CNRS Nantes University UFIP UFIP
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***  my_2  ***

elNémo ID: 21011507590696585

Job options:

ID        	=	 21011507590696585
JOBID     	=	 my_2
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_2

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 700000.00000 step= 350000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   83.399   83.399   83.399  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2     159.560  79.050  65.730  1.00  0.00           C
ATOM      2  CA  CYS     3     159.020  81.230  62.500  1.00  0.00           C
ATOM      3  CA  PRO     4     159.210  85.140  62.740  1.00  0.00           C
ATOM      4  CA  LEU     5     155.380  85.550  62.720  1.00  0.00           C
ATOM      5  CA  GLU     6     154.950  82.910  65.510  1.00  0.00           C
ATOM      6  CA  LYS     7     157.340  85.190  67.450  1.00  0.00           C
ATOM      7  CA  ALA     8     155.630  88.450  66.390  1.00  0.00           C
ATOM      8  CA  LEU     9     152.160  87.740  67.920  1.00  0.00           C
ATOM      9  CA  ASP    10     153.970  87.340  71.420  1.00  0.00           C
ATOM     10  CA  VAL    11     154.970  91.060  71.320  1.00  0.00           C
ATOM     11  CA  MET    12     151.360  91.930  70.310  1.00  0.00           C
ATOM     12  CA  VAL    13     150.100  90.040  73.490  1.00  0.00           C
ATOM     13  CA  SER    14     152.880  91.680  75.630  1.00  0.00           C
ATOM     14  CA  THR    15     152.200  95.350  74.700  1.00  0.00           C
ATOM     15  CA  PHE    16     148.510  95.190  75.950  1.00  0.00           C
ATOM     16  CA  HIS    17     149.430  94.000  79.550  1.00  0.00           C
ATOM     17  CA  LYS    18     152.060  96.830  79.560  1.00  0.00           C
ATOM     18  CA  TYR    19     149.320  99.630  79.240  1.00  0.00           C
ATOM     19  CA  SER    20     146.100  98.190  80.700  1.00  0.00           C
ATOM     20  CA  GLY    21     146.030  98.240  84.630  1.00  0.00           C
ATOM     21  CA  LYS    22     145.780 102.080  85.470  1.00  0.00           C
ATOM     22  CA  GLU    23     141.970 102.620  85.290  1.00  0.00           C
ATOM     23  CA  GLY    24     140.690  98.930  84.730  1.00  0.00           C
ATOM     24  CA  ASP    25     141.450  95.520  86.130  1.00  0.00           C
ATOM     25  CA  LYS    26     143.920  94.830  83.160  1.00  0.00           C
ATOM     26  CA  PHE    27     141.040  93.020  81.250  1.00  0.00           C
ATOM     27  CA  LYS    28     140.300  95.960  78.860  1.00  0.00           C
ATOM     28  CA  LEU    29     142.130  99.100  77.610  1.00  0.00           C
ATOM     29  CA  ASN    30     140.680 102.500  78.610  1.00  0.00           C
ATOM     30  CA  LYS    31     140.600 106.280  77.970  1.00  0.00           C
ATOM     31  CA  SER    32     143.820 107.160  79.980  1.00  0.00           C
ATOM     32  CA  GLU    33     145.620 103.900  79.150  1.00  0.00           C
ATOM     33  CA  LEU    34     144.950 104.050  75.360  1.00  0.00           C
ATOM     34  CA  LYS    35     146.180 107.780  75.610  1.00  0.00           C
ATOM     35  CA  GLU    36     149.350 106.450  77.410  1.00  0.00           C
ATOM     36  CA  LEU    37     149.940 103.680  74.750  1.00  0.00           C
ATOM     37  CA  LEU    38     149.500 106.350  72.060  1.00  0.00           C
ATOM     38  CA  THR    39     151.820 108.940  73.730  1.00  0.00           C
ATOM     39  CA  ARG    40     154.760 106.580  74.880  1.00  0.00           C
ATOM     40  CA  GLU    41     154.610 103.680  72.340  1.00  0.00           C
ATOM     41  CA  LEU    42     152.860 105.230  69.250  1.00  0.00           C
