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

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


***    ***

elNémo ID: 21061619525620511

Job options:

ID        	=	 21061619525620511
JOBID     	=	 
USERID    	=	 unknown
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:


MODEL        1
ATOM      1  C   ASP A   1      29.110  29.200  31.870  1.00  0.00           C
ATOM      2  CB  ASP A   1      29.770  26.870  32.800  1.00  0.00           C
ATOM      3  CA  ASP A   1      29.030  28.200  33.050  1.00  0.00           C
ATOM      4  CG  ASP A   1      31.270  26.950  33.120  1.00  0.00           C
ATOM      5  O   ASP A   1      28.190  30.000  31.710  1.00  0.00           O
ATOM      6  N   ASP A   1      27.640  27.830  33.410  1.00  0.00           N
ATOM      7  OD1 ASP A   1      32.030  27.370  32.230  1.00  0.00           O
ATOM      8  OD2 ASP A   1      31.620  26.720  34.300  1.00  0.00           O
ATOM      9  C   TYR A   2      29.190  30.110  28.920  1.00  0.00           C
ATOM     10  CD2 TYR A   2      33.470  31.170  29.860  1.00  0.00           C
ATOM     11  OH  TYR A   2      36.010  30.630  32.320  1.00  0.00           O
ATOM     12  CB  TYR A   2      31.620  29.620  29.060  1.00  0.00           C
ATOM     13  CA  TYR A   2      30.390  30.030  29.890  1.00  0.00           C
ATOM     14  CG  TYR A   2      32.960  29.880  29.750  1.00  0.00           C
ATOM     15  O   TYR A   2      28.780  31.200  28.530  1.00  0.00           O
ATOM     16  N   TYR A   2      30.170  29.140  31.060  1.00  0.00           N
ATOM     17  CZ  TYR A   2      35.280  30.360  31.210  1.00  0.00           C
ATOM     18  CE2 TYR A   2      34.630  31.410  30.570  1.00  0.00           C
ATOM     19  CE1 TYR A   2      34.820  29.060  31.040  1.00  0.00           C
ATOM     20  CD1 TYR A   2      33.650  28.830  30.320  1.00  0.00           C
ATOM     21  C   HIS A   3      26.120  29.510  28.350  1.00  0.00           C
ATOM     22  CE1 HIS A   3      29.940  25.260  28.620  1.00  0.00           C
ATOM     23  CB  HIS A   3      27.000  27.250  27.860  1.00  0.00           C
ATOM     24  CA  HIS A   3      27.360  28.750  27.850  1.00  0.00           C
ATOM     25  CG  HIS A   3      28.210  26.310  27.890  1.00  0.00           C
ATOM     26  O   HIS A   3      25.220  29.810  27.570  1.00  0.00           O
ATOM     27  N   HIS A   3      28.570  28.960  28.690  1.00  0.00           N
ATOM     28  CD2 HIS A   3      28.720  25.610  26.880  1.00  0.00           C
ATOM     29  ND1 HIS A   3      28.960  26.090  28.970  1.00  0.00           N
ATOM     30  NE2 HIS A   3      29.790  24.970  27.330  1.00  0.00           N
ATOM     31  C   HIS A   4      25.200  31.850  30.710  1.00  0.00           C
ATOM     32  CE1 HIS A   4      23.430  26.230  31.560  1.00  0.00           C
ATOM     33  CB  HIS A   4      24.780  29.610  31.730  1.00  0.00           C
ATOM     34  CA  HIS A   4      24.950  30.360  30.400  1.00  0.00           C
ATOM     35  CG  HIS A   4      24.480  28.110  31.590  1.00  0.00           C
ATOM     36  O   HIS A   4      24.320  32.690  30.520  1.00  0.00           O
ATOM     37  N   HIS A   4      26.090  29.760  29.660  1.00  0.00           N
