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***    ***

elNémo ID: 21061619372414542

Job options:

ID        	=	 21061619372414542
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:


TITLE     Protein
REMARK    THIS IS A SIMULATION BOX
CRYST1   62.354   62.354   62.354  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  N   ASP     1      27.640  27.830  33.410  1.00  0.00
ATOM      2  H1  ASP     1      27.650  27.200  34.190  1.00  0.00
ATOM      3  H2  ASP     1      27.100  28.640  33.640  1.00  0.00
ATOM      4  CA  ASP     1      29.030  28.200  33.050  1.00  0.00
ATOM      5  CB  ASP     1      29.770  26.870  32.800  1.00  0.00
ATOM      6  CG  ASP     1      31.270  26.950  33.120  1.00  0.00
ATOM      7  OD1 ASP     1      32.030  27.370  32.230  1.00  0.00
ATOM      8  OD2 ASP     1      31.620  26.720  34.300  1.00  0.00
ATOM      9  C   ASP     1      29.110  29.200  31.870  1.00  0.00
ATOM     10  O   ASP     1      28.190  30.000  31.710  1.00  0.00
ATOM     11  N   TYR     2      30.170  29.140  31.060  1.00  0.00
ATOM     12  H   TYR     2      30.920  28.490  31.300  1.00  0.00
ATOM     13  CA  TYR     2      30.390  30.030  29.890  1.00  0.00
ATOM     14  CB  TYR     2      31.620  29.620  29.060  1.00  0.00
ATOM     15  CG  TYR     2      32.960  29.880  29.750  1.00  0.00
ATOM     16  CD1 TYR     2      33.650  28.830  30.320  1.00  0.00
ATOM     17  HD1 TYR     2      33.260  27.820  30.260  1.00  0.00
ATOM     18  CD2 TYR     2      33.470  31.170  29.860  1.00  0.00
ATOM     19  HD2 TYR     2      32.960  32.000  29.360  1.00  0.00
ATOM     20  CE1 TYR     2      34.820  29.060  31.040  1.00  0.00
ATOM     21  HE1 TYR     2      35.370  28.210  31.440  1.00  0.00
ATOM     22  CE2 TYR     2      34.630  31.410  30.570  1.00  0.00
ATOM     23  HE2 TYR     2      35.070  32.410  30.540  1.00  0.00
ATOM     24  CZ  TYR     2      35.280  30.360  31.210  1.00  0.00
ATOM     25  OH  TYR     2      36.010  30.630  32.320  1.00  0.00
ATOM     26  HH  TYR     2      36.520  31.470  32.160  1.00  0.00
ATOM     27  C   TYR     2      29.190  30.110  28.920  1.00  0.00
ATOM     28  O   TYR     2      28.780  31.200  28.530  1.00  0.00
ATOM     29  N   HIS     3      28.570  28.960  28.690  1.00  0.00
ATOM     30  H   HIS     3      28.960  28.090  29.020  1.00  0.00
ATOM     31  CA  HIS     3      27.360  28.750  27.850  1.00  0.00
ATOM     32  CB  HIS     3      27.000  27.250  27.860  1.00  0.00
ATOM     33  CG  HIS     3      28.210  26.310  27.890  1.00  0.00
ATOM     34  ND1 HIS     3      28.960  26.090  28.970  1.00  0.00
ATOM     35  CD2 HIS     3      28.720  25.610  26.880  1.00  0.00
ATOM     36  HD2 HIS     3      28.320  25.570  25.860  1.00  0.00
ATOM     37  CE1 HIS     3      29.940  25.260  28.620  1.00  0.00
ATOM     38  HE1 HIS     3      30.740  24.910  29.270  1.00  0.00
ATOM     39  NE2 HIS     3      29.790  24.970  27.330  1.00  0.00
ATOM     40  HE2 HIS     3      30.370  24.350  26.800  1.00  0.00
ATOM     41  C   HIS     3      26.120  29.510  28.350  1.00  0.00
ATOM     42  O   HIS     3      25.220  29.810  27.570  1.00  0.00
ATOM     43  N   HIS     4      26.090  29.760  29.660  1.00  0.00
ATOM     44  H   HIS     4      26.910  29.600  30.210  1.00  0.00
ATOM     45  CA  HIS     4      24.950  30.360  30.400  1.00  0.00
ATOM     46  CB  HIS     4      24.780  29.610  31.730  1.00  0.00
ATOM     47  CG  HIS     4      24.480  28.110  31.590  1.00  0.00
ATOM     48  ND1 HIS     4      23.300  27.530  31.790  1.00  0.00
ATOM     49  CD2 HIS     4      25.350  27.150  31.260  1.00  0.00
ATOM     50  HD2 HIS     4      26.410  27.280  31.070  1.00  0.00