ATOM     42  CA  PRO    43     154.330 108.820  68.720  1.00  0.00           C
ATOM     43  CA  SER    44     155.470 107.630  65.250  1.00  0.00           C
ATOM     44  CA  PHE    45     151.730 107.570  64.390  1.00  0.00           C
ATOM     45  CA  LEU    46     150.750 110.960  66.240  1.00  0.00           C
ATOM     46  CA  GLY    47     150.620 114.490  64.790  1.00  0.00           C
ATOM     47  CA  LYS    48     152.550 117.690  66.000  1.00  0.00           C
ATOM     48  CA  ARG    49     150.320 117.840  69.170  1.00  0.00           C
ATOM     49  CA  THR    50     147.700 115.750  71.000  1.00  0.00           C
ATOM     50  CA  ASP    51     144.570 117.420  72.520  1.00  0.00           C
ATOM     51  CA  GLU    52     142.090 116.200  75.210  1.00  0.00           C
ATOM     52  CA  ALA    53     139.090 117.290  73.100  1.00  0.00           C
ATOM     53  CA  ALA    54     140.370 115.440  70.020  1.00  0.00           C
ATOM     54  CA  PHE    55     140.530 111.970  71.850  1.00  0.00           C
ATOM     55  CA  GLN    56     136.710 111.300  72.300  1.00  0.00           C
ATOM     56  CA  LYS    57     136.530 110.730  68.530  1.00  0.00           C
ATOM     57  CA  LEU    58     139.570 108.460  68.470  1.00  0.00           C
ATOM     58  CA  MET    59     137.740 106.610  71.380  1.00  0.00           C
ATOM     59  CA  SER    60     134.520 106.450  69.170  1.00  0.00           C
ATOM     60  CA  ASN    61     136.780 104.530  66.550  1.00  0.00           C
ATOM     61  CA  LEU    62     138.860 102.320  68.910  1.00  0.00           C
ATOM     62  CA  ASP    63     135.530 101.220  70.540  1.00  0.00           C
ATOM     63  CA  SER    64     134.520  98.510  68.010  1.00  0.00           C
ATOM     64  CA  ASN    65     132.000  96.690  70.480  1.00  0.00           C
ATOM     65  CA  ARG    66     130.460 100.220  71.480  1.00  0.00           C
ATOM     66  CA  ASP    67     130.850  99.920  75.300  1.00  0.00           C
ATOM     67  CA  ASN    68     133.650 102.700  76.040  1.00  0.00           C
ATOM     68  CA  GLU    69     136.350 100.060  76.750  1.00  0.00           C
ATOM     69  CA  VAL    70     138.660  98.120  74.360  1.00  0.00           C
ATOM     70  CA  ASP    71     138.740  94.310  74.620  1.00  0.00           C
ATOM     71  CA  PHE    72     141.940  92.580  73.530  1.00  0.00           C
ATOM     72  CA  GLN    73     139.910  91.760  70.350  1.00  0.00           C
ATOM     73  CA  GLU    74     139.180  95.560  69.790  1.00  0.00           C
ATOM     74  CA  TYR    75     142.910  96.120  70.390  1.00  0.00           C
ATOM     75  CA  CYS    76     143.760  93.430  67.830  1.00  0.00           C
ATOM     76  CA  VAL    77     141.690  95.130  65.070  1.00  0.00           C
ATOM     77  CA  PHE    78     143.220  98.410  66.320  1.00  0.00           C
ATOM     78  CA  LEU    79     146.710  97.060  65.730  1.00  0.00           C
ATOM     79  CA  SER    80     145.540  95.780  62.280  1.00  0.00           C
ATOM     80  CA  CYS    81     144.260  99.320  61.380  1.00  0.00           C
ATOM     81  CA  ILE    82     147.720 100.800  61.910  1.00  0.00           C
ATOM     82  CA  ALA    83     149.950  97.970  60.630  1.00  0.00           C
ATOM     83  CA  MET    84     150.250  99.680  57.020  1.00  0.00           C
ATOM     84  CA  MET    85     150.810 103.260  58.580  1.00  0.00           C
ATOM     85  CA  CYS    86     154.290 102.090  59.680  1.00  0.00           C
ATOM     86  CA  ASN    87     155.090 100.980  56.040  1.00  0.00           C
ATOM     87  CA  GLU    88     156.850 102.570  53.020  1.00  0.00           C
ATOM     88  CA  PHE    89     155.480 100.380  50.100  1.00  0.00           C
