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***  1cll  ***

B-factor analysis for ID 24071811142358616

Overall B-factor prediction

Correlation= 0.231 for 144 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   LEU      4      1.7762     55.5711     48.8200
     6 CA   THR      5      1.1725     38.3578     46.8400
    13 CA   GLU      6      1.1656     38.1609     45.6500
    22 CA   GLU      7      1.0501     34.8667     39.7800
    31 CA   GLN      8      0.7133     25.2643     32.2300
    40 CA   ILE      9      0.4829     18.6959     35.8700
    48 CA   ALA     10      0.5747     21.3117     29.3500
    53 CA   GLU     11      0.4648     18.1780     31.6900
    62 CA   PHE     12      0.2187     11.1606     26.9300
    73 CA   LYS     13      0.2615     12.3834     22.3300
    82 CA   GLU     14      0.3773     15.6853     21.3600
    91 CA   ALA     15      0.2220     11.2565     20.9400
    96 CA   PHE     16      0.1234      8.4441     15.2700
   107 CA   SER     17      0.3117     13.8151     18.3400
   113 CA   LEU     18      0.3793     15.7402     13.7700
   121 CA   PHE     19      0.2672     12.5440     13.0100
   132 CA   ASP     20      0.3372     14.5407     11.5900
   140 CA   LYS     21      0.6537     23.5662     17.1100
   149 CA   ASP     22      0.9367     31.6357     15.0500
   157 CA   GLY     23      0.7542     26.4322     12.5900
   161 CA   ASP     24      0.8035     27.8361     13.6300
   169 CA   GLY     25      0.4566     17.9466     11.5800
   173 CA   THR     26      0.3071     13.6818      7.6000
   180 CA   ILE     27      0.2358     11.6483     10.5300
   188 CA   THR     28      0.4443     17.5936     13.6600
   195 CA   THR     29      0.6121     22.3801     20.4100
   202 CA   LYS     30      0.8215     28.3497     17.7700
   211 CA   GLU     31      0.5596     20.8815     15.4900
   220 CA   LEU     32      0.4521     17.8180     10.7200
   228 CA   GLY     33      0.8265     28.4927     16.3100
   232 CA   THR     34      0.9389     31.6972     19.1900
   239 CA   VAL     35      0.6914     24.6394     19.2800
   246 CA   MET     36      0.9310     31.4716     24.0400
   254 CA   ARG     37      1.3706     44.0059     24.7200
   265 CA   SER     38      1.3922     44.6224     30.1800
   271 CA   LEU     39      1.4473     46.1931     30.4000
   279 CA   GLY     40      2.0461     63.2678     28.4400
   283 CA   GLN     41      1.7436     54.6424     24.9300
   292 CA   ASN     42      1.8013     56.2867     26.5800
   300 CA   PRO     43      1.5288     48.5170     27.4700
   307 CA   THR     44      1.7350     54.3955     25.7800
   314 CA   GLU     45      1.4167     45.3219     27.1000
   323 CA   ALA     46      1.5432     48.9285     20.9500
   328 CA   GLU     47      1.3105     42.2923     20.5300
   337 CA   LEU     48      0.8698     29.7277     10.7200
   345 CA   GLN     49      0.8719     29.7856     14.4700
   354 CA   ASP     50      0.9619     32.3538     14.3200
   362 CA   MET     51      0.6412     23.2087     12.1800
   370 CA   ILE     52      0.4247     17.0361      9.9200
   378 CA   ASN     53      0.6435     23.2736      7.9200
   386 CA   GLU     54      0.6449     23.3155     17.6100
   395 CA   VAL     55      0.3406     14.6378     18.9000
   402 CA   ASP     56      0.3811     15.7916     14.9300
   410 CA   ALA     57      0.5741     21.2960     20.8600
   415 CA   ASP     58      0.7558     26.4756     22.0600
   423 CA   GLY     59      0.8024     27.8046     17.6400
   427 CA   ASN     60      0.7757     27.0448     16.0100
   435 CA   GLY     61      0.6171     22.5221     19.2400
   439 CA   THR     62      0.3667     15.3807      7.6400
   446 CA   ILE     63      0.1723      9.8393     11.5400
   454 CA   ASP     64      0.1878     10.2821     11.4100
   462 CA   PHE     65      0.1384      8.8731     16.4700
   473 CA   PRO     66      0.2246     11.3290     20.6000
   480 CA   GLU     67      0.1705      9.7865     14.3800
   489 CA   PHE     68      0.0714      6.9610     15.8500
   500 CA   LEU     69      0.1461      9.0917     23.9000
   508 CA   THR     70      0.2851     13.0566     32.1100
   515 CA   MET     71      0.2705     12.6397     35.3900
   523 CA   MET     72      0.2422     11.8325     35.3800
   531 CA   ALA     73      0.3815     15.8048     34.3100
   536 CA   ARG     74      0.5176     19.6836     40.0000
