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***    ***

elNémo ID: 20102111465526802

Job options:

ID        	=	 20102111465526802
JOBID     	=	 
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 on
DORMSD    	=	 on

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:


TITLE     frame t= 1001.000
REMARK    THIS IS A SIMULATION BOX
CRYST1   67.707   67.707   67.707 109.47 109.47 109.47 P 1           1
MODEL        1
ATOM      3  CA  ASP     3       0.012 -19.704  -2.279  1.00  0.00            
ATOM      4  CA  SER     4       2.297 -19.789   0.816  1.00  0.00            
ATOM      5  CA  GLU     5       5.109 -18.176  -1.283  1.00  0.00            
ATOM      6  CA  PHE     6       2.731 -15.460  -2.554  1.00  0.00            
ATOM      7  CA  HID     7       1.736 -14.880   1.084  1.00  0.00            
ATOM      8  CA  ARG     8       5.449 -14.551   2.034  1.00  0.00            
ATOM      9  CA  LEU     9       5.967 -11.995  -0.746  1.00  0.00            
ATOM     10  CA  ALA    10       2.841 -10.092   0.352  1.00  0.00            
ATOM     11  CA  ASP    11       4.185 -10.145   3.935  1.00  0.00            
ATOM     12  CA  GLN    12       7.481  -8.737   2.563  1.00  0.00            
ATOM     13  CA  LEU    13       5.453  -5.969   0.815  1.00  0.00            
ATOM     14  CA  TRP    14       3.754  -5.138   4.160  1.00  0.00            
ATOM     15  CA  LEU    15       7.196  -4.889   5.847  1.00  0.00            
ATOM     16  CA  THR    16       8.579  -2.809   2.923  1.00  0.00            
ATOM     17  CA  ILE    17       5.722  -0.242   3.194  1.00  0.00            
ATOM     18  CA  GLU    18       6.343   0.117   6.954  1.00  0.00            
ATOM     19  CA  GLU    19      10.094   0.562   6.318  1.00  0.00            
ATOM     20  CA  ARG    20       9.496   3.186   3.589  1.00  0.00            
ATOM     21  CA  LEU    21       6.895   5.292   5.354  1.00  0.00            
ATOM     22  CA  ASP    22       7.198   4.610   9.192  1.00  0.00            
ATOM     23  CA  ASP    23      10.868   4.352   9.920  1.00  0.00            
ATOM     24  CA  TRP    24      10.935   7.618  11.707  1.00  0.00            
ATOM     25  CA  ASP    25       8.901   9.272  14.363  1.00  0.00            
ATOM     26  CA  GLY    26       8.887  13.104  14.926  1.00  0.00            
ATOM     27  CA  ASP    27       6.695  16.077  15.390  1.00  0.00            
ATOM     28  CA  SER    28       5.060  15.914  11.657  1.00  0.00            
ATOM     29  CA  ASP    29       5.159  12.347  10.318  1.00  0.00            
ATOM     30  CA  ILE    30       3.411   9.579   8.320  1.00  0.00            
ATOM     31  CA  ASP    31       2.352   6.500  10.340  1.00  0.00            
ATOM     32  CA  CYS    32       1.549   2.914   9.323  1.00  0.00            
ATOM     33  CA  GLU    33      -0.250   0.044  11.068  1.00  0.00            
ATOM     34  CA  ILE    34      -0.809  -3.601  10.133  1.00  0.00            
ATOM     35  CA  ASN    35      -3.959  -5.505  10.934  1.00  0.00            
ATOM     36  CA  GLY    36      -3.619  -8.855   9.366  1.00  0.00            
ATOM     37  CA  GLY    37      -4.647  -8.892   5.854  1.00  0.00            