ATOM     89  CA  PHE    90     151.750 100.400  51.180  1.00  0.00           C
ATOM     90  CA  GLU    91     149.140 103.070  51.890  1.00  0.00           C
ATOM     91  CA  GLY    92     146.560 101.110  54.190  1.00  0.00           C
ATOM     92  CA  PHE    93     142.770 101.150  54.370  1.00  0.00           C
ATOM     93  CA  PRO    94     140.660 104.030  52.790  1.00  0.00           C
ATOM     94  CA  ALA     2     162.020 101.620  66.220  1.00  0.00           C
ATOM     95  CA  CYS     3     160.640  99.800  69.280  1.00  0.00           C
ATOM     96  CA  PRO     4     159.540  95.970  69.500  1.00  0.00           C
ATOM     97  CA  LEU     5     155.750  96.650  68.640  1.00  0.00           C
ATOM     98  CA  GLU     6     156.620  98.840  65.630  1.00  0.00           C
ATOM     99  CA  LYS     7     158.870  95.970  64.360  1.00  0.00           C
ATOM    100  CA  ALA     8     156.210  93.290  65.190  1.00  0.00           C
ATOM    101  CA  LEU     9     153.840  95.210  62.870  1.00  0.00           C
ATOM    102  CA  ASP    10     156.800  95.300  60.310  1.00  0.00           C
ATOM    103  CA  VAL    11     156.750  91.400  60.340  1.00  0.00           C
ATOM    104  CA  MET    12     152.890  91.310  60.150  1.00  0.00           C
ATOM    105  CA  VAL    13     153.040  93.070  56.730  1.00  0.00           C
ATOM    106  CA  SER    14     156.400  91.470  55.450  1.00  0.00           C
ATOM    107  CA  THR    15     154.960  87.980  56.140  1.00  0.00           C
ATOM    108  CA  PHE    16     151.960  89.030  53.980  1.00  0.00           C
ATOM    109  CA  HIS    17     154.120  90.480  51.150  1.00  0.00           C
ATOM    110  CA  LYS    18     155.990  87.120  50.950  1.00  0.00           C
ATOM    111  CA  TYR    19     152.620  85.490  49.630  1.00  0.00           C
ATOM    112  CA  SER    20     150.370  88.270  48.460  1.00  0.00           C
ATOM    113  CA  GLY    21     150.380  88.890  44.670  1.00  0.00           C
ATOM    114  CA  LYS    22     147.830  86.480  43.010  1.00  0.00           C
ATOM    115  CA  GLU    23     148.260  88.550  39.770  1.00  0.00           C
ATOM    116  CA  GLY    24     150.290  91.590  40.780  1.00  0.00           C
ATOM    117  CA  ASP    25     148.740  93.800  43.510  1.00  0.00           C
ATOM    118  CA  LYS    26     150.490  92.940  46.890  1.00  0.00           C
ATOM    119  CA  PHE    27     147.310  93.900  48.850  1.00  0.00           C
ATOM    120  CA  LYS    28     145.560  90.790  47.260  1.00  0.00           C
ATOM    121  CA  LEU    29     146.140  87.000  48.090  1.00  0.00           C
ATOM    122  CA  ASN    30     145.340  83.620  46.460  1.00  0.00           C
ATOM    123  CA  LYS    31     143.610  80.960  48.810  1.00  0.00           C
ATOM    124  CA  SER    32     146.460  78.450  48.030  1.00  0.00           C
ATOM    125  CA  GLU    33     149.190  81.130  48.910  1.00  0.00           C
ATOM    126  CA  LEU    34     147.140  81.720  52.200  1.00  0.00           C
ATOM    127  CA  LYS    35     147.760  77.920  52.680  1.00  0.00           C
ATOM    128  CA  GLU    36     151.410  78.550  51.990  1.00  0.00           C
ATOM    129  CA  LEU    37     151.440  81.290  54.630  1.00  0.00           C
ATOM    130  CA  LEU    38     149.740  78.970  57.310  1.00  0.00           C
ATOM    131  CA  THR    39     151.980  75.890  56.760  1.00  0.00           C
ATOM    132  CA  ARG    40     155.310  77.870  56.380  1.00  0.00           C
ATOM    133  CA  GLU    41     154.810  80.620  58.900  1.00  0.00           C
ATOM    134  CA  LEU    42     152.450  79.220  61.610  1.00  0.00           C
ATOM    135  CA  PRO    43     153.600  75.510  61.970  1.00  0.00           C
