CNRS Nantes University UFIP UFIP
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***  my_1  ***

elNémo ID: 21011507584695516

Job options:

ID        	=	 21011507584695516
JOBID     	=	 my_1
USERID    	=	 unknown
PRIVAT    	=	 0

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

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 12
CAONLY    	=	 0


Input data for this run:

HEADER my_1

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 700000.00000 step= 350000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   83.403   83.403   83.403  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2      97.850  40.300  21.970  1.00  0.00           C
ATOM      2  CA  CYS     3      97.840  38.250  25.170  1.00  0.00           C
ATOM      3  CA  PRO     4      96.450  39.590  28.610  1.00  0.00           C
ATOM      4  CA  LEU     5      99.900  40.070  30.110  1.00  0.00           C
ATOM      5  CA  GLU     6     101.180  41.990  27.090  1.00  0.00           C
ATOM      6  CA  LYS     7      97.960  44.120  27.340  1.00  0.00           C
ATOM      7  CA  ALA     8      98.440  44.690  31.130  1.00  0.00           C
ATOM      8  CA  LEU     9     101.810  46.410  30.230  1.00  0.00           C
ATOM      9  CA  ASP    10     100.060  48.770  27.720  1.00  0.00           C
ATOM     10  CA  VAL    11      97.400  49.490  30.550  1.00  0.00           C
ATOM     11  CA  MET    12     100.080  50.320  33.200  1.00  0.00           C
ATOM     12  CA  VAL    13     102.040  52.430  30.660  1.00  0.00           C
ATOM     13  CA  SER    14      98.830  54.310  29.550  1.00  0.00           C
ATOM     14  CA  THR    15      97.720  55.110  33.080  1.00  0.00           C
ATOM     15  CA  PHE    16     101.050  57.070  33.940  1.00  0.00           C
ATOM     16  CA  HIS    17     100.490  59.470  30.990  1.00  0.00           C
ATOM     17  CA  LYS    18      96.930  60.020  32.060  1.00  0.00           C
ATOM     18  CA  TYR    19      98.510  62.250  34.780  1.00  0.00           C
ATOM     19  CA  SER    20     102.010  63.240  33.190  1.00  0.00           C
ATOM     20  CA  GLY    21     102.700  66.430  31.080  1.00  0.00           C
ATOM     21  CA  LYS    22      99.890  68.740  32.440  1.00  0.00           C
ATOM     22  CA  GLU    23     102.140  70.300  35.120  1.00  0.00           C
ATOM     23  CA  GLY    24     105.330  68.410  34.430  1.00  0.00           C
ATOM     24  CA  ASP    25     107.470  66.690  31.890  1.00  0.00           C
ATOM     25  CA  LYS    26     106.650  63.670  29.640  1.00  0.00           C
ATOM     26  CA  PHE    27     108.050  60.950  31.890  1.00  0.00           C
ATOM     27  CA  LYS    28     107.520  62.650  35.260  1.00  0.00           C
ATOM     28  CA  LEU    29     104.990  63.140  38.170  1.00  0.00           C
ATOM     29  CA  ASN    30     104.970  65.530  41.060  1.00  0.00           C
ATOM     30  CA  LYS    31     103.490  64.730  44.570  1.00  0.00           C
ATOM     31  CA  SER    32     100.060  66.450  44.010  1.00  0.00           C
ATOM     32  CA  GLU    33      99.450  64.520  40.740  1.00  0.00           C
ATOM     33  CA  LEU    34     100.630  61.200  42.050  1.00  0.00           C
ATOM     34  CA  LYS    35      97.740  61.770  44.560  1.00  0.00           C
ATOM     35  CA  GLU    36      95.330  61.730  41.660  1.00  0.00           C
ATOM     36  CA  LEU    37      96.970  58.540  40.030  1.00  0.00           C
ATOM     37  CA  LEU    38      96.910  56.740  43.420  1.00  0.00           C
ATOM     38  CA  THR    39      93.220  57.730  44.370  1.00  0.00           C
ATOM     39  CA  ARG    40      91.550  57.590  40.940  1.00  0.00           C
ATOM     40  CA  GLU    41      93.330  54.580  39.330  1.00  0.00           C
