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***  1NL2  ***

B-factor analysis for ID 22031018430786271

Overall B-factor prediction

Correlation= 0.563 for 136 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      0.1908     47.1935     40.6100
     7 CA   ASN      2      0.3694     57.4897     51.6200
    15 CA   LYS      3      0.5908     70.2589     68.3100
    24 CA   GLY      4      0.8544     85.4574     76.1600
    28 CA   PHE      5      0.8899     87.5046     69.0700
    39 CA   LEU      6      0.8211     83.5378     42.9400
    47 CA   VAL      9      0.8356     84.3733     42.8900
    54 CA   ARG     10      0.4639     62.9426     53.8200
    65 CA   LYS     11      0.3917     58.7800     56.3700
    74 CA   GLY     12      0.2265     49.2529     47.4400
    78 CA   ASN     13      0.1258     43.4483     39.0300
    86 CA   LEU     14      0.0680     40.1158     36.8600
    94 CA   ARG     16      0.1221     43.2353     37.8900
   105 CA   CYS     18      0.0452     38.7966     36.6500
   111 CA   LEU     19      0.0564     39.4472     35.3100
   119 CA   PRO     22      0.0762     40.5863     32.9300
   126 CA   CYS     23      0.0608     39.6981     34.2300
   132 CA   SER     24      0.1052     42.2606     38.4700
   138 CA   ARG     25      0.0714     40.3117     41.2400
   149 CA   ALA     28      0.0524     39.2132     28.3600
   154 CA   PHE     29      0.0863     41.1675     31.1300
   165 CA   ALA     31      0.1131     42.7160     42.4000
   170 CA   LEU     32      0.1031     42.1400     45.5900
   178 CA   SER     34      0.1817     46.6680     59.2500
   184 CA   LEU     35      0.1371     44.0961     50.3000
   192 CA   SER     36      0.1426     44.4180     46.1700
   198 CA   ALA     37      0.0996     41.9360     36.0200
   203 CA   THR     38      0.0647     39.9230     34.9300
   210 CA   ASP     39      0.0667     40.0408     30.2600
   218 CA   ALA     40      0.0514     39.1559     27.4100
   223 CA   PHE     41      0.0437     38.7145     31.5200
   234 CA   TRP     42      0.0430     38.6749     40.7700
   248 CA   ALA     43      0.0405     38.5303     38.8300
   253 CA   LYS     44      0.0306     37.9575     36.9400
   262 CA   TYR     45      0.0346     38.1882     31.7300
   274 CA   THR     46      0.0408     38.5449     34.7800
   281 CA   ALA     47      0.0306     37.9563     32.2200
   286 CA   CYS     48      0.0297     37.9060     30.8000
   292 CA   GLU     49      0.0458     38.8311     63.1300
   301 CA   SER     50      0.0553     39.3800     51.3500
   307 CA   ALA     51      0.0429     38.6639     36.1900
   312 CA   ARG     52      0.0475     38.9319     50.3500
   323 CA   ASN     53      0.0894     41.3482     48.0300
   331 CA   PRO     54      0.1069     42.3583     47.2200
   338 CA   ARG     55      0.0745     40.4888     46.1800
   349 CA   GLU     56      0.0791     40.7539     46.3700
   362 CA   LYS     57      0.0474     38.9253     42.7600
   371 CA   LEU     58      0.0364     38.2900     40.6400
   379 CA   ASN     59      0.0443     38.7470     41.0100
   387 CA   GLU     60      0.0348     38.1977     38.5300
   396 CA   CYS     61      0.0239     37.5690     41.2800
   402 CA   LEU     62      0.0265     37.7227     41.1700
   410 CA   GLU     63      0.0392     38.4532     38.5600
   419 CA   GLY     64      0.0224     37.4863     35.2700
   423 CA   ASN     65      0.0290     37.8634     38.1600
   431 CA   CYS     66      0.0231     37.5244     35.8900
   437 CA   ALA     67      0.0198     37.3351     40.0300
   442 CA   GLU     68      0.0233     37.5350     40.3300
   451 CA   GLY     69      0.0418     38.6028     39.3200
   455 CA   VAL     70      0.0392     38.4518     45.4700
   462 CA   GLY     71      0.0189     37.2843     45.8100
   466 CA   MET     72      0.0214     37.4291     41.9300
   474 CA   ASN     73      0.0204     37.3702     37.9300
   482 CA   TYR     74      0.0169     37.1656     41.7100
   494 CA   ARG     75      0.0214     37.4282     41.2100
   505 CA   GLY     76      0.0252     37.6481     39.0500
   509 CA   ASN     77      0.0371     38.3311     43.2300
