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***  cd147  ***

elNémo ID: 2009150408247888

Job options:

ID        	=	 2009150408247888
JOBID     	=	 cd147
USERID    	=	 joakosamu
PRIVAT    	=	 0

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

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:

HEADER cd147

REMARK   4      COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006
REMARK 888
REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC)
TITLE     Displayed atoms
MODEL        1
ATOM      1  N   TYR A   1       2.260  11.672  10.000  1.00  1.48           N1+
ATOM      2  CA  TYR A   1       3.369  11.312   9.108  1.00  1.48           C  
ATOM      3  C   TYR A   1       3.586   9.799   9.208  1.00  1.48           C  
ATOM      4  O   TYR A   1       4.324   9.322  10.062  1.00  1.48           O  
ATOM      5  CB  TYR A   1       4.617  12.158   9.435  1.00  1.48           C  
ATOM      6  CG  TYR A   1       5.681  12.176   8.329  1.00  1.48           C  
ATOM      7  CD1 TYR A   1       6.745  11.250   8.345  1.00  1.48           C  
ATOM      8  CE1 TYR A   1       7.694  11.265   7.318  1.00  1.48           C  
ATOM      9  CZ  TYR A   1       7.621  12.233   6.298  1.00  1.48           C  
ATOM     10  OH  TYR A   1       8.595  12.296   5.345  1.00  1.48           O  
ATOM     11  CE2 TYR A   1       6.561  13.168   6.282  1.00  1.48           C  
ATOM     12  CD2 TYR A   1       5.585  13.135   7.302  1.00  1.48           C  
ATOM     13  HA  TYR A   1       3.099  11.552   8.080  1.00  1.48           H  
ATOM     14  HB1 TYR A   1       5.082  11.838  10.368  1.00  1.48           H  
ATOM     15  HB2 TYR A   1       4.343  13.197   9.619  1.00  1.48           H  
ATOM     16  HD1 TYR A   1       6.829  10.512   9.128  1.00  1.48           H  
ATOM     17  HE1 TYR A   1       8.501  10.548   7.351  1.00  1.48           H  
ATOM     18  HH  TYR A   1       8.567  13.090   4.834  1.00  1.48           H  
ATOM     19  HE2 TYR A   1       6.504  13.908   5.497  1.00  1.48           H  
ATOM     20  HD2 TYR A   1       4.759  13.830   7.285  1.00  1.48           H  
ATOM     21  H1  TYR A   1       2.488  11.429  10.954  1.00  0.00           H  
ATOM     22  H2  TYR A   1       2.103  12.669   9.961  1.00  0.00           H  
ATOM     23  H3  TYR A   1       1.412  11.189   9.741  1.00  0.00           H  
ATOM     24  N   LYS A   2       2.902   9.027   8.361  1.00  1.13           N  
ATOM     25  CA  LYS A   2       3.018   7.579   8.237  1.00  1.13           C  
ATOM     26  C   LYS A   2       2.929   7.246   6.742  1.00  1.13           C  
ATOM     27  O   LYS A   2       2.095   7.818   6.036  1.00  1.13           O  
ATOM     28  CB  LYS A   2       1.940   6.851   9.077  1.00  1.13           C  
ATOM     29  CG  LYS A   2       2.093   5.304   9.107  1.00  1.13           C  
ATOM     30  CD  LYS A   2       0.845   4.550   9.589  1.00  1.13           C  
ATOM     31  CE  LYS A   2       0.799   3.075   9.117  1.00  1.13           C  
ATOM     32  NZ  LYS A   2       0.378   2.942   7.711  1.00  1.13           N1+
ATOM     33  H   LYS A   2       2.362   9.442   7.616  1.00  1.13           H  