ATOM     41  CA  LEU    42      94.280  52.400  42.390  1.00  0.00           C
ATOM     42  CA  PRO    43      91.430  52.820  45.120  1.00  0.00           C
ATOM     43  CA  SER    44      91.500  49.350  46.820  1.00  0.00           C
ATOM     44  CA  PHE    45      95.160  50.100  48.100  1.00  0.00           C
ATOM     45  CA  LEU    46      93.770  52.880  50.410  1.00  0.00           C
ATOM     46  CA  GLY    47      93.040  52.290  54.220  1.00  0.00           C
ATOM     47  CA  LYS    48      89.950  52.010  56.500  1.00  0.00           C
ATOM     48  CA  ARG    49      90.000  55.810  57.110  1.00  0.00           C
ATOM     49  CA  THR    50      90.500  58.710  54.720  1.00  0.00           C
ATOM     50  CA  ASP    51      93.790  60.440  53.850  1.00  0.00           C
ATOM     51  CA  GLU    52      94.280  63.600  51.490  1.00  0.00           C
ATOM     52  CA  ALA    53      98.070  62.950  50.920  1.00  0.00           C
ATOM     53  CA  ALA    54      98.650  59.030  51.010  1.00  0.00           C
ATOM     54  CA  PHE    55     102.400  59.260  51.600  1.00  0.00           C
ATOM     55  CA  GLN    56     105.200  61.130  53.400  1.00  0.00           C
ATOM     56  CA  LYS    57     108.280  59.240  52.020  1.00  0.00           C
ATOM     57  CA  LEU    58     106.920  57.090  49.130  1.00  0.00           C
ATOM     58  CA  MET    59     108.460  58.960  46.150  1.00  0.00           C
ATOM     59  CA  SER    60     112.010  58.690  47.590  1.00  0.00           C
ATOM     60  CA  ASN    61     111.980  54.920  48.470  1.00  0.00           C
ATOM     61  CA  LEU    62     112.060  54.060  44.680  1.00  0.00           C
ATOM     62  CA  ASP    63     115.600  55.100  43.970  1.00  0.00           C
ATOM     63  CA  SER    64     118.920  55.820  45.690  1.00  0.00           C
ATOM     64  CA  ASN    65     118.510  59.480  44.300  1.00  0.00           C
ATOM     65  CA  ARG    66     115.980  60.440  46.990  1.00  0.00           C
ATOM     66  CA  ASP    67     114.650  63.470  45.070  1.00  0.00           C
ATOM     67  CA  ASN    68     110.900  63.340  46.090  1.00  0.00           C
ATOM     68  CA  GLU    69     109.850  63.320  42.380  1.00  0.00           C
ATOM     69  CA  VAL    70     108.850  60.380  40.080  1.00  0.00           C
ATOM     70  CA  ASP    71     110.220  59.250  36.790  1.00  0.00           C
ATOM     71  CA  PHE    72     108.590  56.550  34.610  1.00  0.00           C
ATOM     72  CA  GLN    73     111.670  54.430  35.650  1.00  0.00           C
ATOM     73  CA  GLU    74     110.480  55.060  39.330  1.00  0.00           C
ATOM     74  CA  TYR    75     106.950  54.060  38.390  1.00  0.00           C
ATOM     75  CA  CYS    76     107.940  50.650  36.910  1.00  0.00           C
ATOM     76  CA  VAL    77     109.790  49.690  40.130  1.00  0.00           C
ATOM     77  CA  PHE    78     106.700  51.040  42.000  1.00  0.00           C
ATOM     78  CA  LEU    79     103.950  49.270  40.000  1.00  0.00           C
ATOM     79  CA  SER    80     106.120  45.990  40.370  1.00  0.00           C
ATOM     80  CA  CYS    81     105.990  46.270  44.180  1.00  0.00           C
ATOM     81  CA  ILE    82     102.150  46.920  44.020  1.00  0.00           C
ATOM     82  CA  ALA    83     101.990  43.500  42.230  1.00  0.00           C
ATOM     83  CA  MET    84     104.330  42.010  44.910  1.00  0.00           C
ATOM     84  CA  MET    85     101.920  43.150  47.690  1.00  0.00           C
ATOM     85  CA  CYS    86      99.110  41.690  45.530  1.00  0.00           C
ATOM     86  CA  ASN    87     100.830  38.200  45.600  1.00  0.00           C
ATOM     87  CA  GLU    88     100.340  38.550  49.550  1.00  0.00           C
ATOM     88  CA  PHE    89      96.440  38.610  49.230  1.00  0.00           C