ATOM     38  CD2 HIS A   4      25.350  27.150  31.260  1.00  0.00           C
ATOM     39  ND1 HIS A   4      23.300  27.530  31.790  1.00  0.00           N
ATOM     40  NE2 HIS A   4      24.690  25.990  31.230  1.00  0.00           N
ATOM     41  CA  GLY A   5      26.830  33.510  31.540  1.00  0.00           C
ATOM     42  C   GLY A   5      28.270  33.760  31.090  1.00  0.00           C
ATOM     43  O   GLY A   5      29.190  33.040  31.490  1.00  0.00           O
ATOM     44  N   GLY A   5      26.390  32.140  31.220  1.00  0.00           N
ATOM     45  C   VAL A   6      30.820  35.710  30.930  1.00  0.00           C
ATOM     46  CB  VAL A   6      29.600  36.420  28.790  1.00  0.00           C
ATOM     47  CA  VAL A   6      29.770  35.330  29.870  1.00  0.00           C
ATOM     48  O   VAL A   6      31.030  36.870  31.300  1.00  0.00           O
ATOM     49  N   VAL A   6      28.460  34.890  30.410  1.00  0.00           N
ATOM     50  CG1 VAL A   6      29.010  35.810  27.520  1.00  0.00           C
ATOM     51  CG2 VAL A   6      28.730  37.600  29.260  1.00  0.00           C
ATOM     52  C   ARG A   7      33.810  35.390  31.800  1.00  0.00           C
ATOM     53  CB  ARG A   7      32.860  33.400  33.040  1.00  0.00           C
ATOM     54  CA  ARG A   7      32.550  34.770  32.440  1.00  0.00           C
ATOM     55  CG  ARG A   7      33.830  33.490  34.220  1.00  0.00           C
ATOM     56  NE  ARG A   7      33.210  31.300  35.210  1.00  0.00           N
ATOM     57  O   ARG A   7      34.520  34.740  31.030  1.00  0.00           O
ATOM     58  N   ARG A   7      31.440  34.670  31.480  1.00  0.00           N
ATOM     59  CZ  ARG A   7      32.900  30.070  34.790  1.00  0.00           C
ATOM     60  NH1 ARG A   7      33.600  29.430  33.850  1.00  0.00           N
ATOM     61  NH2 ARG A   7      31.840  29.450  35.310  1.00  0.00           N
ATOM     62  CD  ARG A   7      34.320  32.130  34.710  1.00  0.00           C
ATOM     63  C   VAL A   8      36.410  36.890  32.330  1.00  0.00           C
ATOM     64  CB  VAL A   8      34.960  38.960  32.000  1.00  0.00           C
ATOM     65  CA  VAL A   8      35.150  37.470  31.650  1.00  0.00           C
ATOM     66  O   VAL A   8      36.570  36.960  33.540  1.00  0.00           O
ATOM     67  N   VAL A   8      33.950  36.690  32.020  1.00  0.00           N
ATOM     68  CG1 VAL A   8      36.160  39.800  31.570  1.00  0.00           C
ATOM     69  CG2 VAL A   8      33.690  39.520  31.350  1.00  0.00           C
ATOM     70  C   LEU A   9      39.550  35.950  31.180  1.00  0.00           C
ATOM     71  OXT LEU A   9      40.630  36.080  31.730  1.00  0.00           O
ATOM     72  CB  LEU A   9      38.160  33.880  31.600  1.00  0.00           C
ATOM     73  CA  LEU A   9      38.340  35.370  31.930  1.00  0.00           C
ATOM     74  CG  LEU A   9      39.200  32.970  32.260  1.00  0.00           C
ATOM     75  O   LEU A   9      39.450  36.350  29.900  1.00  0.00           O
ATOM     76  N   LEU A   9      37.090  36.060  31.540  1.00  0.00           N
ATOM     77  CD1 LEU A   9      38.960  32.860  33.770  1.00  0.00           C