ATOM     34  HA  LYS A   2       4.002   7.274   8.592  1.00  1.13           H  
ATOM     35  HB1 LYS A   2       0.958   7.124   8.691  1.00  1.13           H  
ATOM     36  HB2 LYS A   2       1.951   7.227  10.101  1.00  1.13           H  
ATOM     37  HG1 LYS A   2       2.960   5.025   9.707  1.00  1.13           H  
ATOM     38  HG2 LYS A   2       2.315   4.950   8.101  1.00  1.13           H  
ATOM     39  HD1 LYS A   2      -0.062   5.069   9.279  1.00  1.13           H  
ATOM     40  HD2 LYS A   2       0.821   4.564  10.678  1.00  1.13           H  
ATOM     41  HE1 LYS A   2       0.065   2.534   9.715  1.00  1.13           H  
ATOM     42  HE2 LYS A   2       1.756   2.574   9.262  1.00  1.13           H  
ATOM     43  HZ1 LYS A   2       0.237   1.975   7.455  1.00  1.13           H  
ATOM     44  HZ2 LYS A   2      -0.507   3.413   7.589  1.00  1.13           H  
ATOM     45  HZ3 LYS A   2       1.030   3.367   7.068  1.00  1.13           H  
ATOM     46  N   LEU A   3       3.752   6.302   6.266  1.00  0.92           N  
ATOM     47  CA  LEU A   3       3.674   5.763   4.914  1.00  0.92           C  
ATOM     48  C   LEU A   3       2.518   4.733   4.843  1.00  0.92           C  
ATOM     49  O   LEU A   3       2.212   4.087   5.856  1.00  0.92           O  
ATOM     50  CB  LEU A   3       5.017   5.080   4.563  1.00  0.92           C  
ATOM     51  CG  LEU A   3       6.251   6.020   4.566  1.00  0.92           C  
ATOM     52  CD1 LEU A   3       7.555   5.224   4.406  1.00  0.92           C  
ATOM     53  CD2 LEU A   3       6.193   7.115   3.500  1.00  0.92           C  
ATOM     54  H   LEU A   3       4.395   5.853   6.902  1.00  0.92           H  
ATOM     55  HA  LEU A   3       3.495   6.591   4.229  1.00  0.92           H  
ATOM     56  HB1 LEU A   3       4.945   4.577   3.599  1.00  0.92           H  
ATOM     57  HB2 LEU A   3       5.181   4.272   5.276  1.00  0.92           H  
ATOM     58  HG  LEU A   3       6.311   6.511   5.537  1.00  0.92           H  
ATOM     59 1HD1 LEU A   3       8.403   5.901   4.512  1.00  0.92           H  
ATOM     60 2HD1 LEU A   3       7.667   4.461   5.177  1.00  0.92           H  
ATOM     61 3HD1 LEU A   3       7.623   4.751   3.427  1.00  0.92           H  
ATOM     62 1HD2 LEU A   3       7.073   7.758   3.527  1.00  0.92           H  
ATOM     63 2HD2 LEU A   3       6.108   6.691   2.500  1.00  0.92           H  
ATOM     64 3HD2 LEU A   3       5.335   7.775   3.626  1.00  0.92           H  
ATOM     65  N   PRO A   4       1.837   4.566   3.675  1.00  1.08           N  
ATOM     66  CA  PRO A   4       0.710   3.624   3.512  1.00  1.08           C  
ATOM     67  C   PRO A   4       0.996   2.184   3.985  1.00  1.08           C  
ATOM     68  O   PRO A   4       0.296   1.668   4.860  1.00  1.08           O  
ATOM     69  CD  PRO A   4       2.055   5.340   2.451  1.00  1.08           C  
ATOM     70  CG  PRO A   4       0.923   4.969   1.500  1.00  1.08           C  
ATOM     71  CB  PRO A   4       0.410   3.631   2.000  1.00  1.08           C  
