CNRS Nantes University UFIP UFIP
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***    ***

elNémo ID: 22082708105795289

Job options:

ID        	=	 22082708105795289
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:


ATOM      1  N   CYS A   1       0.715  -3.685  -0.528  1.00649.66           N  
ATOM      2  HT1 CYS A   1       0.610  -4.698  -0.737  1.00798.77           H  
ATOM      3  HT2 CYS A   1      -0.033  -3.151  -1.016  1.00657.21           H  
ATOM      4  HT3 CYS A   1       0.636  -3.535   0.498  1.00931.85           H  
ATOM      5  CA  CYS A   1       2.048  -3.215  -0.998  1.00427.95           C  
ATOM      6  HA  CYS A   1       2.758  -3.282  -0.186  1.00631.50           H  
ATOM      7  HB1 CYS A   1       1.754  -4.129  -2.919  1.00676.28           H  
ATOM      8  HB2 CYS A   1       2.705  -5.097  -1.792  1.00622.72           H  
ATOM      9  CB  CYS A   1       2.518  -4.098  -2.156  1.00468.91           C  
ATOM     10  SG  CYS A   1       4.041  -3.414  -2.852  1.00451.84           S  
ATOM     11  C   CYS A   1       1.941  -1.766  -1.452  1.00199.60           C  
ATOM     12  O   CYS A   1       0.900  -1.334  -1.945  1.00339.60           O  
ATOM     13  N   ARG A   2       3.024  -1.019  -1.276  1.00118.52           N  
ATOM     14  HN  ARG A   2       3.824  -1.417  -0.874  1.00261.74           H  
ATOM     15  CA  ARG A   2       3.040   0.383  -1.666  1.00 79.48           C  
ATOM     16  HA  ARG A   2       2.030   0.757  -1.660  1.00197.79           H  
ATOM     17  CB  ARG A   2       3.881   1.188  -0.671  1.00247.64           C  
ATOM     18  HB1 ARG A   2       4.898   0.825  -0.689  1.00453.59           H  
ATOM     19  HB2 ARG A   2       3.476   1.061   0.323  1.00442.63           H  
ATOM     20  CG  ARG A   2       3.870   2.679  -1.036  1.00354.53           C  
ATOM     21  HG1 ARG A   2       4.117   2.799  -2.080  1.00430.97           H  
ATOM     22  HG2 ARG A   2       4.603   3.197  -0.433  1.00436.52           H  
ATOM     23  CD  ARG A   2       2.484   3.274  -0.770  1.00676.91           C  
ATOM     24  HD1 ARG A   2       1.746   2.761  -1.366  1.00858.93           H  
ATOM     25  HD2 ARG A   2       2.489   4.320  -1.037  1.00881.39           H  
ATOM     26  NE  ARG A   2       2.147   3.144   0.644  1.00944.11           N  
ATOM     27  HE  ARG A   2       2.827   2.809   1.267  1.00999.99           H  
ATOM     28  CZ  ARG A   2       0.940   3.465   1.113  1.00999.99           C  
ATOM     29  NH1 ARG A   2       0.004   3.906   0.311  1.00999.99           N1+
ATOM     30 HH11 ARG A   2       0.184   4.009  -0.666  1.00999.99           H  
ATOM     31 HH12 ARG A   2      -0.896   4.142   0.678  1.00999.99           H  
ATOM     32  NH2 ARG A   2       0.688   3.338   2.388  1.00999.99           N  
ATOM     33 HH21 ARG A   2       1.399   3.003   3.007  1.00999.99           H  
ATOM     34 HH22 ARG A   2      -0.215   3.576   2.746  1.00999.99           H  
ATOM     35  C   ARG A   2       3.621   0.536  -3.064  1.00130.89           C  
ATOM     36  O   ARG A   2       4.738   0.097  -3.335  1.00320.79           O  
ATOM     37  N   ALA A   3       2.859   1.167  -3.943  1.00295.26           N  
ATOM     38  HN  ALA A   3       1.979   1.501  -3.669  1.00420.29           H  
