CNRS Nantes University US2B US2B
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.


***    ***

elNémo ID: 2404250203292372757

Job options:

ID        	=	 2404250203292372757
JOBID     	=	 
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 10
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 -1
CUTOFF    	=	 10
CAONLY    	=	 0


Input data for this run:


CRYST1    0.000    0.000    0.000  90.00  90.00  90.00 P 1           1
ATOM      1  CA  SER A  96      11.976 -18.031  33.229  1.00 66.05           C
ATOM      2  CA  VAL A  97       8.863 -15.832  33.506  1.00 55.21           C
ATOM      3  CA  PRO A  98       7.985 -13.075  36.042  1.00 44.97           C
ATOM      4  CA  SER A  99       4.907 -13.750  38.152  1.00 50.24           C
ATOM      5  CA  GLN A 100       1.700 -12.105  36.991  1.00 51.34           C
ATOM      6  CA  LYS A 101      -0.358 -13.151  40.031  1.00 49.26           C
ATOM      7  CA  THR A 102      -2.591 -10.465  41.581  1.00 48.00           C
ATOM      8  CA  TYR A 103      -1.576  -9.659  45.148  1.00 48.77           C
ATOM      9  CA  GLN A 104      -3.146  -6.782  47.032  1.00 44.39           C
ATOM     10  CA  GLY A 105      -0.702  -7.221  49.891  1.00 53.92           C
ATOM     11  CA  SER A 106      -1.021  -5.698  53.327  1.00 57.39           C
ATOM     12  CA  TYR A 107      -1.545  -2.171  51.985  1.00 52.54           C
ATOM     13  CA  GLY A 108      -4.547  -3.215  49.893  1.00 44.52           C
ATOM     14  CA  PHE A 109      -2.882  -2.359  46.588  1.00 40.88           C
ATOM     15  CA  ARG A 110      -5.194  -1.880  43.561  1.00 48.34           C
ATOM     16  CA  LEU A 111      -4.975  -0.214  40.119  1.00 31.35           C
ATOM     17  CA  GLY A 112      -7.445   2.346  38.754  1.00 39.06           C
ATOM     18  CA  PHE A 113      -7.916   4.011  35.370  1.00 27.46           C
ATOM     19  CA  LEU A 114      -9.654   7.074  33.964  1.00 28.08           C
ATOM     20  CA  HIS A 115     -13.174   6.439  32.556  1.00 28.34           C
ATOM     21  CA  SER A 116     -12.339   8.007  29.209  1.00 25.46           C
ATOM     22  CA  GLY A 117     -14.814   6.393  26.821  1.00 33.96           C
ATOM     23  CA  THR A 118     -14.271   5.446  23.157  1.00 32.89           C
ATOM     24  CA  ALA A 119     -14.601   8.667  21.115  1.00 35.97           C
ATOM     25  CA  LYS A 120     -12.183   8.880  18.171  1.00 47.98           C
ATOM     26  CA  SER A 121     -10.173  11.630  19.851  1.00 47.85           C
ATOM     27  CA  VAL A 122      -9.209   9.634  22.961  1.00 40.05           C
ATOM     28  CA  THR A 123      -5.483   9.054  23.335  1.00 37.34           C
ATOM     29  CA  CYS A 124      -5.773   6.442  26.080  1.00 27.88           C
ATOM     30  CA  THR A 125      -8.766   4.319  27.140  1.00 32.06           C
ATOM     31  CA  TYR A 126      -9.242   1.383  29.509  1.00 27.02           C
ATOM     32  CA  SER A 127     -11.692  -1.528  29.155  1.00 30.88           C
ATOM     33  CA  PRO A 128     -13.087  -2.900  32.455  1.00 32.11           C
ATOM     34  CA  ALA A 129     -14.552  -5.909  30.638  1.00 29.79           C
ATOM     35  CA  LEU A 130     -11.248  -6.890  29.039  1.00 35.08           C