ATOM     38  CA  VAL    38      -5.109  -5.134   6.006  1.00  0.00            
ATOM     39  CA  LEU    39      -2.569  -2.286   6.268  1.00  0.00            
ATOM     40  CA  THR    40      -3.437   1.373   7.054  1.00  0.00            
ATOM     41  CA  ILE    41      -1.313   4.467   6.328  1.00  0.00            
ATOM     42  CA  GLU    42      -2.249   7.703   8.170  1.00  0.00            
ATOM     43  CA  PHE    43      -1.166  11.304   7.485  1.00  0.00            
ATOM     44  CA  GLU    44      -0.747  14.155  10.029  1.00  0.00            
ATOM     45  CA  ASN    45      -3.816  15.955   8.565  1.00  0.00            
ATOM     46  CA  GLY    46      -5.980  13.019   9.778  1.00  0.00            
ATOM     47  CA  SER    47      -6.549  11.370   6.376  1.00  0.00            
ATOM     48  CA  GLU    48      -5.773   7.681   5.621  1.00  0.00            
ATOM     49  CA  ILE    49      -4.946   5.141   2.870  1.00  0.00            
ATOM     50  CA  ILE    50      -6.062   1.488   3.265  1.00  0.00            
ATOM     51  CA  ILE    51      -4.425  -1.534   1.555  1.00  0.00            
ATOM     52  CA  ASN    52      -6.168  -4.961   1.599  1.00  0.00            
ATOM     53  CA  ARG    53      -5.258  -8.516   0.415  1.00  0.00            
ATOM     54  CA  GLN    54      -8.301  -9.510  -0.358  1.00  0.00            
ATOM     55  CA  GLU    55      -7.829 -12.832  -1.932  1.00  0.00            
ATOM     56  CA  PRO    56      -4.734 -14.309  -1.349  1.00  0.00            
ATOM     57  CA  LEU    57      -4.717 -15.482  -4.131  1.00  0.00            
ATOM     58  CA  HID    58      -5.523 -12.146  -6.555  1.00  0.00            
ATOM     59  CA  GLN    59      -5.420  -9.210  -6.366  1.00  0.00            
ATOM     60  CA  VAL    60      -4.485  -6.635  -3.813  1.00  0.00            
ATOM     61  CA  TRP    61      -6.649  -3.480  -3.321  1.00  0.00            
ATOM     62  CA  LEU    62      -5.640   0.139  -2.508  1.00  0.00            
ATOM     63  CA  ALA    63      -8.223   2.693  -1.283  1.00  0.00            
ATOM     64  CA  THR    64      -7.837   6.470  -1.022  1.00  0.00            
ATOM     65  CA  LYS    65     -10.062   9.529  -0.487  1.00  0.00            
ATOM     66  CA  GLN    66     -10.322   9.955  -4.231  1.00  0.00            
ATOM     67  CA  GLY    67     -10.764   6.407  -5.390  1.00  0.00            
ATOM     68  CA  GLY    68      -9.371   2.989  -5.380  1.00  0.00            
ATOM     69  CA  TYR    69      -7.193   0.614  -7.438  1.00  0.00            
ATOM     70  CA  HID    70      -6.372  -3.088  -7.865  1.00  0.00            
ATOM     71  CA  PHE    71      -2.783  -4.341  -8.342  1.00  0.00            
ATOM     72  CA  ASP    72      -0.919  -7.656  -8.643  1.00  0.00            
ATOM     73  CA  LEU    73       2.570  -9.184  -8.988  1.00  0.00            
ATOM     74  CA  LYS    74       3.402  -9.428 -12.649  1.00  0.00            
ATOM     75  CA  GLY    75       6.739 -10.825 -12.974  1.00  0.00            
ATOM     76  CA  ASP    76       9.045  -9.242 -10.586  1.00  0.00            
ATOM     77  CA  GLU    77       7.086  -6.152  -9.638  1.00  0.00            
ATOM     78  CA  TRP    78       3.695  -5.100  -8.230  1.00  0.00            