   547 CA   LYS     75      0.4974     19.1073     41.7900
   556 CA   MET     76      0.5413     20.3610     43.4700
   564 CA   LYS     77      0.6490     23.4322     44.1300
   573 CA   ASP     78      0.6856     24.4736     42.1000
   581 CA   THR     79      0.6998     24.8789     42.2000
   588 CA   ASP     80      0.6913     24.6359     46.0600
   596 CA   SER     81      0.6235     22.7054     44.6100
   602 CA   GLU     82      0.6074     22.2444     42.9600
   611 CA   GLU     83      0.6441     23.2919     43.4400
   620 CA   GLU     84      0.5272     19.9594     41.5700
   629 CA   ILE     85      0.3547     15.0400     32.7200
   637 CA   ARG     86      0.4639     18.1530     30.2100
   648 CA   GLU     87      0.5110     19.4974     28.9500
   657 CA   ALA     88      0.2959     13.3622     24.5300
   662 CA   PHE     89      0.2581     12.2854     21.6900
   673 CA   ARG     90      0.4850     18.7549     19.7400
   684 CA   VAL     91      0.4329     17.2705     23.1200
   691 CA   PHE     92      0.2197     11.1893     20.3200
   702 CA   ASP     93      0.3975     16.2595     17.9400
   710 CA   LYS     94      0.6339     22.9993     30.2100
   719 CA   ASP     95      1.0120     33.7817     34.2600
   727 CA   GLY     96      1.0090     33.6973     37.4300
   731 CA   ASN     97      1.1774     38.4971     33.0400
   739 CA   GLY     98      0.8912     30.3375     26.5100
   743 CA   TYR     99      0.5742     21.2983     22.3100
   755 CA   ILE    100      0.2836     13.0118     17.0200
   763 CA   SER    101      0.3692     15.4537     19.6400
   769 CA   ALA    102      0.3289     14.3052     18.7000
   774 CA   ALA    103      0.4394     17.4557     14.5800
   779 CA   GLU    104      0.3148     13.9024     13.5100
   788 CA   LEU    105      0.1700      9.7737     17.4700
   796 CA   ARG    106      0.3579     15.1323     13.4800
   807 CA   HIS    107      0.5286     19.9972     18.4400
   817 CA   VAL    108      0.4145     16.7437     18.3800
   824 CA   MET    109      0.4837     18.7175     17.8500
   832 CA   THR    110      0.8700     29.7313     22.3100
   839 CA   ASN    111      1.0153     33.8756     21.5900
   847 CA   LEU    112      0.9718     32.6365     21.9400
   855 CA   GLY    113      1.4255     45.5725     13.8500
   859 CA   GLU    114      1.0989     36.2596     20.6800
   868 CA   LYS    115      1.1483     37.6668     16.3500
   877 CA   LEU    116      0.8600     29.4480     11.4700
   885 CA   THR    117      0.9723     32.6509     10.4500
   892 CA   ASP    118      0.7533     26.4052     10.4000
   903 CA   GLU    119      0.9642     32.4186     15.4600
   912 CA   GLU    120      0.8194     28.2906     13.8100
   921 CA   VAL    121      0.4476     17.6896     20.5600
   928 CA   ASP    122      0.6019     22.0889     18.1500
   936 CA   GLU    123      0.7918     27.5031     17.6400
   945 CA   MET    124      0.4871     18.8135     19.5200
   953 CA   ILE    125      0.4155     16.7741     18.7200
   961 CA   ARG    126      0.8068     27.9307     24.4500
   972 CA   GLU    127      0.8614     29.4862     26.3400
   981 CA   ALA    128      0.6324     22.9566     23.7700
   986 CA   ASP    129      0.8214     28.3475     26.6800
   994 CA   ILE    130      1.3086     42.2376     32.1700
  1002 CA   ASP    131      1.6153     50.9823     36.4000
  1010 CA   GLY    132      1.4890     47.3811     34.5200
  1014 CA   ASP    133      1.3255     42.7194     28.4600
  1022 CA   GLY    134      0.8628     29.5278     29.3800
  1026 CA   GLN    135      0.5645     21.0225     28.6100
  1035 CA   VAL    136      0.4079     16.5563     26.0200
  1042 CA   ASN    137      0.6029     22.1180     26.1800
  1050 CA   TYR    138      0.5267     19.9442     23.5000
  1062 CA   GLU    139      0.7953     27.6031     24.2600
  1071 CA   GLU    140      0.6156     22.4778     21.1600
  1080 CA   PHE    141      0.3072     13.6864     23.6500
  1091 CA   VAL    142      0.4584     17.9963     32.9100
  1098 CA   GLN    143      0.7051     25.0319     44.9900
  1107 CA   MET    144      0.4886     18.8585     51.2000
  1115 CA   MET    145      0.3979     16.2713     56.6500
  1123 CA   THR    146      0.7499     26.3070     65.3400
  1130 CA   ALA    147      1.0878     35.9417     69.0800

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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.