ATOM     89  CA  PHE    90      96.090  36.710  45.780  1.00  0.00           C
ATOM     90  CA  GLU    91      95.130  32.970  45.830  1.00  0.00           C
ATOM     91  CA  GLY    92      93.580  32.130  42.390  1.00  0.00           C
ATOM     92  CA  PHE    93      91.980  33.110  39.070  1.00  0.00           C
ATOM     93  CA  PRO    94      88.660  32.370  37.350  1.00  0.00           C
ATOM     94  CA  ALA     2      87.400  49.000  40.700  1.00  0.00           C
ATOM     95  CA  CYS     3      89.870  50.410  38.040  1.00  0.00           C
ATOM     96  CA  PRO     4      91.640  49.320  34.710  1.00  0.00           C
ATOM     97  CA  LEU     5      94.950  49.180  36.580  1.00  0.00           C
ATOM     98  CA  GLU     6      93.670  47.020  39.450  1.00  0.00           C
ATOM     99  CA  LYS     7      92.310  44.670  36.630  1.00  0.00           C
ATOM    100  CA  ALA     8      95.760  44.710  34.830  1.00  0.00           C
ATOM    101  CA  LEU     9      97.590  43.890  38.170  1.00  0.00           C
ATOM    102  CA  ASP    10      95.270  40.780  38.440  1.00  0.00           C
ATOM    103  CA  VAL    11      96.940  39.400  35.270  1.00  0.00           C
ATOM    104  CA  MET    12     100.510  40.290  36.400  1.00  0.00           C
ATOM    105  CA  VAL    13     100.040  38.040  39.530  1.00  0.00           C
ATOM    106  CA  SER    14      97.750  35.430  37.750  1.00  0.00           C
ATOM    107  CA  THR    15     100.610  34.540  35.280  1.00  0.00           C
ATOM    108  CA  PHE    16     103.130  34.240  38.180  1.00  0.00           C
ATOM    109  CA  HIS    17     100.510  32.020  40.010  1.00  0.00           C
ATOM    110  CA  LYS    18      99.670  29.870  36.950  1.00  0.00           C
ATOM    111  CA  TYR    19     103.230  28.720  36.280  1.00  0.00           C
ATOM    112  CA  SER    20     104.770  28.840  39.900  1.00  0.00           C
ATOM    113  CA  GLY    21     104.130  25.840  42.190  1.00  0.00           C
ATOM    114  CA  LYS    22     105.510  23.070  40.070  1.00  0.00           C
ATOM    115  CA  GLU    23     109.160  22.950  41.080  1.00  0.00           C
ATOM    116  CA  GLY    24     108.780  25.930  43.590  1.00  0.00           C
ATOM    117  CA  ASP    25     106.150  27.780  45.860  1.00  0.00           C
ATOM    118  CA  LYS    26     103.760  30.610  44.600  1.00  0.00           C
ATOM    119  CA  PHE    27     106.340  33.370  45.320  1.00  0.00           C
ATOM    120  CA  LYS    28     109.300  31.860  43.380  1.00  0.00           C
ATOM    121  CA  LEU    29     109.660  30.940  39.650  1.00  0.00           C
ATOM    122  CA  ASN    30     112.320  28.210  38.750  1.00  0.00           C
ATOM    123  CA  LYS    31     114.340  28.060  35.450  1.00  0.00           C
ATOM    124  CA  SER    32     111.670  25.800  33.800  1.00  0.00           C
ATOM    125  CA  GLU    33     108.650  27.660  35.460  1.00  0.00           C
ATOM    126  CA  LEU    34     109.600  31.120  34.350  1.00  0.00           C
ATOM    127  CA  LYS    35     110.220  29.560  30.840  1.00  0.00           C
ATOM    128  CA  GLU    36     106.530  28.570  30.620  1.00  0.00           C
ATOM    129  CA  LEU    37     105.360  32.150  31.390  1.00  0.00           C
ATOM    130  CA  LEU    38     107.800  33.940  28.970  1.00  0.00           C
ATOM    131  CA  THR    39     106.920  31.340  26.290  1.00  0.00           C
ATOM    132  CA  ARG    40     103.160  31.320  26.570  1.00  0.00           C
ATOM    133  CA  GLU    41     101.960  34.720  27.900  1.00  0.00           C
ATOM    134  CA  LEU    42     104.540  37.190  26.290  1.00  0.00           C
ATOM    135  CA  PRO    43     105.260  35.850  22.700  1.00  0.00           C