ATOM     39  CA  ALA A   3       3.311   1.382  -5.306  1.00618.73           C  
ATOM     40  HA  ALA A   3       4.068   0.648  -5.544  1.00942.32           H  
ATOM     41  CB  ALA A   3       2.131   1.207  -6.266  1.00999.99           C  
ATOM     42  HB1 ALA A   3       1.256   1.685  -5.852  1.00999.99           H  
ATOM     43  HB2 ALA A   3       1.934   0.155  -6.407  1.00999.99           H  
ATOM     44  HB3 ALA A   3       2.371   1.658  -7.217  1.00999.99           H  
ATOM     45  C   ALA A   3       3.919   2.780  -5.432  1.00501.02           C  
ATOM     46  O   ALA A   3       5.125   2.956  -5.258  1.00677.97           O  
ATOM     47  N   GLY A   4       3.079   3.775  -5.703  1.00436.56           N  
ATOM     48  HN  GLY A   4       2.125   3.586  -5.808  1.00542.01           H  
ATOM     49  CA  GLY A   4       3.547   5.152  -5.810  1.00431.27           C  
ATOM     50  HA1 GLY A   4       4.360   5.305  -5.117  1.00630.48           H  
ATOM     51  HA2 GLY A   4       2.738   5.818  -5.549  1.00699.19           H  
ATOM     52  C   GLY A   4       4.031   5.496  -7.213  1.00160.17           C  
ATOM     53  O   GLY A   4       4.257   6.665  -7.525  1.00299.84           O  
ATOM     54  N   VAL A   5       4.186   4.488  -8.057  1.00 74.68           N  
ATOM     55  HN  VAL A   5       3.992   3.573  -7.765  1.00141.87           H  
ATOM     56  CA  VAL A   5       4.643   4.723  -9.418  1.00191.88           C  
ATOM     57  HA  VAL A   5       3.989   5.449  -9.878  1.00415.74           H  
ATOM     58  CB  VAL A   5       6.077   5.296  -9.407  1.00456.20           C  
ATOM     59  HB  VAL A   5       6.071   6.239  -8.878  1.00576.78           H  
ATOM     60  CG1 VAL A   5       7.036   4.332  -8.684  1.00811.88           C  
ATOM     61 HG11 VAL A   5       7.346   3.547  -9.357  1.00981.46           H  
ATOM     62 HG12 VAL A   5       6.539   3.896  -7.829  1.00940.24           H  
ATOM     63 HG13 VAL A   5       7.906   4.879  -8.349  1.00999.99           H  
ATOM     64  CG2 VAL A   5       6.560   5.535 -10.849  1.00802.09           C  
ATOM     65 HG21 VAL A   5       6.928   4.612 -11.270  1.00948.58           H  
ATOM     66 HG22 VAL A   5       7.355   6.265 -10.842  1.00923.98           H  
ATOM     67 HG23 VAL A   5       5.742   5.904 -11.450  1.00999.99           H  
ATOM     68  C   VAL A   5       4.576   3.432 -10.226  1.00215.81           C  
ATOM     69  O   VAL A   5       5.593   2.881 -10.640  1.00469.71           O  
ATOM     70  N   GLY A   6       3.358   2.955 -10.450  1.00193.37           N  
ATOM     71  HN  GLY A   6       2.579   3.436 -10.100  1.00214.87           H  
ATOM     72  CA  GLY A   6       3.163   1.734 -11.213  1.00369.32           C  
ATOM     73  HA1 GLY A   6       3.551   1.874 -12.211  1.00568.33           H  
ATOM     74  HA2 GLY A   6       2.106   1.518 -11.270  1.00598.79           H  
ATOM     75  C   GLY A   6       3.876   0.559 -10.565  1.00236.90           C  
ATOM     76  O   GLY A   6       3.650   0.246  -9.397  1.00442.19           O  
ATOM     77  N   ARG A   7       4.731  -0.089 -11.340  1.00108.72           N  
ATOM     78  HN  ARG A   7       4.860   0.207 -12.265  1.00171.18           H  