ATOM     72  HD1 PRO A   4       3.036   5.112   2.035  1.00  1.08           H  
ATOM     73  HD2 PRO A   4       2.009   6.408   2.662  1.00  1.08           H  
ATOM     74  HG1 PRO A   4       1.279   4.926   0.470  1.00  1.08           H  
ATOM     75  HG2 PRO A   4       0.147   5.730   1.585  1.00  1.08           H  
ATOM     76  HB1 PRO A   4       0.958   2.845   1.482  1.00  1.08           H  
ATOM     77  HB2 PRO A   4      -0.647   3.497   1.771  1.00  1.08           H  
ATOM     78  HA  PRO A   4      -0.146   4.008   4.067  1.00  1.08           H  
ATOM     79  N   GLY A   5       2.065   1.583   3.464  1.00  1.10           N  
ATOM     80  CA  GLY A   5       2.426   0.176   3.683  1.00  1.10           C  
ATOM     81  C   GLY A   5       3.115  -0.406   2.442  1.00  1.10           C  
ATOM     82  O   GLY A   5       3.881  -1.363   2.538  1.00  1.10           O  
ATOM     83  H   GLY A   5       2.668   2.108   2.848  1.00  1.10           H  
ATOM     84  HA1 GLY A   5       1.554  -0.434   3.915  1.00  1.10           H  
ATOM     85  HA2 GLY A   5       3.101   0.085   4.534  1.00  1.10           H  
ATOM     86  N   HIS A   6       2.879   0.208   1.267  1.00  0.90           N  
ATOM     87  CA  HIS A   6       3.647   0.078   0.021  1.00  0.90           C  
ATOM     88  C   HIS A   6       3.336  -1.177  -0.818  1.00  0.90           C  
ATOM     89  O   HIS A   6       3.858  -1.327  -1.923  1.00  0.90           O  
ATOM     90  CB  HIS A   6       5.157   0.394   0.190  1.00  0.90           C  
ATOM     91  CG  HIS A   6       5.521   1.859   0.242  1.00  0.90           C  
ATOM     92  ND1 HIS A   6       4.850   2.811   1.033  1.00  0.90           N  
ATOM     93  CE1 HIS A   6       5.475   3.954   0.799  1.00  0.90           C  
ATOM     94  NE2 HIS A   6       6.484   3.836  -0.064  1.00  0.90           N  
ATOM     95  CD2 HIS A   6       6.534   2.500  -0.435  1.00  0.90           C  
ATOM     96  H   HIS A   6       2.158   0.914   1.296  1.00  0.90           H  
ATOM     97  HA  HIS A   6       3.240   0.878  -0.596  1.00  0.90           H  
ATOM     98  HB1 HIS A   6       5.696  -0.042  -0.651  1.00  0.90           H  
ATOM     99  HB2 HIS A   6       5.572  -0.100   1.068  1.00  0.90           H  
ATOM    100  HE1 HIS A   6       5.231   4.894   1.271  1.00  0.90           H  
ATOM    101  HE2 HIS A   6       7.122   4.570  -0.335  1.00  0.90           H  
ATOM    102  HD2 HIS A   6       7.270   2.103  -1.120  1.00  0.90           H  
ATOM    103  N   HIS A   7       2.467  -2.068  -0.298  1.00  0.93           N  
ATOM    104  CA  HIS A   7       1.985  -3.267  -0.977  1.00  0.93           C  
ATOM    105  C   HIS A   7       0.658  -2.909  -1.669  1.00  0.93           C  
ATOM    106  O   HIS A   7      -0.315  -2.512  -1.019  1.00  0.93           O  
ATOM    107  CB  HIS A   7       1.765  -4.355   0.096  1.00  0.93           C  
ATOM    108  CG  HIS A   7       1.147  -5.642  -0.390  1.00  0.93           C  
ATOM    109  ND1 HIS A   7       1.675  -6.389  -1.444  1.00  0.93           N  
ATOM    110  CE1 HIS A   7       0.847  -7.418  -1.582  1.00  0.93           C  