ATOM     78  CD2 LEU A   9      39.190  31.590  31.600  1.00  0.00           C
TER      79      LEU A   9
ATOM     80  C   ASP B   1      36.592  29.840  26.779  1.00  0.00           C
ATOM     81  CB  ASP B   1      38.765  31.100  27.426  1.00  0.00           C
ATOM     82  CA  ASP B   1      37.495  30.376  27.917  1.00  0.00           C
ATOM     83  CG  ASP B   1      38.518  32.577  27.083  1.00  0.00           C
ATOM     84  O   ASP B   1      35.899  28.847  26.992  1.00  0.00           O
ATOM     85  N   ASP B   1      37.964  29.315  28.841  1.00  0.00           N
ATOM     86  OD1 ASP B   1      38.102  32.844  25.942  1.00  0.00           O
ATOM     87  OD2 ASP B   1      38.616  33.409  28.014  1.00  0.00           O
ATOM     88  C   TYR B   2      35.925  28.582  24.039  1.00  0.00           C
ATOM     89  CD2 TYR B   2      34.391  32.706  23.054  1.00  0.00           C
ATOM     90  OH  TYR B   2      34.484  36.080  24.236  1.00  0.00           O
ATOM     91  CB  TYR B   2      36.170  30.892  23.161  1.00  0.00           C
ATOM     92  CA  TYR B   2      35.811  30.076  24.416  1.00  0.00           C
ATOM     93  CG  TYR B   2      35.728  32.355  23.214  1.00  0.00           C
ATOM     94  O   TYR B   2      34.914  27.919  23.819  1.00  0.00           O
ATOM     95  N   TYR B   2      36.618  30.468  25.601  1.00  0.00           N
ATOM     96  CZ  TYR B   2      34.912  34.995  23.546  1.00  0.00           C
ATOM     97  CE2 TYR B   2      33.985  34.017  23.202  1.00  0.00           C
ATOM     98  CE1 TYR B   2      36.260  34.666  23.631  1.00  0.00           C
ATOM     99  CD1 TYR B   2      36.658  33.340  23.478  1.00  0.00           C
ATOM    100  C   HIS B   3      36.857  25.648  24.833  1.00  0.00           C
ATOM    101  CE1 HIS B   3      40.690  29.718  23.622  1.00  0.00           C
ATOM    102  CB  HIS B   3      39.056  26.511  24.099  1.00  0.00           C
ATOM    103  CA  HIS B   3      37.535  26.651  23.886  1.00  0.00           C
ATOM    104  CG  HIS B   3      39.872  27.728  23.650  1.00  0.00           C
ATOM    105  O   HIS B   3      36.709  24.477  24.494  1.00  0.00           O
ATOM    106  N   HIS B   3      37.143  28.066  24.131  1.00  0.00           N
ATOM    107  CD2 HIS B   3      40.601  27.855  22.545  1.00  0.00           C
ATOM    108  ND1 HIS B   3      39.931  28.879  24.322  1.00  0.00           N
ATOM    109  NE2 HIS B   3      41.098  29.084  22.525  1.00  0.00           N
ATOM    110  C   HIS B   4      34.428  25.513  27.278  1.00  0.00           C
ATOM    111  CE1 HIS B   4      40.101  24.943  28.990  1.00  0.00           C
ATOM    112  CB  HIS B   4      36.606  25.825  28.458  1.00  0.00           C
ATOM    113  CA  HIS B   4      35.956  25.338  27.154  1.00  0.00           C
ATOM    114  CG  HIS B   4      38.134  25.677  28.510  1.00  0.00           C
ATOM    115  O   HIS B   4      33.694  24.539  27.446  1.00  0.00           O
ATOM    116  N   HIS B   4      36.504  26.133  26.025  1.00  0.00           N
ATOM    117  CD2 HIS B   4      39.032  26.441  27.878  1.00  0.00           C
ATOM    118  ND1 HIS B   4      38.805  24.765  29.207  1.00  0.00           N