ATOM     36  CA  ASN A 131      -8.944  -5.481  31.750  1.00 33.24           C
ATOM     37  CA  LYS A 132      -7.177  -3.940  28.802  1.00 26.05           C
ATOM     38  CA AMET A 133      -5.585  -0.592  28.131  0.48 28.51           C
ATOM     39  CA BMET A 133      -5.569  -0.597  28.140  0.52 28.48           C
ATOM     40  CA  PHE A 134      -5.719   0.878  24.631  1.00 27.16           C
ATOM     41  CA  CYS A 135      -3.282   3.749  24.078  1.00 27.65           C
ATOM     42  CA  GLN A 136      -1.456   5.708  21.401  1.00 30.19           C
ATOM     43  CA  LEU A 137       2.306   5.707  20.819  1.00 32.79           C
ATOM     44  CA  ALA A 138       4.357   7.769  23.272  1.00 34.85           C
ATOM     45  CA  LYS A 139       1.244   9.413  24.740  1.00 34.20           C
ATOM     46  CA  THR A 140       0.412   9.852  28.402  1.00 29.24           C
ATOM     47  CA ACYS A 141      -1.107   6.716  29.892  0.56 32.01           C
ATOM     48  CA BCYS A 141      -1.096   6.709  29.876  0.44 32.19           C
ATOM     49  CA  PRO A 142      -2.364   7.490  33.411  1.00 33.60           C
ATOM     50  CA  VAL A 143      -2.341   4.478  35.732  1.00 31.71           C
ATOM     51  CA  GLN A 144      -3.675   5.048  39.239  1.00 32.39           C
ATOM     52  CA  LEU A 145      -2.288   3.457  42.406  1.00 36.94           C
ATOM     53  CA  TRP A 146      -4.982   2.869  45.037  1.00 43.57           C
ATOM     54  CA  VAL A 147      -4.109   1.756  48.573  1.00 48.76           C
ATOM     55  CA  ASP A 148      -6.118   1.136  51.769  1.00 57.75           C
ATOM     56  CA  SER A 149      -3.198   2.384  53.870  1.00 57.00           C
ATOM     57  CA  THR A 150      -0.036   4.313  53.019  1.00 56.43           C
ATOM     58  CA  PRO A 151       3.077   2.254  52.192  1.00 56.76           C
ATOM     59  CA  PRO A 152       6.107   3.496  54.094  1.00 59.71           C
ATOM     60  CA  PRO A 153       8.675   5.985  52.703  1.00 62.08           C
ATOM     61  CA  GLY A 154      11.175   4.375  50.350  1.00 50.14           C
ATOM     62  CA  THR A 155       8.462   2.288  48.728  1.00 41.93           C
ATOM     63  CA  ARG A 156       9.000   1.890  44.989  1.00 41.18           C
ATOM     64  CA  VAL A 157       6.717   1.232  42.018  1.00 31.42           C
ATOM     65  CA  ARG A 158       7.970  -0.939  39.128  1.00 23.52           C
ATOM     66  CA  ALA A 159       6.475  -1.601  35.676  1.00 31.01           C
ATOM     67  CA  MET A 160       7.416  -4.462  33.340  1.00 29.94           C
ATOM     68  CA  ALA A 161       5.903  -5.881  30.115  1.00 28.67           C
ATOM     69  CA  ILE A 162       5.661  -9.559  29.224  1.00 31.52           C
ATOM     70  CA  TYR A 163       3.971 -11.396  26.350  1.00 35.27           C
ATOM     71  CA  LYS A 164       0.454 -12.578  27.246  1.00 34.69           C
ATOM     72  CA  GLN A 165       0.681 -15.793  25.213  1.00 49.53           C
ATOM     73  CA  SER A 166       2.486 -18.690  26.902  1.00 60.82           C
ATOM     74  CA  GLN A 167       4.448 -19.718  23.798  1.00 63.41           C
ATOM     75  CA  HIS A 168       5.967 -16.219  23.762  1.00 51.19           C
ATOM     76  CA  MET A 169       6.279 -15.540  27.488  1.00 48.57           C