ATOM    111  NE2 HIS A   7      -0.137  -7.403  -0.693  1.00  0.93           N  
ATOM    112  CD2 HIS A   7       0.028  -6.278   0.091  1.00  0.93           C  
ATOM    113  H   HIS A   7       2.095  -1.886   0.624  1.00  0.93           H  
ATOM    114  HA  HIS A   7       2.718  -3.625  -1.700  1.00  0.93           H  
ATOM    115  HB1 HIS A   7       1.146  -3.951   0.897  1.00  0.93           H  
ATOM    116  HB2 HIS A   7       2.724  -4.592   0.557  1.00  0.93           H  
ATOM    117  HE1 HIS A   7       0.960  -8.179  -2.340  1.00  0.93           H  
ATOM    118  HE2 HIS A   7      -0.929  -8.030  -0.690  1.00  0.93           H  
ATOM    119  HD2 HIS A   7      -0.644  -6.014   0.894  1.00  0.93           H  
ATOM    120  N   HIS A   8       0.621  -3.014  -2.995  1.00  0.97           N  
ATOM    121  CA  HIS A   8      -0.483  -2.632  -3.876  1.00  0.97           C  
ATOM    122  C   HIS A   8      -1.376  -3.864  -4.102  1.00  0.97           C  
ATOM    123  O   HIS A   8      -1.346  -4.479  -5.172  1.00  0.97           O  
ATOM    124  CB  HIS A   8       0.111  -2.105  -5.208  1.00  0.97           C  
ATOM    125  CG  HIS A   8       0.848  -0.783  -5.121  1.00  0.97           C  
ATOM    126  ND1 HIS A   8       0.190   0.437  -4.878  1.00  0.97           N  
ATOM    127  CE1 HIS A   8       1.145   1.360  -4.898  1.00  0.97           C  
ATOM    128  NE2 HIS A   8       2.355   0.847  -5.133  1.00  0.97           N  
ATOM    129  CD2 HIS A   8       2.184  -0.517  -5.295  1.00  0.97           C  
ATOM    130  H   HIS A   8       1.444  -3.420  -3.417  1.00  0.97           H  
ATOM    131  HA  HIS A   8      -1.091  -1.854  -3.414  1.00  0.97           H  
ATOM    132  HB1 HIS A   8      -0.671  -1.963  -5.953  1.00  0.97           H  
ATOM    133  HB2 HIS A   8       0.783  -2.849  -5.635  1.00  0.97           H  
ATOM    134  HE1 HIS A   8       0.978   2.402  -4.671  1.00  0.97           H  
ATOM    135  HE2 HIS A   8       3.216   1.370  -5.200  1.00  0.97           H  
ATOM    136  HD2 HIS A   8       3.001  -1.186  -5.521  1.00  0.97           H  
ATOM    137  N   HIS A   9      -2.160  -4.246  -3.087  1.00  1.13           N  
ATOM    138  CA  HIS A   9      -2.892  -5.518  -2.992  1.00  1.13           C  
ATOM    139  C   HIS A   9      -4.201  -5.525  -3.819  1.00  1.13           C  
ATOM    140  O   HIS A   9      -5.165  -6.210  -3.467  1.00  1.13           O  
ATOM    141  CB  HIS A   9      -3.201  -5.765  -1.504  1.00  1.13           C  
ATOM    142  CG  HIS A   9      -3.655  -7.166  -1.139  1.00  1.13           C  
ATOM    143  ND1 HIS A   9      -2.851  -8.303  -1.335  1.00  1.13           N  
ATOM    144  CE1 HIS A   9      -3.547  -9.315  -0.815  1.00  1.13           C  
ATOM    145  NE2 HIS A   9      -4.717  -8.931  -0.314  1.00  1.13           N  
ATOM    146  CD2 HIS A   9      -4.813  -7.561  -0.509  1.00  1.13           C  
ATOM    147  H   HIS A   9      -2.109  -3.682  -2.250  1.00  1.13           H  
ATOM    148  HA  HIS A   9      -2.251  -6.319  -3.359  1.00  1.13           H  
ATOM    149  HB1 HIS A   9      -3.942  -5.043  -1.162  1.00  1.13           H  
