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***  OXYGEN TRANSPORT 13-DEC-97 101M  ***

B-factor analysis for ID 211108160546133634

Overall B-factor prediction

Correlation= 0.363 for 154 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   MET      0      0.0857     35.8935     37.9000
    10 CA   VAL      1      0.0823     34.9168     32.4600
    17 CA   LEU      2      0.0278     19.0980     25.2100
    25 CA   SER      3      0.0565     27.4280     22.6200
    31 CA   GLU      4      0.0521     26.1414     24.0400
    40 CA   GLY      5      0.0457     24.2896     18.1200
    44 CA   GLU      6      0.0201     16.8756     13.5900
    53 CA   TRP      7      0.0156     15.5650     15.7200
    67 CA   GLN      8      0.0251     18.3215     16.0100
    76 CA   LEU      9      0.0161     15.7055     14.8700
    84 CA   VAL     10      0.0105     14.0887     13.5000
    91 CA   LEU     11      0.0140     15.0862     14.8000
    99 CA   HIS     12      0.0216     17.3026     15.9500
   109 CA   VAL     13      0.0119     14.4787     15.6400
   116 CA   TRP     14      0.0137     15.0055     14.7500
   130 CA   ALA     15      0.0236     17.8769     14.0000
   135 CA   LYS     16      0.0226     17.6004     17.8200
   144 CA   VAL     17      0.0156     15.5698     12.2900
   151 CA   GLU     18      0.0254     18.4009     14.9400
   160 CA   ALA     19      0.0648     29.8338     14.9400
   165 CA   ASP     20      0.0340     20.9029     12.7200
   173 CA   VAL     21      0.0210     17.1347     16.0600
   180 CA   ALA     22      0.0231     17.7298     15.5800
   185 CA   GLY     23      0.0217     17.3136     13.9500
   189 CA   HIS     24      0.0144     15.2141     12.6700
   199 CA   GLY     25      0.0137     15.0003     13.1700
   203 CA   GLN     26      0.0130     14.7922     15.1600
   212 CA   ASP     27      0.0137     15.0197     12.7000
   220 CA   ILE     28      0.0104     14.0346     13.7600
   228 CA   LEU     29      0.0102     13.9989     15.6800
   236 CA   ILE     30      0.0120     14.5063     16.6000
   244 CA   ARG     31      0.0137     14.9937     17.7200
   255 CA   LEU     32      0.0110     14.2259     18.8900
   263 CA   PHE     33      0.0125     14.6471     20.5600
   274 CA   LYS     34      0.0217     17.3252     25.0900
   283 CA   SER     35      0.0210     17.1315     26.2100
   289 CA   HIS     36      0.0183     16.3345     25.0700
   299 CA   PRO     37      0.0263     18.6677     24.5200
   306 CA   GLU     38      0.0272     18.9283     27.2300
   315 CA   THR     39      0.0172     16.0346     22.4300
   322 CA   LEU     40      0.0196     16.7100     24.1900
   330 CA   GLU     41      0.0295     19.5796     24.5500
   339 CA   LYS     42      0.0299     19.6914     25.6000
   348 CA   PHE     43      0.0273     18.9485     32.8600
   359 CA   ASP     44      0.0572     27.6142     41.6300
   367 CA   ARG     45      0.0468     24.6075     41.4500
   378 CA   VAL     46      0.0231     17.7275     38.3300
   385 CA   LYS     47      0.0314     20.1380     23.4800
   394 CA   HIS     48      0.0630     29.2921     31.2200
   404 CA   LEU     49      0.0365     21.6119     29.2700
   412 CA   LYS     50      0.0928     37.9592     29.9400
   421 CA   THR     51      0.0862     36.0321     23.8900
   428 CA   GLU     52      0.0471     24.6823     23.7200
   437 CA   ALA     53      0.0659     30.1544     21.3200
   442 CA   GLU     54      0.0447     24.0061     20.6000
   451 CA   MET     55      0.0206     17.0004     22.2400
   459 CA   LYS     56      0.0351     21.2098     22.7100
   468 CA   ALA     57      0.0697     31.2636     24.1000
   473 CA   SER     58      0.0310     20.0356     23.6800
   479 CA   GLU     59      0.0473     24.7420     24.6900
   488 CA   ASP     60      0.0331     20.6243     22.1600
   496 CA   LEU     61      0.0169     15.9236     18.5700
   504 CA   LYS     62      0.0214     17.2416     25.1700
   513 CA   LYS     63      0.0335     20.7568     17.8400
   522 CA   HIS     64      0.0244     18.0954     16.6700
   532 CA   GLY     65      0.0173     16.0645     15.9700
   536 CA   VAL     66      0.0235     17.8417     15.8800
   543 CA   THR     67      0.0424     23.3448     16.5700
   550 CA   VAL     68      0.0251     18.3163     16.3200
   557 CA   LEU     69      0.0178     16.2010     14.9600
   565 CA   THR     70      0.0285     19.3000     14.5700
   572 CA   ALA     71      0.0337     20.8032     13.9900
   577 CA   LEU     72      0.0156     15.5497     13.5600
   585 CA   GLY     73      0.0206     17.0064     14.4600
   589 CA   ALA     74      0.0248     18.2368     15.7600
   594 CA   ILE     75      0.0153     15.4605     15.4700