ATOM    119  NE2 HIS B   4      40.248  25.972  28.169  1.00  0.00           N
ATOM    120  CA  GLY B   5      32.559  27.127  27.287  1.00  0.00           C
ATOM    121  C   GLY B   5      32.212  28.210  26.265  1.00  0.00           C
ATOM    122  O   GLY B   5      32.806  29.293  26.266  1.00  0.00           O
ATOM    123  N   GLY B   5      33.986  26.763  27.230  1.00  0.00           N
ATOM    124  C   VAL B   6      30.049  30.211  24.979  1.00  0.00           C
ATOM    125  CB  VAL B   6      29.636  28.139  23.527  1.00  0.00           C
ATOM    126  CA  VAL B   6      30.613  28.870  24.473  1.00  0.00           C
ATOM    127  O   VAL B   6      28.848  30.414  25.185  1.00  0.00           O
ATOM    128  N   VAL B   6      31.129  27.965  25.528  1.00  0.00           N
ATOM    129  CG1 VAL B   6      30.402  27.154  22.645  1.00  0.00           C
ATOM    130  CG2 VAL B   6      28.509  27.406  24.277  1.00  0.00           C
ATOM    131  C   ARG B   7      30.013  33.307  24.522  1.00  0.00           C
ATOM    132  CB  ARG B   7      31.975  33.203  26.116  1.00  0.00           C
ATOM    133  CA  ARG B   7      30.694  32.510  25.654  1.00  0.00           C
ATOM    134  CG  ARG B   7      31.697  34.555  26.774  1.00  0.00           C
ATOM    135  NE  ARG B   7      33.846  34.669  28.010  1.00  0.00           N
ATOM    136  O   ARG B   7      30.654  33.708  23.548  1.00  0.00           O
ATOM    137  N   ARG B   7      30.977  31.123  25.254  1.00  0.00           N
ATOM    138  CZ  ARG B   7      35.131  34.363  27.802  1.00  0.00           C
ATOM    139  NH1 ARG B   7      35.777  34.683  26.678  1.00  0.00           N
ATOM    140  NH2 ARG B   7      35.803  33.697  28.741  1.00  0.00           N
ATOM    141  CD  ARG B   7      32.959  35.364  27.061  1.00  0.00           C
ATOM    142  C   VAL B   8      28.235  35.692  23.857  1.00  0.00           C
ATOM    143  CB  VAL B   8      26.346  33.998  24.095  1.00  0.00           C
ATOM    144  CA  VAL B   8      27.835  34.204  23.750  1.00  0.00           C
ATOM    145  O   VAL B   8      28.051  36.329  24.884  1.00  0.00           O
ATOM    146  N   VAL B   8      28.691  33.368  24.617  1.00  0.00           N
ATOM    147  CG1 VAL B   8      25.434  34.802  23.171  1.00  0.00           C
ATOM    148  CG2 VAL B   8      25.963  32.516  24.019  1.00  0.00           C
ATOM    149  C   LEU B   9      28.965  38.163  21.527  1.00  0.00           C
ATOM    150  OXT LEU B   9      28.689  39.350  21.567  1.00  0.00           O
ATOM    151  CB  LEU B   9      31.116  37.332  22.565  1.00  0.00           C
ATOM    152  CA  LEU B   9      29.593  37.451  22.736  1.00  0.00           C
ATOM    153  CG  LEU B   9      31.866  38.653  22.758  1.00  0.00           C
ATOM    154  O   LEU B   9      28.683  37.495  20.395  1.00  0.00           O
ATOM    155  N   LEU B   9      29.059  36.079  22.884  1.00  0.00           N
ATOM    156  CD1 LEU B   9      31.874  39.074  24.232  1.00  0.00           C
ATOM    157  CD2 LEU B   9      33.290  38.537  22.212  1.00  0.00           C
TER     158      LEU B   9
ENDMDL
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: October 18th, 2018.