0.0042      7.6417      6.4800
   960 CA   LYS     55      0.0060      8.7059      6.3700
   989 CA   VAL     56      0.0032      7.0239      6.1300
  1005 CA   ARG     57      0.0038      7.4205      7.4100
  1041 CA   GLN     58      0.0035      7.2411      6.8900
  1058 CA   TYR     59      0.0038      7.3816      7.5000
  1079 CA   ASP     60      0.0065      9.0090      9.7000
  1091 CA   GLN     61      0.0084     10.2200     10.7800
  1113 CA   ILE     62      0.0035      7.2394      8.4900
  1133 CA   ILE     63      0.0035      7.2299      8.3100
  1134 CA   ILE     63      0.0043      7.7125      8.6600
  1171 CA   ILE     64      0.0023      6.4637      8.8800
  1172 CA   ILE     64      0.0025      6.6048      8.6600
  1208 CA   GLU     65      0.0034      7.1431     10.3600
  1223 CA   ILE     66      0.0023      6.5071      8.6100
  1242 CA   ALA     67      0.0038      7.4072     12.4500
  1252 CA   GLY     68      0.0093     10.7172     14.5500
  1259 CA   HIS     69      0.0049      8.0916     11.0300
  1276 CA   LYS     70      0.0054      8.3761     14.0800
  1299 CA   ALA     71      0.0034      7.1617     11.6300
  1300 CA   ALA     71      0.0037      7.3541      8.2400
  1318 CA   ILE     72      0.0046      7.9113      8.2100
  1337 CA   GLY     73      0.0038      7.3948      7.6100
  1344 CA   THR     74      0.0028      6.7907      6.6700
  1358 CA   VAL     75      0.0017      6.1057      5.8800
  1374 CA   LEU     76      0.0017      6.0993      5.1000
  1393 CA   VAL     77      0.0022      6.4376      5.4400
  1409 CA   GLY     78      0.0029      6.8467      6.3100
  1416 CA   PRO     79      0.0045      7.8039      7.1600
  1430 CA   THR     80      0.0028      6.7748      6.7400
  1444 CA   PRO     81      0.0045      7.8416      9.0200
  1458 CA   VAL     82      0.0030      6.9107      8.0700
  1474 CA   ASN     83      0.0022      6.4168      5.5000
  1488 CA   ILE     84      0.0016      6.0557      4.9100
  1507 CA   ILE     85      0.0013      5.8745      4.9200
  1526 CA   GLY     86      0.0016      6.0679      4.6900
  1533 CA   ARG     87      0.0021      6.3598      4.7600
  1557 CA   ASN     88      0.0023      6.4966      5.5100
  1571 CA   LEU     89      0.0020      6.2827      5.1900
  1590 CA   LEU     90      0.0016      6.0879      5.1600
  1609 CA   THR     91      0.0030      6.9242      5.6000
  1623 CA   GLN     92      0.0042      7.6615      5.8800
  1640 CA   ILE     93      0.0032      7.0178      7.1200
  1659 CA   GLY     94      0.0038      7.3848      8.1100
  1666 CA   ALA     95      0.0023      6.5040      6.9000
  1676 CA   THR     96      0.0027      6.7558      7.1800
  1690 CA   LEU     97      0.0021      6.3564      7.5600
  1722 CA   ASN     98      0.0036      7.2753      8.1000
  1736 CA   PHE     99      0.0043      7.6892     10.0200
  1757 CA   PRO      1      0.0119     12.2982     16.5300
  1771 CA   GLN      2      0.0078      9.8267     13.2400
  1788 CA   ILE      3      0.0034      7.1505     10.5200
  1807 CA   THR      4      0.0046      7.8545      8.6500
  1821 CA   LEU      5      0.0026      6.6897      6.1000
  1840 CA   TRP      6      0.0079      9.9099      6.3900
  1864 CA   LYS      7      0.0099     11.0777      7.9000
  1890 CA   ARG      8      0.0042      7.6694      6.2100
  1914 CA   PRO      9      0.0023      6.4816      6.0000
  1928 CA   LEU     10      0.0032      7.0512      6.8800
  1947 CA   VAL     11      0.0029      6.8390      6.4000
  1963 CA   THR     12      0.0045      7.8500      6.1400
  1977 CA   ILE     13      0.0024      6.5698      5.7400
  1996 CA   LYS     14      0.0037      7.3316      5.7400
  2026 CA   ILE     15      0.0028      6.8047      7.7500
  2027 CA   ILE     15      0.0028      6.7858      7.0800
  2063 CA   GLY     16      0.0060      8.7480     13.9900
  2070 CA   GLY     17      0.0143     13.7563     11.4500
  2077 CA   GLN     18      0.0083     10.1457      9.4500
  2094 CA   LEU     19      0.0077      9.7724      7.3200
  2113 CA   LYS     20      0.0039      7.4402      6.8100
  2135 CA   GLU     21      0.0037      7.3548      6.4900
  2154 CA   ALA     22      0.0018      6.1974      5.1100
  2164 CA   LEU     23      0.0018      6.1835      4.6600
  2183 CA   LEU     24      0.0015      6.0251      4.8200
  2202 CA   ASP     25      0.0015      5.9681      4.5300
  2217 CA   THR     26      0.0015      5.9957      4.7700
  2231 CA   GLY     27      0.0018      6.1900      5.3700
  2238 CA   ALA     28      0.0018      6.1938      5.0000
  2248 CA   ASP     29      0.0030      6.9060      5.9700
  2261 CA   ASP     30      0.0019      6.2233      6.2000
  2262 CA   ASP     30      0.0018      6.1993      6.0200
  2284 CA   THR     31      0.0011      5.7580      4.9300
