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***  EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000  ***

elNémo ID: 24021912482947563

Job options:

ID        	=	 24021912482947563
JOBID     	=	 EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 10
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 0

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:

HEADER EXP_1Q9C_unrelaxed_rank_001_alphafold2_ptm_model_4_seed_000
MODEL     1                                                                     
ATOM      1  N   PHE A   1      -2.971  -3.523  10.227  1.00 76.50           N  
ATOM      2  CA  PHE A   1      -1.678  -2.875  10.047  1.00 76.50           C  
ATOM      3  C   PHE A   1      -0.869  -3.574   8.961  1.00 76.50           C  
ATOM      4  CB  PHE A   1      -0.891  -2.863  11.359  1.00 76.50           C  
ATOM      5  O   PHE A   1      -0.479  -4.734   9.117  1.00 76.50           O  
ATOM      6  CG  PHE A   1      -0.225  -1.546  11.656  1.00 76.50           C  
ATOM      7  CD1 PHE A   1       1.095  -1.319  11.289  1.00 76.50           C  
ATOM      8  CD2 PHE A   1      -0.920  -0.535  12.305  1.00 76.50           C  
ATOM      9  CE1 PHE A   1       1.713  -0.101  11.562  1.00 76.50           C  
ATOM     10  CE2 PHE A   1      -0.309   0.685  12.586  1.00 76.50           C  
ATOM     11  CZ  PHE A   1       1.008   0.899  12.211  1.00 76.50           C  
ATOM     12  N   HIS A   2      -1.443  -3.549   7.844  1.00 77.62           N  
ATOM     13  CA  HIS A   2      -0.800  -4.160   6.684  1.00 77.62           C  
ATOM     14  C   HIS A   2       0.376  -3.316   6.199  1.00 77.62           C  
ATOM     15  CB  HIS A   2      -1.809  -4.355   5.551  1.00 77.62           C  
ATOM     16  O   HIS A   2       0.264  -2.094   6.090  1.00 77.62           O  
ATOM     17  CG  HIS A   2      -1.695  -5.680   4.867  1.00 77.62           C  
ATOM     18  CD2 HIS A   2      -0.986  -6.062   3.779  1.00 77.62           C  
ATOM     19  ND1 HIS A   2      -2.373  -6.801   5.301  1.00 77.62           N  
ATOM     20  CE1 HIS A   2      -2.082  -7.816   4.508  1.00 77.62           C  
ATOM     21  NE2 HIS A   2      -1.242  -7.395   3.576  1.00 77.62           N  
ATOM     22  N   GLN A   3       1.490  -3.797   6.602  1.00 75.25           N  
ATOM     23  CA  GLN A   3       2.824  -3.359   6.207  1.00 75.25           C  
ATOM     24  C   GLN A   3       3.162  -3.826   4.793  1.00 75.25           C  
ATOM     25  CB  GLN A   3       3.873  -3.875   7.191  1.00 75.25           C  
ATOM     26  O   GLN A   3       3.023  -5.008   4.473  1.00 75.25           O  
ATOM     27  CG  GLN A   3       3.771  -3.254   8.578  1.00 75.25           C  
ATOM     28  CD  GLN A   3       5.090  -3.281   9.336  1.00 75.25           C  
ATOM     29  NE2 GLN A   3       5.098  -3.936  10.492  1.00 75.25           N  
ATOM     30  OE1 GLN A   3       6.090  -2.721   8.875  1.00 75.25           O  
ATOM     31  N   ASP A   4       2.953  -2.996   3.852  1.00 81.19           N  
ATOM     32  CA  ASP A   4       3.404  -3.189   2.477  1.00 81.19           C  
ATOM     33  C   ASP A   4       4.922  -3.070   2.375  1.00 81.19           C  
ATOM     34  CB  ASP A   4       2.734  -2.178   1.544  1.00 81.19           C  
ATOM     35  O   ASP A   4       5.504  -2.078   2.816  1.00 81.19           O  
ATOM     36  CG  ASP A   4       1.320  -2.574   1.157  1.00 81.19           C  
ATOM     37  OD1 ASP A   4       0.996  -3.781   1.183  1.00 81.19           O  
ATOM     38  OD2 ASP A   4       0.523  -1.670   0.823  1.00 81.19           O  
ATOM     39  N   VAL A   5       5.645  -4.035   2.812  1.00 78.19           N  
ATOM     40  CA  VAL A   5       7.094  -4.039   2.641  1.00 78.19           C  
ATOM     41  C   VAL A   5       7.438  -4.141   1.156  1.00 78.19           C  
ATOM     42  CB  VAL A   5       7.754  -5.199   3.420  1.00 78.19           C  
ATOM     43  O   VAL A   5       6.941  -5.027   0.456  1.00 78.19           O  
ATOM     44  CG1 VAL A   5       9.242  -5.281   3.107  1.00 78.19           C  
ATOM     45  CG2 VAL A   5       7.527  -5.027   4.922  1.00 78.19           C  
ATOM     46  N   GLU A   6       7.609  -3.027   0.637  1.00 80.06           N  
ATOM     47  CA  GLU A   6       8.148  -2.773  -0.696  1.00 80.06           C  
ATOM     48  C   GLU A   6       9.430  -3.562  -0.932  1.00 80.06           C  
ATOM     49  CB  GLU A   6       8.398  -1.277  -0.896  1.00 80.06           C  
ATOM     50  O   GLU A   6      10.344  -3.541  -0.100  1.00 80.06           O  
ATOM     51  CG  GLU A   6       8.328  -0.831  -2.350  1.00 80.06           C  
ATOM     52  CD  GLU A   6       8.352   0.681  -2.514  1.00 80.06           C  
ATOM     53  OE1 GLU A   6       9.438   1.241  -2.809  1.00 80.06           O  
ATOM     54  OE2 GLU A   6       7.285   1.309  -2.346  1.00 80.06           O  
ATOM     55  N   ASP A   7       9.164  -4.676  -1.383  1.00 71.69           N  
ATOM     56  CA  ASP A   7      10.281  -5.488  -1.866  1.00 71.69           C  
ATOM     57  C   ASP A   7      11.023  -4.781  -3.000  1.00 71.69           C  
ATOM     58  CB  ASP A   7       9.781  -6.855  -2.334  1.00 71.69           C  
ATOM     59  O   ASP A   7      10.438  -4.500  -4.047  1.00 71.69           O  
ATOM     60  CG  ASP A   7      10.852  -7.934  -2.258  1.00 71.69           C  
ATOM     61  OD1 ASP A   7      11.922  -7.691  -1.648  1.00 71.69           O  
ATOM     62  OD2 ASP A   7      10.633  -9.031  -2.816  1.00 71.69           O  
ATOM     63  N   ILE A   8      11.578  -3.627  -2.793  1.00 68.31           N  
ATOM     64  CA  ILE A   8      12.664  -3.205  -3.670  1.00 68.31           C  
ATOM     65  C   ILE A   8      14.008  -3.625  -3.068  1.00 68.31           C  
ATOM     66  CB  ILE A   8      12.641  -1.678  -3.906  1.00 68.31           C  
ATOM     67  O   ILE A   8      14.195  -3.574  -1.851  1.00 68.31           O  
ATOM     68  CG1 ILE A   8      11.281  -1.247  -4.469  1.00 68.31           C  
ATOM     69  CG2 ILE A   8      13.781  -1.258  -4.840  1.00 68.31           C  
ATOM     70  CD1 ILE A   8      10.992   0.238  -4.309  1.00 68.31           C  
TER      71      ALA A   1                                                      
ENDMDL                                                                          
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: April 25th, 2023.