ATOM    136  CA  SER    44     152.800  75.130  65.680  1.00  0.00           C
ATOM    137  CA  PHE    45     149.240  76.470  65.030  1.00  0.00           C
ATOM    138  CA  LEU    46     148.660  73.590  62.390  1.00  0.00           C
ATOM    139  CA  GLY    47     145.690  71.460  63.720  1.00  0.00           C
ATOM    140  CA  LYS    48     144.970  67.690  63.860  1.00  0.00           C
ATOM    141  CA  ARG    49     143.770  67.770  60.230  1.00  0.00           C
ATOM    142  CA  THR    50     146.280  68.740  57.390  1.00  0.00           C
ATOM    143  CA  ASP    51     143.790  67.860  54.500  1.00  0.00           C
ATOM    144  CA  GLU    52     142.580  70.520  52.060  1.00  0.00           C
ATOM    145  CA  ALA    53     138.950  69.810  52.680  1.00  0.00           C
ATOM    146  CA  ALA    54     139.450  71.010  56.240  1.00  0.00           C
ATOM    147  CA  PHE    55     141.080  74.140  54.750  1.00  0.00           C
ATOM    148  CA  GLN    56     137.870  74.460  52.430  1.00  0.00           C
ATOM    149  CA  LYS    57     135.760  74.770  55.720  1.00  0.00           C
ATOM    150  CA  LEU    58     138.120  77.470  57.090  1.00  0.00           C
ATOM    151  CA  MET    59     137.610  79.240  53.680  1.00  0.00           C
ATOM    152  CA  SER    60     133.790  78.760  53.680  1.00  0.00           C
ATOM    153  CA  ASN    61     133.800  80.950  56.820  1.00  0.00           C
ATOM    154  CA  LEU    62     136.820  83.330  56.560  1.00  0.00           C
ATOM    155  CA  ASP    63     135.820  85.080  53.390  1.00  0.00           C
ATOM    156  CA  SER    64     132.270  86.370  52.460  1.00  0.00           C
ATOM    157  CA  ASN    65     132.790  87.180  48.740  1.00  0.00           C
ATOM    158  CA  ARG    66     134.140  83.650  48.230  1.00  0.00           C
ATOM    159  CA  ASP    67     135.690  84.080  44.810  1.00  0.00           C
ATOM    160  CA  ASN    68     139.410  82.870  45.260  1.00  0.00           C
ATOM    161  CA  GLU    69     140.950  86.410  46.120  1.00  0.00           C
ATOM    162  CA  VAL    70     141.210  87.610  49.740  1.00  0.00           C
ATOM    163  CA  ASP    71     143.080  90.730  50.880  1.00  0.00           C
ATOM    164  CA  PHE    72     145.150  92.010  53.770  1.00  0.00           C
ATOM    165  CA  GLN    73     142.070  92.710  55.920  1.00  0.00           C
ATOM    166  CA  GLU    74     141.020  89.040  55.920  1.00  0.00           C
ATOM    167  CA  TYR    75     144.590  88.180  56.870  1.00  0.00           C
ATOM    168  CA  CYS    76     144.310  90.800  59.660  1.00  0.00           C
ATOM    169  CA  VAL    77     141.060  88.920  60.880  1.00  0.00           C
ATOM    170  CA  PHE    78     143.080  85.560  60.910  1.00  0.00           C
ATOM    171  CA  LEU    79     146.080  87.060  62.960  1.00  0.00           C
ATOM    172  CA  SER    80     143.670  88.900  65.300  1.00  0.00           C
ATOM    173  CA  CYS    81     142.180  85.390  66.160  1.00  0.00           C
ATOM    174  CA  ILE    82     145.600  83.800  67.100  1.00  0.00           C
ATOM    175  CA  ALA    83     146.710  86.970  69.060  1.00  0.00           C
ATOM    176  CA  MET    84     143.510  86.560  71.210  1.00  0.00           C
ATOM    177  CA  MET    85     144.420  82.780  71.630  1.00  0.00           C
ATOM    178  CA  CYS    86     147.980  83.680  72.900  1.00  0.00           C
ATOM    179  CA  ASN    87     146.300  86.210  75.250  1.00  0.00           C
ATOM    180  CA  GLU    88     144.050  83.410  76.700  1.00  0.00           C
ATOM    181  CA  PHE    89     147.190  81.290  77.370  1.00  0.00           C
ATOM    182  CA  PHE    90     148.920  84.280  79.080  1.00  0.00           C