ATOM     77  CA  THR A 170       9.977 -16.365  27.781  1.00 53.50           C
ATOM     78  CA  GLU A 171      10.801 -13.781  25.099  1.00 51.23           C
ATOM     79  CA  VAL A 172      11.873 -10.353  26.370  1.00 39.26           C
ATOM     80  CA  VAL A 173       9.541  -7.519  25.342  1.00 33.39           C
ATOM     81  CA  ARG A 174      11.613  -4.804  23.696  1.00 41.32           C
ATOM     82  CA  ARG A 175      11.223  -2.033  21.129  1.00 37.12           C
ATOM     83  CA  CYS A 176      11.573  -2.905  17.453  1.00 39.21           C
ATOM     84  CA  PRO A 177      14.829  -1.688  15.830  1.00 44.16           C
ATOM     85  CA  HIS A 178      13.071   1.180  14.040  1.00 51.27           C
ATOM     86  CA  HIS A 179      11.698   2.778  17.192  1.00 37.59           C
ATOM     87  CA  GLU A 180      14.840   1.808  19.098  1.00 49.77           C
ATOM     88  CA  ARG A 181      16.871   3.708  16.482  1.00 71.95           C
ATOM     89  CA  CYS A 182      14.376   6.573  16.373  1.00 75.83           C
ATOM     90  CA  SER A 183      15.326  10.031  17.601  1.00 82.23           C
ATOM     91  CA  ASP A 184      12.691  10.025  20.370  1.00 56.00           C
ATOM     92  CA  SER A 185      14.966   9.874  23.425  1.00 56.23           C
ATOM     93  CA  ASP A 186      14.121  11.750  26.635  1.00 49.98           C
ATOM     94  CA  GLY A 187      17.716  11.235  27.773  1.00 48.73           C
ATOM     95  CA  LEU A 188      16.617   9.004  30.652  1.00 40.65           C
ATOM     96  CA  ALA A 189      15.100   5.829  29.144  1.00 30.17           C
ATOM     97  CA  PRO A 190      17.322   3.271  27.384  1.00 38.15           C
ATOM     98  CA  PRO A 191      16.498   3.127  23.659  1.00 41.02           C
ATOM     99  CA  GLN A 192      15.412  -0.558  23.836  1.00 38.73           C
ATOM    100  CA  HIS A 193      12.794  -0.100  26.582  1.00 31.42           C
ATOM    101  CA  LEU A 194       9.114  -0.268  25.676  1.00 23.46           C
ATOM    102  CA  ILE A 195       7.788   1.360  28.861  1.00 28.71           C
ATOM    103  CA  ARG A 196       8.823   4.860  29.974  1.00 28.35           C
ATOM    104  CA  VAL A 197       7.674   7.087  32.782  1.00 32.08           C
ATOM    105  CA  GLU A 198       6.880  10.670  31.835  1.00 37.34           C
ATOM    106  CA  GLY A 199       7.381  13.684  34.102  1.00 43.98           C
ATOM    107  CA  ASN A 200       9.413  12.179  36.911  1.00 43.63           C
ATOM    108  CA  LEU A 201      13.121  12.935  37.232  1.00 51.74           C
ATOM    109  CA  ARG A 202      13.570  10.193  39.825  1.00 39.87           C
ATOM    110  CA  VAL A 203      12.693   7.486  37.311  1.00 29.57           C
ATOM    111  CA  GLU A 204      15.126   4.548  37.159  1.00 31.20           C
ATOM    112  CA  TYR A 205      15.530   1.921  34.417  1.00 30.34           C
ATOM    113  CA  LEU A 206      16.785  -1.643  34.816  1.00 33.63           C
ATOM    114  CA  ASP A 207      18.138  -4.234  32.404  1.00 29.56           C
ATOM    115  CA  ASP A 208      18.072  -7.347  34.580  1.00 41.14           C
ATOM    116  CA  ARG A 209      21.574  -8.882  34.510  1.00 48.20           C
ATOM    117  CA  ASN A 210      20.115 -12.390  34.778  1.00 49.04           C