ATOM     79  CA  ILE    79       1.787  -3.453 -11.138  1.00  0.00            
ATOM     80  CA  CYS    80      -1.733  -2.052 -11.679  1.00  0.00            
ATOM     81  CA  ASP    81      -4.435  -4.468 -13.049  1.00  0.00            
ATOM     82  CA  ARG    82      -5.338  -2.375 -16.227  1.00  0.00            
ATOM     83  CA  SER    83      -2.292   0.090 -16.418  1.00  0.00            
ATOM     84  CA  GLY    84       1.442  -0.275 -16.649  1.00  0.00            
ATOM     85  CA  GLU    85       2.021   1.752 -13.528  1.00  0.00            
ATOM     86  CA  THR    86       3.754   0.231 -10.512  1.00  0.00            
ATOM     87  CA  PHE    87       2.140   0.097  -7.049  1.00  0.00            
ATOM     88  CA  TRP    88       4.720   2.633  -5.803  1.00  0.00            
ATOM     89  CA  ASP    89       3.707   5.114  -8.539  1.00  0.00            
ATOM     90  CA  LEU    90       0.002   4.707  -7.645  1.00  0.00            
ATOM     91  CA  LEU    91       0.807   5.128  -3.935  1.00  0.00            
ATOM     92  CA  GLU    92       2.881   8.266  -4.722  1.00  0.00            
ATOM     93  CA  GLN    93      -0.081   9.733  -6.643  1.00  0.00            
ATOM     94  CA  ALA    94      -2.411   8.922  -3.704  1.00  0.00            
ATOM     95  CA  ALA    95       0.025  10.419  -1.126  1.00  0.00            
ATOM     96  CA  THR    96       0.409  13.529  -3.340  1.00  0.00            
ATOM     97  CA  GLN    97      -3.404  13.984  -3.456  1.00  0.00            
ATOM     98  CA  GLN    98      -4.008  13.158   0.278  1.00  0.00            
ATOM     99  CA  ALA    99      -0.750  14.893   1.938  1.00  0.00            
ATOM    100  CA  GLY   100       1.866  16.507  -0.851  1.00  0.00            
TER
ENDMDL


A second structure was input as follows:


TITLE     frame t= 89977.000
REMARK    THIS IS A SIMULATION BOX
CRYST1   67.707   67.707   67.707 109.47 109.47 109.47 P 1           1
MODEL        1
ATOM      3  CA  ASP     3      -1.289 -19.773  -1.691  1.00  0.00            
ATOM      4  CA  SER     4       1.087 -20.171   1.170  1.00  0.00            
ATOM      5  CA  GLU     5       3.919 -18.764  -0.855  1.00  0.00            
ATOM      6  CA  PHE     6       1.733 -15.943  -1.914  1.00  0.00            
ATOM      7  CA  HID     7       0.997 -15.343   1.715  1.00  0.00            
ATOM      8  CA  ARG     8       4.755 -15.157   2.399  1.00  0.00            
ATOM      9  CA  LEU     9       5.285 -12.717  -0.428  1.00  0.00            
ATOM     10  CA  ALA    10       2.334 -10.621   0.696  1.00  0.00            
ATOM     11  CA  ASP    11       3.737 -10.602   4.218  1.00  0.00            
ATOM     12  CA  GLN    12       7.056  -9.372   2.743  1.00  0.00            
ATOM     13  CA  LEU    13       5.066  -6.584   1.017  1.00  0.00            
ATOM     14  CA  TRP    14       3.560  -5.598   4.402  1.00  0.00            
ATOM     15  CA  LEU    15       7.075  -5.497   5.939  1.00  0.00            
ATOM     16  CA  THR    16       8.449  -3.495   2.974  1.00  0.00            
ATOM     17  CA  ILE    17       5.650  -0.878   3.242  1.00  0.00            
ATOM     18  CA  GLU    18       6.511  -0.407   6.934  1.00  0.00            
ATOM     19  CA  GLU    19      10.180   0.086   5.988  1.00  0.00            