   517 CA   VAL     78      0.0275     37.7791     34.0800
   524 CA   SER     79      0.0273     37.7672     42.5200
   530 CA   VAL     80      0.0360     38.2692     42.5000
   537 CA   THR     81      0.0313     37.9949     41.4200
   544 CA   ARG     82      0.0566     39.4573     49.3600
   555 CA   SER     83      0.0999     41.9530     52.9400
   561 CA   GLY     84      0.0978     41.8345     43.2200
   565 CA   ILE     85      0.0568     39.4663     44.3900
   573 CA   GLU     86      0.0487     39.0019     35.8300
   582 CA   CYS     87      0.0221     37.4683     41.3100
   588 CA   GLN     88      0.0218     37.4477     34.1600
   597 CA   LEU     89      0.0261     37.7001     40.4500
   605 CA   TRP     90      0.0161     37.1229     40.0200
   619 CA   ARG     91      0.0478     38.9519     39.3200
   630 CA   SER     92      0.0472     38.9173     30.5500
   636 CA   ARG     93      0.0607     39.6934     38.4800
   647 CA   TYR     94      0.0577     39.5220     36.2600
   659 CA   PRO     95      0.0533     39.2648     28.1500
   666 CA   HIS     96      0.0348     38.1989     44.7600
   676 CA   LYS     97      0.0458     38.8320     47.7600
   685 CA   PRO     98      0.0271     37.7560     37.5500
   692 CA   GLU     99      0.0445     38.7579     39.1300
   701 CA   ILE    100      0.0301     37.9297     40.5500
   709 CA   ASN    101      0.0370     38.3264     53.3800
   717 CA   SER    102      0.0541     39.3111     48.3400
   723 CA   THR    103      0.1173     42.9546     52.1300
   730 CA   THR    104      0.0824     40.9435     52.9900
   737 CA   HIS    105      0.0572     39.4928     48.8300
   747 CA   PRO    106      0.0826     40.9578     52.7300
   754 CA   GLY    107      0.0572     39.4885     46.7900
   758 CA   ALA    108      0.0321     38.0435     34.7400
   763 CA   ASP    109      0.0327     38.0808     32.2400
   771 CA   LEU    110      0.0222     37.4725     41.2900
   779 CA   ARG    111      0.0362     38.2824     41.8200
   790 CA   GLU    112      0.0384     38.4068     30.6200
   799 CA   ASN    113      0.0209     37.3959     33.0100
   807 CA   PHE    114      0.0162     37.1281     39.2000
   818 CA   CYS    115      0.0089     36.7045     38.7300
   824 CA   ARG    116      0.0093     36.7302     27.3300
   835 CA   ASN    117      0.0151     37.0648     37.9300
   843 CA   PRO    118      0.0252     37.6466     35.0200
   850 CA   ASP    119      0.0409     38.5539     30.7600
   858 CA   GLY    120      0.0455     38.8191     31.9300
   862 CA   SER    121      0.0389     38.4352     41.1600
   868 CA   ILE    122      0.0968     41.7725     39.0900
   876 CA   THR    123      0.0703     40.2471     31.8100
   883 CA   GLY    124      0.0256     37.6700     29.9600
   887 CA   PRO    125      0.0116     36.8627     36.1800
   894 CA   TRP    126      0.0102     36.7810     34.9800
   908 CA   CYS    127      0.0079     36.6508     34.0400
   914 CA   TYR    128      0.0115     36.8576     33.6500
   926 CA   THR    129      0.0250     37.6354     29.7100
   933 CA   THR    130      0.0436     38.7065     42.6000
   940 CA   SER    131      0.0711     40.2945     37.4900
   946 CA   PRO    132      0.1058     42.2934     46.5500
   953 CA   THR    133      0.1616     45.5114     53.1500
   960 CA   LEU    134      0.0621     39.7764     44.5000
   968 CA   ARG    135      0.0365     38.2993     42.7200
   979 CA   ARG    136      0.0225     37.4911     37.5700
   990 CA   GLU    137      0.0278     37.7934     34.9900
   999 CA   GLU    138      0.0243     37.5941     32.6500
  1008 CA   CYS    139      0.0222     37.4740     35.5600
  1014 CA   SER    140      0.0525     39.2194     44.3200
  1020 CA   VAL    141      0.0330     38.0957     45.7100
  1027 CA   PRO    142      0.0527     39.2332     40.8300
  1034 CA   VAL    143      0.0586     39.5743     46.0900
  1041 CA   CYS    144      0.0393     38.4617     42.7000
  1047 CA   GLY    145      0.3153     54.3746     57.3800
  1051 CA   GLN    146      0.2866     52.7206     82.2000

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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.