ATOM    118  CA  THR A 211      16.733 -12.483  33.019  1.00 41.37           C
ATOM    119  CA  PHE A 212      17.529  -9.611  30.603  1.00 36.73           C
ATOM    120  CA  ARG A 213      14.064  -8.138  31.156  1.00 35.14           C
ATOM    121  CA  HIS A 214      13.508  -4.387  31.112  1.00 29.35           C
ATOM    122  CA  SER A 215      11.643  -2.489  33.795  1.00 30.90           C
ATOM    123  CA  VAL A 216      11.035   1.062  34.973  1.00 25.39           C
ATOM    124  CA  VAL A 217      10.725   2.101  38.621  1.00 31.99           C
ATOM    125  CA  VAL A 218       9.846   5.278  40.506  1.00 28.89           C
ATOM    126  CA  PRO A 219       9.494   6.157  44.190  1.00 36.92           C
ATOM    127  CA  TYR A 220       5.959   5.746  45.547  1.00 37.68           C
ATOM    128  CA  GLU A 221       4.374   9.074  46.459  1.00 50.55           C
ATOM    129  CA  PRO A 222       1.308   9.184  48.707  1.00 47.38           C
ATOM    130  CA  PRO A 223      -1.725  10.885  47.175  1.00 55.47           C
ATOM    131  CA  GLU A 224      -2.538  14.456  48.121  1.00 78.98           C
ATOM    132  CA  VAL A 225      -4.659  14.730  51.266  1.00 77.78           C
ATOM    133  CA  GLY A 226      -7.556  15.803  49.041  1.00 89.21           C
ATOM    134  CA  SER A 227      -6.905  12.914  46.662  1.00 73.89           C
ATOM    135  CA  ASP A 228      -7.668   9.185  46.669  1.00 64.08           C
ATOM    136  CA  CYS A 229      -4.798   7.893  44.543  1.00 50.98           C
ATOM    137  CA  THR A 230      -1.363   8.369  43.040  1.00 41.01           C
ATOM    138  CA  THR A 231      -1.153   8.703  39.261  1.00 30.78           C
ATOM    139  CA  ILE A 232       1.847   7.545  37.241  1.00 32.97           C
ATOM    140  CA  HIS A 233       2.134   8.712  33.618  1.00 32.48           C
ATOM    141  CA  TYR A 234       3.470   5.863  31.474  1.00 27.88           C
ATOM    142  CA  ASN A 235       4.468   6.030  27.795  1.00 31.29           C
ATOM    143  CA  TYR A 236       4.555   2.973  25.530  1.00 27.74           C
ATOM    144  CA  MET A 237       7.181   3.562  22.854  1.00 34.34           C
ATOM    145  CA  CYS A 238       6.311   0.910  20.241  1.00 36.28           C
ATOM    146  CA  ASN A 239       3.055  -0.150  18.531  1.00  0.00           C
ATOM    147  CA  SER A 240       1.591  -3.592  19.165  1.00 33.77           C
ATOM    148  CA  SER A 241       1.757  -4.112  15.403  1.00 34.71           C
ATOM    149  CA  CYS A 242       5.490  -3.257  14.985  1.00 37.95           C
ATOM    150  CA  MET A 243       7.172  -5.847  12.786  1.00 49.84           C
ATOM    151  CA  GLY A 244      10.376  -7.077  14.370  1.00 49.45           C
ATOM    152  CA  GLY A 245       9.009  -5.869  17.699  1.00 41.12           C
ATOM    153  CA  MET A 246       5.859  -7.063  19.494  1.00 38.92           C
ATOM    154  CA  ASN A 247       4.600  -7.996  16.036  1.00 43.41           C
ATOM    155  CA  ARG A 248       0.873  -8.197  16.855  1.00 47.24           C
ATOM    156  CA  ARG A 249       1.514 -10.292  19.986  1.00 45.29           C
ATOM    157  CA  PRO A 250      -0.485  -9.141  23.039  1.00 36.51           C
ATOM    158  CA  ILE A 251       1.364  -8.049  26.171  1.00 35.22           C