ATOM    150  HB2 HIS A   9      -2.312  -5.555  -0.909  1.00  1.13           H  
ATOM    151  HE1 HIS A   9      -3.168 -10.326  -0.787  1.00  1.13           H  
ATOM    152  HE2 HIS A   9      -5.371  -9.552   0.141  1.00  1.13           H  
ATOM    153  HD2 HIS A   9      -5.643  -6.973  -0.146  1.00  1.13           H  
ATOM    154  N   TYR A  10      -4.266  -4.772  -4.929  1.00  0.93           N  
ATOM    155  CA  TYR A  10      -5.452  -4.546  -5.768  1.00  0.93           C  
ATOM    156  C   TYR A  10      -5.725  -5.763  -6.684  1.00  0.93           C  
ATOM    157  O   TYR A  10      -5.932  -5.639  -7.890  1.00  0.93           O  
ATOM    158  CB  TYR A  10      -5.225  -3.262  -6.628  1.00  0.93           C  
ATOM    159  CG  TYR A  10      -4.598  -2.071  -5.929  1.00  0.93           C  
ATOM    160  CD1 TYR A  10      -5.046  -1.619  -4.674  1.00  0.93           C  
ATOM    161  CE1 TYR A  10      -4.380  -0.560  -4.023  1.00  0.93           C  
ATOM    162  CZ  TYR A  10      -3.257   0.040  -4.623  1.00  0.93           C  
ATOM    163  OH  TYR A  10      -2.565   1.030  -3.984  1.00  0.93           O  
ATOM    164  CE2 TYR A  10      -2.848  -0.358  -5.902  1.00  0.93           C  
ATOM    165  CD2 TYR A  10      -3.510  -1.420  -6.548  1.00  0.93           C  
ATOM    166  H   TYR A  10      -3.405  -4.317  -5.197  1.00  0.93           H  
ATOM    167  HA  TYR A  10      -6.332  -4.402  -5.141  1.00  0.93           H  
ATOM    168  HB1 TYR A  10      -6.166  -2.937  -7.072  1.00  0.93           H  
ATOM    169  HB2 TYR A  10      -4.583  -3.495  -7.477  1.00  0.93           H  
ATOM    170  HD1 TYR A  10      -5.880  -2.097  -4.180  1.00  0.93           H  
ATOM    171  HE1 TYR A  10      -4.723  -0.259  -3.044  1.00  0.93           H  
ATOM    172  HH  TYR A  10      -1.689   1.046  -4.338  1.00  0.93           H  
ATOM    173  HE2 TYR A  10      -2.014   0.110  -6.404  1.00  0.93           H  
ATOM    174  HD2 TYR A  10      -3.140  -1.752  -7.507  1.00  0.93           H  
ATOM    175  N   ARG A  11      -5.667  -6.972  -6.117  1.00  1.03           N  
ATOM    176  CA  ARG A  11      -5.780  -8.275  -6.782  1.00  1.03           C  
ATOM    177  C   ARG A  11      -6.802  -9.274  -6.161  1.00  1.03           C  
ATOM    178  O   ARG A  11      -6.520 -10.475  -6.220  1.00  1.03           O  
ATOM    179  CB  ARG A  11      -4.368  -8.885  -7.024  1.00  1.03           C  
ATOM    180  CG  ARG A  11      -3.327  -8.004  -7.767  1.00  1.03           C  
ATOM    181  CD  ARG A  11      -3.464  -7.973  -9.299  1.00  1.03           C  
ATOM    182  NE  ARG A  11      -4.577  -7.131  -9.773  1.00  1.03           N  
ATOM    183  CZ  ARG A  11      -4.852  -6.866 -11.056  1.00  1.03           C  
ATOM    184  NH1 ARG A  11      -4.062  -7.316 -12.028  1.00  1.03           N  
ATOM    185  NH2 ARG A  11      -5.933  -6.167 -11.394  1.00  1.03           N1+
ATOM    186  H   ARG A  11      -5.523  -6.977  -5.118  1.00  1.03           H  
ATOM    187  HA  ARG A  11      -6.214  -8.116  -7.769  1.00  1.03           H  
ATOM    188  HB1 ARG A  11      -4.458  -9.831  -7.557  1.00  1.03           H  