   602 CA   LEU     76      0.0122     14.5847     15.3300
   610 CA   LYS     77      0.0188     16.4803     13.7500
   619 CA   LYS     78      0.0227     17.6029     18.2800
   628 CA   LYS     79      0.0233     17.7936     14.0300
   637 CA   GLY     80      0.0236     17.8817     17.9300
   641 CA   HIS     81      0.0401     22.6593     17.9600
   651 CA   HIS     82      0.0204     16.9511     18.1200
   661 CA   GLU     83      0.0375     21.9172     24.1200
   670 CA   ALA     84      0.0589     28.1239     25.6500
   675 CA   GLU     85      0.0303     19.8164     24.2900
   684 CA   LEU     86      0.0212     17.1746     22.3700
   692 CA   LYS     87      0.0361     21.5085     30.3900
   701 CA   PRO     88      0.0588     28.0879     19.3800
   708 CA   LEU     89      0.0281     19.1964     19.3000
   716 CA   ALA     90      0.0196     16.7068     17.7900
   721 CA   GLN     91      0.0314     20.1371     17.6400
   730 CA   SER     92      0.0413     23.0045     17.9300
   736 CA   HIS     93      0.0251     18.3168     18.3200
   746 CA   ALA     94      0.0218     17.3591     20.3400
   751 CA   THR     95      0.0437     23.7104     22.0200
   758 CA   LYS     96      0.0713     31.7127     26.8800
   767 CA   HIS     97      0.0446     23.9831     32.2300
   777 CA   LYS     98      0.0314     20.1377     23.1300
   786 CA   ILE     99      0.0218     17.3422     21.1700
   794 CA   PRO    100      0.0204     16.9352     22.5700
   801 CA   ILE    101      0.0170     15.9730     24.9600
   809 CA   LYS    102      0.0227     17.6101     20.4800
   818 CA   TYR    103      0.0165     15.8307     16.8800
   830 CA   LEU    104      0.0148     15.3267     15.9900
   838 CA   GLU    105      0.0175     16.1029     16.1100
   847 CA   PHE    106      0.0158     15.6041     15.1700
   858 CA   ILE    107      0.0127     14.7102     14.4800
   866 CA   SER    108      0.0155     15.5326     15.6800
   872 CA   GLU    109      0.0176     16.1232     19.0200
   881 CA   ALA    110      0.0113     14.2973     12.2300
   886 CA   ILE    111      0.0112     14.2747     12.3800
   894 CA   ILE    112      0.0140     15.1042     14.9100
   902 CA   HIS    113      0.0191     16.5713     15.1300
   912 CA   VAL    114      0.0136     14.9764     14.7300
   919 CA   LEU    115      0.0120     14.5112     13.9100
   927 CA   HIS    116      0.0182     16.3201     15.4400
   937 CA   SER    117      0.0295     19.5963     17.4600
   943 CA   ARG    118      0.0240     18.0077     16.0900
   954 CA   HIS    119      0.0198     16.7810     16.5200
   964 CA   PRO    120      0.0382     22.1119     18.4400
   971 CA   GLY    121      0.1943     67.3851     19.4900
   975 CA   ASN    122      0.0275     19.0173     17.5600
   983 CA   PHE    123      0.0195     16.7024     15.2200
   994 CA   GLY    124      0.0593     28.2314     14.5200
   998 CA   ALA    125      0.1046     41.3870     14.9400
  1003 CA   ASP    126      0.0678     30.7055     10.9900
  1011 CA   ALA    127      0.0180     16.2673     13.1900
  1016 CA   GLN    128      0.0189     16.5176     13.4500
  1025 CA   GLY    129      0.0248     18.2159     13.2500
  1029 CA   ALA    130      0.0148     15.3357     13.2000
  1034 CA   MET    131      0.0103     14.0084     14.1500
  1042 CA   ASN    132      0.0168     15.9103     14.7700
  1050 CA   LYS    133      0.0194     16.6462     14.8200
  1059 CA   ALA    134      0.0116     14.4092     13.4700
  1064 CA   LEU    135      0.0114     14.3492     13.9800
  1072 CA   GLU    136      0.0174     16.0895     16.0400
  1081 CA   LEU    137      0.0145     15.2368     15.9600
  1089 CA   PHE    138      0.0123     14.5867     16.0900
  1100 CA   ARG    139      0.0137     14.9954     16.3800
  1111 CA   LYS    140      0.0217     17.3179     20.0000
  1120 CA   ASP    141      0.0159     15.6424     14.6400
  1128 CA   ILE    142      0.0124     14.6176     20.4800
  1136 CA   ALA    143      0.0172     16.0175     20.1200
  1141 CA   ALA    144      0.0306     19.9073     20.1300
  1146 CA   LYS    145      0.0198     16.7624     18.4700
  1155 CA   TYR    146      0.0177     16.1784     19.9100
  1167 CA   LYS    147      0.0401     22.6611     21.4700
  1176 CA   GLU    148      0.0725     32.0727     21.3600
  1185 CA   LEU    149      0.0423     23.3024     25.8000
  1193 CA   GLY    150      0.0932     38.0667     30.1000
  1197 CA   TYR    151      0.0342     20.9578     36.6800
  1209 CA   GLN    152      0.0301     19.7710     43.9600
  1218 CA   GLY    153      0.0308     19.9708     47.0700

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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.