ATOM     20  CA  ARG    20       9.311   2.673   3.333  1.00  0.00            
ATOM     21  CA  LEU    21       7.300   4.742   5.745  1.00  0.00            
ATOM     22  CA  ASP    22      10.105   5.154   7.954  1.00  0.00            
ATOM     23  CA  ASP    23      11.676   6.935   5.433  1.00  0.00            
ATOM     24  CA  TRP    24       8.983   9.314   5.387  1.00  0.00            
ATOM     25  CA  ASP    25       9.316  12.076   6.599  1.00  0.00            
ATOM     26  CA  GLY    26       7.439  14.545   6.760  1.00  0.00            
ATOM     27  CA  ASP    27       5.851  17.212   8.381  1.00  0.00            
ATOM     28  CA  SER    28       3.323  15.405   9.338  1.00  0.00            
ATOM     29  CA  ASP    29       3.494  12.371  11.102  1.00  0.00            
ATOM     30  CA  ILE    30       2.577   9.069   9.526  1.00  0.00            
ATOM     31  CA  ASP    31       1.580   5.906  11.412  1.00  0.00            
ATOM     32  CA  CYS    32       0.977   2.351  10.190  1.00  0.00            
ATOM     33  CA  GLU    33      -1.147  -0.490  11.588  1.00  0.00            
ATOM     34  CA  ILE    34      -1.441  -4.092  10.385  1.00  0.00            
ATOM     35  CA  ASN    35      -4.452  -6.245  10.955  1.00  0.00            
ATOM     36  CA  GLY    36      -4.245  -9.370   9.211  1.00  0.00            
ATOM     37  CA  GLY    37      -5.243  -9.126   5.704  1.00  0.00            
ATOM     38  CA  VAL    38      -5.460  -5.367   5.921  1.00  0.00            
ATOM     39  CA  LEU    39      -2.829  -2.639   6.410  1.00  0.00            
ATOM     40  CA  THR    40      -3.763   0.979   7.312  1.00  0.00            
ATOM     41  CA  ILE    41      -1.616   4.130   7.029  1.00  0.00            
ATOM     42  CA  GLU    42      -2.807   7.171   9.034  1.00  0.00            
ATOM     43  CA  PHE    43      -1.832  10.840   8.641  1.00  0.00            
ATOM     44  CA  GLU    44      -1.884  13.524  11.338  1.00  0.00            
ATOM     45  CA  ASN    45      -4.448  15.559   9.454  1.00  0.00            
ATOM     46  CA  GLY    46      -6.922  12.738  10.058  1.00  0.00            
ATOM     47  CA  SER    47      -6.777  11.031   6.681  1.00  0.00            
ATOM     48  CA  GLU    48      -5.918   7.394   5.923  1.00  0.00            
ATOM     49  CA  ILE    49      -4.827   4.953   3.185  1.00  0.00            
ATOM     50  CA  ILE    50      -6.047   1.318   3.342  1.00  0.00            
ATOM     51  CA  ILE    51      -4.328  -1.651   1.621  1.00  0.00            
ATOM     52  CA  ASN    52      -6.212  -4.985   1.476  1.00  0.00            
ATOM     53  CA  ARG    53      -5.399  -8.508   0.180  1.00  0.00            
ATOM     54  CA  GLN    54      -8.840  -9.626  -0.448  1.00  0.00            
ATOM     55  CA  GLU    55      -8.398 -12.856  -1.988  1.00  0.00            
ATOM     56  CA  PRO    56      -5.911 -15.503  -1.561  1.00  0.00            
ATOM     57  CA  LEU    57      -4.210 -14.786  -4.820  1.00  0.00            
ATOM     58  CA  HID    58      -3.130 -12.359  -6.735  1.00  0.00            
ATOM     59  CA  GLN    59      -5.460  -9.465  -5.975  1.00  0.00            
ATOM     60  CA  VAL    60      -4.285  -6.743  -3.759  1.00  0.00            