ATOM    136  CA  SER    44     105.730  39.410  21.240  1.00  0.00           C
ATOM    137  CA  PHE    45     108.830  39.730  23.440  1.00  0.00           C
ATOM    138  CA  LEU    46     110.480  36.350  22.390  1.00  0.00           C
ATOM    139  CA  GLY    47     113.600  37.580  20.380  1.00  0.00           C
ATOM    140  CA  LYS    48     116.140  36.440  17.740  1.00  0.00           C
ATOM    141  CA  ARG    49     117.240  33.050  19.390  1.00  0.00           C
ATOM    142  CA  THR    50     115.140  30.120  21.040  1.00  0.00           C
ATOM    143  CA  ASP    51     118.140  28.000  22.210  1.00  0.00           C
ATOM    144  CA  GLU    52     119.210  26.960  25.790  1.00  0.00           C
ATOM    145  CA  ALA    53     122.260  29.220  25.930  1.00  0.00           C
ATOM    146  CA  ALA    54     120.170  32.330  25.200  1.00  0.00           C
ATOM    147  CA  PHE    55     117.730  31.220  27.920  1.00  0.00           C
ATOM    148  CA  GLN    56     120.640  30.470  30.390  1.00  0.00           C
ATOM    149  CA  LYS    57     122.200  33.960  29.770  1.00  0.00           C
ATOM    150  CA  LEU    58     118.750  35.440  30.570  1.00  0.00           C
ATOM    151  CA  MET    59     118.010  33.420  33.720  1.00  0.00           C
ATOM    152  CA  SER    60     121.710  33.930  35.150  1.00  0.00           C
ATOM    153  CA  ASN    61     121.070  37.850  34.820  1.00  0.00           C
ATOM    154  CA  LEU    62     117.470  37.690  36.300  1.00  0.00           C
ATOM    155  CA  ASP    63     118.720  35.960  39.570  1.00  0.00           C
ATOM    156  CA  SER    64     120.820  37.480  42.430  1.00  0.00           C
ATOM    157  CA  ASN    65     122.210  34.030  43.050  1.00  0.00           C
ATOM    158  CA  ARG    66     122.690  32.960  39.360  1.00  0.00           C
ATOM    159  CA  ASP    67     121.490  29.620  40.950  1.00  0.00           C
ATOM    160  CA  ASN    68     118.410  28.830  38.760  1.00  0.00           C
ATOM    161  CA  GLU    69     115.600  30.790  40.670  1.00  0.00           C
ATOM    162  CA  VAL    70     113.830  34.220  40.940  1.00  0.00           C
ATOM    163  CA  ASP    71     111.660  35.450  43.980  1.00  0.00           C
ATOM    164  CA  PHE    72     108.860  38.010  43.220  1.00  0.00           C
ATOM    165  CA  GLN    73     111.260  40.620  44.470  1.00  0.00           C
ATOM    166  CA  GLU    74     113.920  39.490  41.930  1.00  0.00           C
ATOM    167  CA  TYR    75     111.320  39.240  39.100  1.00  0.00           C
ATOM    168  CA  CYS    76     110.170  42.840  39.970  1.00  0.00           C
ATOM    169  CA  VAL    77     113.250  43.850  37.770  1.00  0.00           C
ATOM    170  CA  PHE    78     112.160  41.870  34.630  1.00  0.00           C
ATOM    171  CA  LEU    79     108.530  43.150  34.920  1.00  0.00           C
ATOM    172  CA  SER    80     109.870  46.620  35.260  1.00  0.00           C
ATOM    173  CA  CYS    81     112.320  46.310  32.280  1.00  0.00           C
ATOM    174  CA  ILE    82     109.710  45.050  29.790  1.00  0.00           C
ATOM    175  CA  ALA    83     107.280  47.830  30.990  1.00  0.00           C
ATOM    176  CA  MET    84     109.960  50.350  29.960  1.00  0.00           C
ATOM    177  CA  MET    85     110.500  48.720  26.570  1.00  0.00           C
ATOM    178  CA  CYS    86     106.740  48.970  25.720  1.00  0.00           C
ATOM    179  CA  ASN    87     106.830  52.670  26.750  1.00  0.00           C
ATOM    180  CA  GLU    88     109.400  53.270  24.020  1.00  0.00           C
ATOM    181  CA  PHE    89     106.830  51.530  21.510  1.00  0.00           C
ATOM    182  CA  PHE    90     103.930  53.670  23.000  1.00  0.00           C
ATOM    183  CA  GLU    91     104.330  56.490  20.490  1.00  0.00           C