ATOM     51  CE1 HIS     4      23.430  26.230  31.560  1.00  0.00
ATOM     52  HE1 HIS     4      22.630  25.490  31.620  1.00  0.00
ATOM     53  NE2 HIS     4      24.690  25.990  31.230  1.00  0.00
ATOM     54  HE2 HIS     4      25.090  25.110  30.970  1.00  0.00
ATOM     55  C   HIS     4      25.200  31.850  30.710  1.00  0.00
ATOM     56  O   HIS     4      24.320  32.690  30.520  1.00  0.00
ATOM     57  N   GLY     5      26.390  32.140  31.220  1.00  0.00
ATOM     58  H   GLY     5      27.080  31.430  31.390  1.00  0.00
ATOM     59  CA  GLY     5      26.830  33.510  31.540  1.00  0.00
ATOM     60  C   GLY     5      28.270  33.760  31.090  1.00  0.00
ATOM     61  O   GLY     5      29.190  33.040  31.490  1.00  0.00
ATOM     62  N   VAL     6      28.460  34.890  30.410  1.00  0.00
ATOM     63  H   VAL     6      27.680  35.450  30.140  1.00  0.00
ATOM     64  CA  VAL     6      29.770  35.330  29.870  1.00  0.00
ATOM     65  CB  VAL     6      29.600  36.420  28.790  1.00  0.00
ATOM     66  CG1 VAL     6      29.010  35.810  27.520  1.00  0.00
ATOM     67  CG2 VAL     6      28.730  37.600  29.260  1.00  0.00
ATOM     68  C   VAL     6      30.820  35.710  30.930  1.00  0.00
ATOM     69  O   VAL     6      31.030  36.870  31.300  1.00  0.00
ATOM     70  N   ARG     7      31.440  34.670  31.480  1.00  0.00
ATOM     71  H   ARG     7      31.010  33.760  31.400  1.00  0.00
ATOM     72  CA  ARG     7      32.550  34.770  32.440  1.00  0.00
ATOM     73  CB  ARG     7      32.860  33.400  33.040  1.00  0.00
ATOM     74  CG  ARG     7      33.830  33.490  34.220  1.00  0.00
ATOM     75  CD  ARG     7      34.320  32.130  34.710  1.00  0.00
ATOM     76  NE  ARG     7      33.210  31.300  35.210  1.00  0.00
ATOM     77  HE  ARG     7      32.660  31.720  35.920  1.00  0.00
ATOM     78  CZ  ARG     7      32.900  30.070  34.790  1.00  0.00
ATOM     79  NH1 ARG     7      33.600  29.430  33.850  1.00  0.00
ATOM     80 HH11 ARG     7      34.410  29.830  33.420  1.00  0.00
ATOM     81 HH12 ARG     7      33.240  28.560  33.480  1.00  0.00
ATOM     82  NH2 ARG     7      31.840  29.450  35.310  1.00  0.00
ATOM     83 HH21 ARG     7      31.250  29.860  36.000  1.00  0.00
ATOM     84 HH22 ARG     7      31.650  28.500  34.990  1.00  0.00
ATOM     85  C   ARG     7      33.810  35.390  31.800  1.00  0.00
ATOM     86  O   ARG     7      34.520  34.740  31.030  1.00  0.00
ATOM     87  N   VAL     8      33.950  36.690  32.020  1.00  0.00
ATOM     88  H   VAL     8      33.150  37.240  32.280  1.00  0.00
ATOM     89  CA  VAL     8      35.150  37.470  31.650  1.00  0.00
ATOM     90  CB  VAL     8      34.960  38.960  32.000  1.00  0.00
ATOM     91  CG1 VAL     8      36.160  39.800  31.570  1.00  0.00
ATOM     92  CG2 VAL     8      33.690  39.520  31.350  1.00  0.00
ATOM     93  C   VAL     8      36.410  36.890  32.330  1.00  0.00
ATOM     94  O   VAL     8      36.570  36.960  33.540  1.00  0.00
ATOM     95  N   LEU     9      37.090  36.060  31.540  1.00  0.00
ATOM     96  H   LEU     9      36.660  35.720  30.710  1.00  0.00
ATOM     97  CA  LEU     9      38.340  35.370  31.930  1.00  0.00
ATOM     98  CB  LEU     9      38.160  33.880  31.600  1.00  0.00
ATOM     99  CG  LEU     9      39.200  32.970  32.260  1.00  0.00
ATOM    100  CD1 LEU     9      38.960  32.860  33.770  1.00  0.00
ATOM    101  CD2 LEU     9      39.190  31.590  31.600  1.00  0.00
ATOM    102  C   LEU     9      39.550  35.950  31.180  1.00  0.00
ATOM    103  OT  LEU     9      40.630  36.080  31.730  1.00  0.00
ATOM    104  O   LEU     9      39.450  36.350  29.900  1.00  0.00
ATOM    105  HO  LEU     9      40.380  36.680  29.720  1.00  0.00
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.