ATOM    183  CA  GLU    91     145.810  84.670  81.270  1.00  0.00           C
ATOM    184  CA  GLY    92     145.610  80.810  81.650  1.00  0.00           C
ATOM    185  CA  PHE    93     142.100  80.090  80.050  1.00  0.00           C
ATOM    186  CA  PRO    94     141.910  76.360  78.370  1.00  0.00           C
ATOM    187  CA  TYR  1893     155.430 112.750  64.920  1.00  0.00           C
ATOM    188  CA  ARG  1894     153.670 113.110  61.500  1.00  0.00           C
ATOM    189  CA  LYS  1895     153.070 116.280  59.270  1.00  0.00           C
ATOM    190  CA  LEU  1896     149.260 116.600  59.770  1.00  0.00           C
ATOM    191  CA  GLN  1897     147.070 116.470  62.860  1.00  0.00           C
ATOM    192  CA  ARG  1898     144.430 113.630  63.700  1.00  0.00           C
ATOM    193  CA  GLU  1899     145.260 110.750  61.230  1.00  0.00           C
ATOM    194  CA  LEU  1900     144.550 107.820  63.500  1.00  0.00           C
ATOM    195  CA  GLU  1901     140.740 108.730  63.360  1.00  0.00           C
ATOM    196  CA  ASP  1902     141.320 108.470  59.470  1.00  0.00           C
ATOM    197  CA  ALA  1903     143.480 105.110  59.650  1.00  0.00           C
ATOM    198  CA  THR  1904     140.840 103.410  62.050  1.00  0.00           C
ATOM    199  CA  GLU  1905     137.700 103.730  59.950  1.00  0.00           C
ATOM    200  CA  THR  1906     137.380  99.920  59.030  1.00  0.00           C
ATOM    201  CA  ALA  1907     137.880  98.960  62.860  1.00  0.00           C
ATOM    202  CA  ASP  1908     134.330  97.630  63.460  1.00  0.00           C
ATOM    203  CA  ALA  1909     134.180  95.840  60.050  1.00  0.00           C
ATOM    204  CA  MET  1910     137.340  93.800  61.180  1.00  0.00           C
ATOM    205  CA  ASN  1911     135.840  93.260  64.680  1.00  0.00           C
ATOM    206  CA  ARG  1912     132.560  91.570  63.510  1.00  0.00           C
ATOM    207  CA  GLU  1913     134.480  88.970  61.420  1.00  0.00           C
ATOM    208  CA  VAL  1914     136.740  88.260  64.420  1.00  0.00           C
ATOM    209  CA  SER  1915     133.600  87.860  66.720  1.00  0.00           C
ATOM    210  CA  SER  1916     132.440  85.410  64.010  1.00  0.00           C
ATOM    211  CA  LEU  1917     135.750  83.490  63.290  1.00  0.00           C
ATOM    212  CA  LYS  1918     137.340  83.290  66.800  1.00  0.00           C
ATOM    213  CA  ASN  1919     135.180  80.620  68.520  1.00  0.00           C
ATOM    214  CA  LYS  1920     135.110  78.260  65.440  1.00  0.00           C
ATOM    215  CA  LEU  1921     138.940  77.710  66.220  1.00  0.00           C
ATOM    216  CA  ARG  1922     138.730  77.530  70.030  1.00  0.00           C
ATOM    217  CA  ARG  1923     135.540  75.370  70.170  1.00  0.00           C
ATOM    218  CA  GLY  1924     136.970  73.080  67.390  1.00  0.00           C
ATOM    219  CA  ASP  1925     134.720  73.700  64.350  1.00  0.00           C
ATOM    220  CA  LEU  1926     138.010  74.020  62.270  1.00  0.00           C
ATOM    221  CA  PRO  1927     140.600  71.100  62.940  1.00  0.00           C
ATOM    222  CA  PHE  1928     142.800  72.490  60.300  1.00  0.00           C
ATOM    223  CA  VAL  1929     143.770  75.050  63.080  1.00  0.00           C
ATOM    224  CA  VAL  1930     144.590  74.100  66.710  1.00  0.00           C
ATOM    225  CA  PRO  1931     142.110  75.110  69.560  1.00  0.00           C
ATOM    226  CA  ARG  1932     145.010  76.470  71.840  1.00  0.00           C
ATOM    227  CA  ARG  1933     148.660  77.680  71.660  1.00  0.00           C
ATOM    228  CA  MET  1934     151.050  74.720  71.290  1.00  0.00           C
ATOM    229  CA  ALA  1935     154.520  76.620  71.100  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.