ATOM     79  CA  ARG A   7       5.474  -1.239 -10.851  1.00 87.70           C  
ATOM     80  HA  ARG A   7       4.780  -2.027 -10.608  1.00178.04           H  
ATOM     81  CB  ARG A   7       6.430  -1.737 -11.937  1.00154.12           C  
ATOM     82  HB1 ARG A   7       6.965  -2.603 -11.574  1.00310.42           H  
ATOM     83  HB2 ARG A   7       7.136  -0.956 -12.180  1.00317.73           H  
ATOM     84  CG  ARG A   7       5.643  -2.120 -13.195  1.00246.34           C  
ATOM     85  HG1 ARG A   7       6.331  -2.327 -14.000  1.00397.97           H  
ATOM     86  HG2 ARG A   7       4.996  -1.302 -13.478  1.00335.09           H  
ATOM     87  CD  ARG A   7       4.796  -3.365 -12.923  1.00508.68           C  
ATOM     88  HD1 ARG A   7       4.043  -3.132 -12.185  1.00724.12           H  
ATOM     89  HD2 ARG A   7       5.427  -4.156 -12.549  1.00737.39           H  
ATOM     90  NE  ARG A   7       4.145  -3.802 -14.154  1.00685.47           N  
ATOM     91  HE  ARG A   7       3.211  -3.552 -14.314  1.00801.50           H  
ATOM     92  CZ  ARG A   7       4.787  -4.533 -15.069  1.00999.99           C  
ATOM     93  NH1 ARG A   7       6.033  -4.891 -14.890  1.00999.99           N1+
ATOM     94 HH11 ARG A   7       6.523  -4.621 -14.064  1.00999.99           H  
ATOM     95 HH12 ARG A   7       6.496  -5.438 -15.586  1.00999.99           H  
ATOM     96  NH2 ARG A   7       4.165  -4.891 -16.159  1.00999.99           N  
ATOM     97 HH21 ARG A   7       3.215  -4.617 -16.305  1.00999.99           H  
ATOM     98 HH22 ARG A   7       4.640  -5.436 -16.849  1.00999.99           H  
ATOM     99  C   ARG A   7       6.267  -0.881  -9.600  1.00179.51           C  
ATOM    100  O   ARG A   7       6.140   0.219  -9.061  1.00433.27           O  
ATOM    101  N   GLY A   8       7.075  -1.825  -9.138  1.00261.02           N  
ATOM    102  HN  GLY A   8       7.126  -2.685  -9.604  1.00341.87           H  
ATOM    103  CA  GLY A   8       7.873  -1.613  -7.940  1.00504.72           C  
ATOM    104  HA1 GLY A   8       7.959  -0.555  -7.751  1.00789.43           H  
ATOM    105  HA2 GLY A   8       8.860  -2.025  -8.097  1.00718.85           H  
ATOM    106  C   GLY A   8       7.238  -2.287  -6.723  1.00378.49           C  
ATOM    107  O   GLY A   8       7.817  -2.289  -5.637  1.00629.57           O  
ATOM    108  N   CYS A   9       6.050  -2.864  -6.908  1.00239.33           N  
ATOM    109  HN  CYS A   9       5.630  -2.841  -7.791  1.00295.99           H  
ATOM    110  CA  CYS A   9       5.366  -3.540  -5.813  1.00244.96           C  
ATOM    111  HA  CYS A   9       5.765  -3.183  -4.876  1.00363.60           H  
ATOM    112  HB1 CYS A   9       3.311  -4.156  -5.879  1.00374.21           H  
ATOM    113  HB2 CYS A   9       3.646  -2.659  -6.749  1.00407.78           H  
ATOM    114  CB  CYS A   9       3.869  -3.231  -5.861  1.00233.55           C  
ATOM    115  SG  CYS A   9       3.406  -2.277  -4.396  1.00243.61           S  
ATOM    116  C   CYS A   9       5.578  -5.048  -5.900  1.00461.85           C  
ATOM    117  OT1 CYS A   9       6.441  -5.547  -5.195  1.00695.73           O  
ATOM    118  OT2 CYS A   9       4.877  -5.682  -6.671  1.00678.73           O  
TER   
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.