ATOM    189  HB2 ARG A  11      -3.959  -9.158  -6.051  1.00  1.03           H  
ATOM    190  HG1 ARG A  11      -2.336  -8.409  -7.558  1.00  1.03           H  
ATOM    191  HG2 ARG A  11      -3.280  -6.992  -7.366  1.00  1.03           H  
ATOM    192  HD1 ARG A  11      -3.589  -8.984  -9.687  1.00  1.03           H  
ATOM    193  HD2 ARG A  11      -2.545  -7.570  -9.725  1.00  1.03           H  
ATOM    194  HE  ARG A  11      -5.088  -6.601  -9.081  1.00  1.03           H  
ATOM    195 1HH1 ARG A  11      -3.155  -7.740 -11.893  1.00  1.03           H  
ATOM    196 2HH1 ARG A  11      -4.320  -7.160 -12.992  1.00  1.03           H  
ATOM    197 1HH2 ARG A  11      -6.661  -5.902 -10.746  1.00  1.03           H  
ATOM    198 2HH2 ARG A  11      -6.128  -5.916 -12.352  1.00  1.03           H  
ATOM    199  N   PRO A  12      -7.965  -8.874  -5.585  1.00  1.61           N  
ATOM    200  CA  PRO A  12      -9.120  -9.782  -5.352  1.00  1.61           C  
ATOM    201  C   PRO A  12      -9.498 -10.613  -6.598  1.00  1.61           C  
ATOM    202  O   PRO A  12      -9.662 -10.143  -7.725  1.00  1.61           O  
ATOM    203  CD  PRO A  12      -8.293  -7.534  -5.078  1.00  1.61           C  
ATOM    204  CG  PRO A  12      -9.637  -7.641  -4.364  1.00  1.61           C  
ATOM    205  CB  PRO A  12     -10.296  -8.880  -4.935  1.00  1.61           C  
ATOM    206  HD1 PRO A  12      -8.382  -6.829  -5.905  1.00  1.61           H  
ATOM    207  HD2 PRO A  12      -7.555  -7.134  -4.382  1.00  1.61           H  
ATOM    208  HG1 PRO A  12     -10.240  -6.740  -4.473  1.00  1.61           H  
ATOM    209  HG2 PRO A  12      -9.455  -7.758  -3.296  1.00  1.61           H  
ATOM    210  HB1 PRO A  12     -10.922  -8.618  -5.788  1.00  1.61           H  
ATOM    211  HB2 PRO A  12     -10.931  -9.375  -4.200  1.00  1.61           H  
ATOM    212  HA  PRO A  12      -8.866 -10.453  -4.532  1.00  1.61           H  
ATOM    213  HXT PRO A  12      -9.561 -11.680  -6.383  1.00  0.00           H  
CONECT    5   14
CONECT   14    5
CONECT   28   35
CONECT   35   28
CONECT   29   37
CONECT   37   29
CONECT   30   39
CONECT   39   30
CONECT   31   41
CONECT   41   31
CONECT   50   56
CONECT   56   50
CONECT   52   59   60   61
CONECT   59   52
CONECT   60   52
CONECT   61   52
CONECT   53   62   63   64
CONECT   62   53
CONECT   63   53
CONECT   64   53
CONECT   69   72
CONECT   72   69
CONECT   70   74
CONECT   74   70
CONECT   71   76
CONECT   76   71
CONECT   80   84
CONECT   84   80
CONECT   90   98
CONECT   98   90
CONECT  107  115
CONECT  115  107
CONECT  124  132
CONECT  132  124
CONECT  141  149
CONECT  149  141
CONECT  158  168
CONECT  168  158
CONECT  179  188
CONECT  188  179
CONECT  180  190
CONECT  190  180
CONECT  181  192
CONECT  192  181
CONECT  184  195  196
CONECT  195  184
CONECT  196  184
CONECT  185  197  198
CONECT  197  185
CONECT  198  185
CONECT  203  206
CONECT  206  203
CONECT  204  208
CONECT  208  204
CONECT  205  210
CONECT  210  205
CONECT  201  213
CONECT  213  201
ENDMDL
END   



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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.