ATOM    184  CA  GLY    92     106.250  56.780  17.150  1.00  0.00           C
ATOM    185  CA  PHE    93     109.380  58.910  16.800  1.00  0.00           C
ATOM    186  CA  PRO    94     109.070  61.960  14.220  1.00  0.00           C
ATOM    187  CA  TYR  1893      89.860  49.020  51.450  1.00  0.00           C
ATOM    188  CA  ARG  1894      92.820  47.880  53.470  1.00  0.00           C
ATOM    189  CA  LYS  1895      92.550  47.380  57.240  1.00  0.00           C
ATOM    190  CA  LEU  1896      95.830  49.280  58.130  1.00  0.00           C
ATOM    191  CA  GLN  1897      96.930  52.660  56.630  1.00  0.00           C
ATOM    192  CA  ARG  1898      99.850  53.330  54.140  1.00  0.00           C
ATOM    193  CA  GLU  1899     101.140  49.750  53.470  1.00  0.00           C
ATOM    194  CA  LEU  1900     102.620  50.780  50.050  1.00  0.00           C
ATOM    195  CA  GLU  1901     105.070  53.100  51.780  1.00  0.00           C
ATOM    196  CA  ASP  1902     106.170  49.950  53.780  1.00  0.00           C
ATOM    197  CA  ALA  1903     105.980  47.300  50.900  1.00  0.00           C
ATOM    198  CA  THR  1904     108.460  49.580  48.920  1.00  0.00           C
ATOM    199  CA  GLU  1905     111.200  48.580  51.630  1.00  0.00           C
ATOM    200  CA  THR  1906     113.570  47.270  48.850  1.00  0.00           C
ATOM    201  CA  ALA  1907     112.640  49.180  45.610  1.00  0.00           C
ATOM    202  CA  ASP  1908     115.820  51.440  45.410  1.00  0.00           C
ATOM    203  CA  ALA  1909     117.800  48.130  45.250  1.00  0.00           C
ATOM    204  CA  MET  1910     115.530  47.230  42.200  1.00  0.00           C
ATOM    205  CA  ASN  1911     116.430  50.700  40.710  1.00  0.00           C
ATOM    206  CA  ARG  1912     120.150  49.590  41.070  1.00  0.00           C
ATOM    207  CA  GLU  1913     119.370  46.600  38.780  1.00  0.00           C
ATOM    208  CA  VAL  1914     116.790  48.110  36.380  1.00  0.00           C
ATOM    209  CA  SER  1915     119.730  50.530  35.600  1.00  0.00           C
ATOM    210  CA  SER  1916     121.510  47.400  34.210  1.00  0.00           C
ATOM    211  CA  LEU  1917     118.910  44.910  32.850  1.00  0.00           C
ATOM    212  CA  LYS  1918     117.160  47.670  30.790  1.00  0.00           C
ATOM    213  CA  ASN  1919     120.370  48.250  28.770  1.00  0.00           C
ATOM    214  CA  LYS  1920     121.490  44.510  28.660  1.00  0.00           C
ATOM    215  CA  LEU  1921     118.150  43.980  26.880  1.00  0.00           C
ATOM    216  CA  ARG  1922     118.220  47.150  24.560  1.00  0.00           C
ATOM    217  CA  ARG  1923     121.910  46.640  23.440  1.00  0.00           C
ATOM    218  CA  GLY  1924     121.390  42.970  22.560  1.00  0.00           C
ATOM    219  CA  ASP  1925     123.390  41.370  25.460  1.00  0.00           C
ATOM    220  CA  LEU  1926     120.230  39.200  25.990  1.00  0.00           C
ATOM    221  CA  PRO  1927     118.930  37.950  22.520  1.00  0.00           C
ATOM    222  CA  PHE  1928     116.470  35.490  24.120  1.00  0.00           C
ATOM    223  CA  VAL  1929     114.270  38.670  24.530  1.00  0.00           C
ATOM    224  CA  VAL  1930     113.890  41.550  22.030  1.00  0.00           C
ATOM    225  CA  PRO  1931     116.050  44.700  22.540  1.00  0.00           C
ATOM    226  CA  ARG  1932     113.090  46.900  21.450  1.00  0.00           C
ATOM    227  CA  ARG  1933     109.290  46.360  20.570  1.00  0.00           C
ATOM    228  CA  MET  1934     108.100  46.400  16.980  1.00  0.00           C
ATOM    229  CA  ALA  1935     105.050  45.550  14.680  1.00  0.00           C
TER
ENDMDL



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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.