  2299 CA   VAL     32      0.0011      5.7368      5.0600
  2300 CA   VAL     32      0.0011      5.7338      5.6000
  2330 CA   ILE     33      0.0012      5.8352      7.1200
  2361 CA   GLU     34      0.0022      6.4208     10.7000
  2362 CA   GLU     34      0.0022      6.4111      6.8300
  2391 CA   GLU     35      0.0040      7.5259     12.9900
  2392 CA   GLU     35      0.0040      7.5369      8.5700
  2420 CA   MET     36      0.0037      7.3373     11.4400
  2437 CA   SER     37      0.0084     10.1765     14.9800
  2450 CA   LEU     38      0.0046      7.8681     10.4700
  2469 CA   PRO     39      0.0159     14.7863     14.1100
  2483 CA   GLY     40      0.0396     29.1940     11.3800
  2490 CA   ARG     41      0.0250     20.2991      8.5800
  2514 CA   TRP     42      0.0080      9.9567      7.0400
  2538 CA   LYS     43      0.0087     10.4043      7.7500
  2573 CA   PRO     44      0.0077      9.7581      8.0900
  2588 CA   LYS     45      0.0044      7.7380      7.5300
  2589 CA   LYS     45      0.0044      7.7785      8.9500
  2631 CA   MET     46      0.0053      8.2918     11.2000
  2656 CA   ILE     47      0.0032      7.0533      9.6200
  2676 CA   GLY     48      0.0046      7.9083      7.5500
  2677 CA   GLY     48      0.0044      7.7341      6.9200
  2690 CA   GLY     49      0.0041      7.5728      6.1600
  2691 CA   GLY     49      0.0044      7.7425      6.2800
  2704 CA   ILE     50      0.0034      7.1445      5.5200
  2705 CA   ILE     50      0.0033      7.1151      6.5500
  2742 CA   GLY     51      0.0039      7.4818      6.9100
  2743 CA   GLY     51      0.0042      7.6461      9.3000
  2755 CA   GLY     52      0.0056      8.4864      9.3800
  2762 CA   PHE     53      0.0058      8.6134     14.4100
  2782 CA   ILE     54      0.0033      7.0981     11.2500
  2801 CA   LYS     55      0.0046      7.8550     10.0000
  2823 CA   VAL     56      0.0025      6.6320      7.9500
  2839 CA   ARG     57      0.0031      6.9621      6.8800
  2863 CA   GLN     58      0.0030      6.9141      6.1100
  2880 CA   TYR     59      0.0033      7.1168      6.3200
  2901 CA   ASP     60      0.0060      8.7471      8.3800
  2913 CA   GLN     61      0.0090     10.5586      8.3100
  2938 CA   ILE     62      0.0035      7.1863      6.5100
  2957 CA   ILE     63      0.0043      7.7187      7.8500
  2976 CA   ILE     64      0.0023      6.4533      7.5000
  2995 CA   GLU     65      0.0033      7.0930      7.3500
  3016 CA   ILE     66      0.0022      6.4337      6.7000
  3039 CA   ALA     67      0.0038      7.3784      8.0300
  3049 CA   GLY     68      0.0074      9.5926      9.2400
  3056 CA   HIS     69      0.0052      8.2510      7.4400
  3073 CA   LYS     70      0.0061      8.7725     10.9200
  3095 CA   ALA     71      0.0035      7.2108      7.9900
  3105 CA   ILE     72      0.0056      8.5166      6.1100
  3124 CA   GLY     73      0.0039      7.4507      6.3300
  3131 CA   THR     74      0.0024      6.5368      5.7800
  3145 CA   VAL     75      0.0013      5.8860      5.4800
  3161 CA   LEU     76      0.0013      5.8489      5.2300
  3180 CA   VAL     77      0.0015      6.0105      6.7200
  3196 CA   GLY     78      0.0021      6.3645      9.3100
  3204 CA   PRO     79      0.0031      6.9508      8.8900
  3205 CA   PRO     79      0.0030      6.9140      9.0700
  3232 CA   THR     80      0.0022      6.4129      5.7000
  3233 CA   THR     80      0.0022      6.4273      7.0800
  3260 CA   PRO     81      0.0035      7.1988      7.1400
  3261 CA   PRO     81      0.0035      7.1861      7.4200
  3288 CA   VAL     82      0.0026      6.6592      6.5500
  3289 CA   VAL     82      0.0026      6.6544      6.4600
  3319 CA   ASN     83      0.0017      6.1178      5.0300
  3333 CA   ILE     84      0.0014      5.9353      4.8200
  3352 CA   ILE     85      0.0011      5.7616      4.4100
  3371 CA   GLY     86      0.0014      5.9366      4.7300
  3378 CA   ARG     87      0.0019      6.2648      4.9900
  3402 CA   ASN     88      0.0020      6.3259      5.7300
  3416 CA   LEU     89      0.0018      6.1494      5.7700
  3435 CA   LEU     90      0.0016      6.0692      5.5600
  3454 CA   THR     91      0.0030      6.9393      6.7900
  3468 CA   GLN     92      0.0039      7.4565      8.5100
  3485 CA   ILE     93      0.0033      7.0857      9.8200
  3504 CA   GLY     94      0.0040      7.5189     10.4900
  3511 CA   ALA     95      0.0024      6.5593      7.3500
  3521 CA   THR     96      0.0028      6.8070      7.3600
  3535 CA   LEU     97      0.0021      6.3475      7.2500
  3564 CA   ASN     98      0.0035      7.2283      7.4600
  3578 CA   PHE     99      0.0043      7.6855      9.4800

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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.