ATOM    159  CA  LEU A 252       0.569  -7.494  29.853  1.00 30.73           C
ATOM    160  CA  THR A 253       1.973  -4.702  31.974  1.00 28.86           C
ATOM    161  CA  ILE A 254       2.776  -5.852  35.515  1.00 28.44           C
ATOM    162  CA  ILE A 255       2.872  -3.200  38.255  1.00 34.00           C
ATOM    163  CA  THR A 256       4.649  -4.244  41.433  1.00 37.96           C
ATOM    164  CA  LEU A 257       4.892  -2.443  44.746  1.00 41.92           C
ATOM    165  CA  GLU A 258       8.229  -3.039  46.512  1.00 38.49           C
ATOM    166  CA  ASP A 259      10.024  -1.866  49.669  1.00 48.04           C
ATOM    167  CA  SER A 260      13.349   0.014  49.560  1.00 54.02           C
ATOM    168  CA  SER A 261      15.199  -3.334  49.633  1.00 52.59           C
ATOM    169  CA  GLY A 262      13.192  -4.656  46.671  1.00 48.79           C
ATOM    170  CA  ASN A 263      10.865  -7.006  48.580  1.00 50.96           C
ATOM    171  CA  LEU A 264       7.430  -7.510  47.012  1.00 50.85           C
ATOM    172  CA  LEU A 265       4.625  -5.532  48.680  1.00 46.08           C
ATOM    173  CA  GLY A 266       1.903  -5.840  46.051  1.00 40.51           C
ATOM    174  CA  ARG A 267       1.212  -6.756  42.421  1.00 40.33           C
ATOM    175  CA  ASN A 268      -1.383  -6.063  39.733  1.00 39.35           C
ATOM    176  CA  SER A 269      -1.483  -6.277  35.940  1.00 30.55           C
ATOM    177  CA  PHE A 270      -3.458  -5.222  32.871  1.00 38.86           C
ATOM    178  CA  GLU A 271      -3.348  -6.103  29.192  1.00 30.62           C
ATOM    179  CA  VAL A 272      -2.112  -3.365  26.849  1.00 29.14           C
ATOM    180  CA  ARG A 273      -2.584  -2.633  23.184  1.00 26.34           C
ATOM    181  CA  VAL A 274      -0.593   0.230  21.658  1.00 29.73           C
ATOM    182  CA  CYS A 275      -2.467   1.448  18.587  1.00 34.87           C
ATOM    183  CA  ALA A 276      -3.341   4.450  16.448  1.00 34.81           C
ATOM    184  CA ACYS A 277      -7.048   4.653  17.344  0.47 35.06           C
ATOM    185  CA BCYS A 277      -7.034   4.674  17.369  0.53 34.89           C
ATOM    186  CA  PRO A 278      -7.589   3.425  20.932  1.00 35.84           C
ATOM    187  CA  GLY A 279     -11.286   4.387  20.997  1.00 34.92           C
ATOM    188  CA  ARG A 280     -12.270   2.526  17.845  1.00 40.02           C
ATOM    189  CA  ASP A 281     -10.110  -0.487  18.703  1.00 33.93           C
ATOM    190  CA  ARG A 282     -11.606  -0.685  22.185  1.00 28.97           C
ATOM    191  CA  ARG A 283     -15.154  -0.349  20.889  1.00 33.10           C
ATOM    192  CA  THR A 284     -14.421  -2.972  18.214  1.00 44.51           C
ATOM    193  CA  GLU A 285     -12.947  -5.488  20.666  1.00 44.49           C
ATOM    194  CA  GLU A 286     -15.905  -5.057  23.050  1.00 36.01           C
ATOM    195  CA  GLU A 287     -18.574  -5.622  20.390  1.00 58.90           C
ATOM    196  CA  ASN A 288     -17.327  -9.213  20.326  1.00 74.67           C
ATOM    197  CA  LEU A 289     -18.707  -9.621  23.861  1.00 57.60           C
ATOM    198  ZN  ZN  A 401       8.222  -0.219  17.046  1.00 36.37          ZN
END



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: April 25th, 2023.