ATOM     61  CA  TRP    61      -6.144  -3.422  -3.524  1.00  0.00            
ATOM     62  CA  LEU    62      -5.309   0.152  -2.413  1.00  0.00            
ATOM     63  CA  ALA    63      -7.998   2.621  -1.257  1.00  0.00            
ATOM     64  CA  THR    64      -7.788   6.350  -0.652  1.00  0.00            
ATOM     65  CA  LYS    65     -10.025   9.419  -0.577  1.00  0.00            
ATOM     66  CA  GLN    66      -9.210  10.026  -4.109  1.00  0.00            
ATOM     67  CA  GLY    67      -9.942   6.596  -5.411  1.00  0.00            
ATOM     68  CA  GLY    68      -8.999   3.001  -5.323  1.00  0.00            
ATOM     69  CA  TYR    69      -6.765   0.747  -7.395  1.00  0.00            
ATOM     70  CA  HID    70      -5.860  -2.925  -7.962  1.00  0.00            
ATOM     71  CA  PHE    71      -2.225  -4.045  -8.294  1.00  0.00            
ATOM     72  CA  ASP    72      -0.431  -7.356  -8.851  1.00  0.00            
ATOM     73  CA  LEU    73       3.036  -8.960  -9.030  1.00  0.00            
ATOM     74  CA  LYS    74       3.837  -9.073 -12.711  1.00  0.00            
ATOM     75  CA  GLY    75       7.247 -10.355 -12.966  1.00  0.00            
ATOM     76  CA  ASP    76       9.577  -8.981 -10.471  1.00  0.00            
ATOM     77  CA  GLU    77       7.585  -5.969  -9.352  1.00  0.00            
ATOM     78  CA  TRP    78       4.121  -4.936  -8.116  1.00  0.00            
ATOM     79  CA  ILE    79       2.327  -3.107 -10.984  1.00  0.00            
ATOM     80  CA  CYS    80      -1.047  -1.332 -11.202  1.00  0.00            
ATOM     81  CA  ASP    81      -3.638  -3.000 -13.345  1.00  0.00            
ATOM     82  CA  ARG    82      -4.966  -0.062 -15.189  1.00  0.00            
ATOM     83  CA  SER    83      -1.942   2.014 -15.818  1.00  0.00            
ATOM     84  CA  GLY    84       1.179  -0.018 -15.845  1.00  0.00            
ATOM     85  CA  GLU    85       2.751   2.089 -13.128  1.00  0.00            
ATOM     86  CA  THR    86       4.570   0.547 -10.179  1.00  0.00            
ATOM     87  CA  PHE    87       2.739   0.279  -6.839  1.00  0.00            
ATOM     88  CA  TRP    88       5.484   2.311  -5.127  1.00  0.00            
ATOM     89  CA  ASP    89       4.903   5.287  -7.456  1.00  0.00            
ATOM     90  CA  LEU    90       1.125   5.170  -6.883  1.00  0.00            
ATOM     91  CA  LEU    91       1.623   4.882  -3.107  1.00  0.00            
ATOM     92  CA  GLU    92       3.934   7.919  -3.167  1.00  0.00            
ATOM     93  CA  GLN    93       1.339   9.911  -5.131  1.00  0.00            
ATOM     94  CA  ALA    94      -1.446   8.854  -2.750  1.00  0.00            
ATOM     95  CA  ALA    95       0.663   9.773   0.287  1.00  0.00            
ATOM     96  CA  THR    96       1.580  13.125  -1.306  1.00  0.00            
ATOM     97  CA  GLN    97      -2.111  13.919  -1.794  1.00  0.00            
ATOM     98  CA  GLN    98      -2.980  13.040   1.788  1.00  0.00            
ATOM     99  CA  ALA    99      -0.212  14.963   3.332  1.00  0.00            
ATOM    100  CA  GLY   100      -0.789  17.805   2.389  1.00  0.00            
TER
ENDMDL



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.