Resonance Assignment/Abacus/Spin systems format

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Not assigned spin-systems (PB fragments) could be loaded in FMCGUI using only one, "standad", format.
Assigned chemical shifts (spin-systems) could be loaded using two different formats, standard and cyana format.
 
1. PB-fragments in standard format.
Each fragment is represented by a number of lines. The groups of lines corresponding to different fragments are separated by empty line.
The line that follow the last fragment should have 'Q' at the first position.
 
A fragment is described as follows:
<font size="2">31 X<span>    7     0.000 </span></font><div><span><font size="2">  9.025 HN    106.560  N </font></span></div><div><font size="2"><span>  5.221 HA     55.302  CA </span></font></div><div><font size="2"><span>  1.940 HB*    33.679  CB </span></font></div><div><font size="2"><span>  1.480 HG1    27.976  CG </span></font></div><div><font size="2"><span>  1.775 HG2    27.976  CG </span></font></div><div><font size="2"><span>  2.943 HD1    43.958  CD </span></font></div><div><font size="2"><span>  3.205 HD2    43.958  CD </span></font></div><div><font size="2"><span /></font></div><span><font size="2"></font></span>
 Here, the first line specify user ID, 1-letter residue type ('X' if not known), the number of the following lines (regading the fragment), and chemical shift of backbone C' atom ( should be '0.000' if it is not known).
 
The fragments user ID could be any digit number < 500. There is no restriction on the order of fragments in the input file.
 
Example1.1. Not assigned PB-fragments. 
<div><font size="2"><span> 90 X    5     0.000</span></font></div><div><font size="2"><span>   8.462 HN    122.771 N </span></font></div><div><font size="2"><span>   4.262 HA     56.242 CA </span></font></div><div><font size="2"><span>   1.880 HB1    30.528 CB </span></font></div><div><font size="2"><span>   2.006 HB2    30.528 CB </span></font></div><div><font size="2"><span>   2.222 HG*    36.201 CG </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 91 S<span>    4   174.082 </span></font></div><div><font size="2"><span>   8.089 HN    123.488 N </span></font></div><div><font size="2"><span>   4.626 HA     55.058 CA </span></font></div><div><font size="2"><span>   3.413 HB1    65.338 CB </span></font></div><div><font size="2"><span>   3.801 HB2    65.338 CB </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2">247 X<span>    5     0.000 </span></font></div><div><font size="2"><span>   8.070 HN    123.607 N </span></font></div><div><font size="2"><span>   4.034 HA     62.358 CA </span></font></div><div><font size="2"><span>   2.048 HB     32.775 CB </span></font></div><div><font size="2"><span>   0.873 HG1*   21.111 CG1 </span></font></div><div><font size="2"><span>   0.884 HG2*   20.501 CG2 </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 18 X<span>    4     0.000 </span></font></div><div><font size="2"><span>   8.110 HN    123.044 N </span></font></div><div><font size="2"><span>   5.042 HA     58.559 CA </span></font></div><div><font size="2"><span>   4.179 HB     70.135 CB </span></font></div><div><font size="2"><span>   0.087 HG2*   16.018 CG2 </span></font></div><div><font size="2">Q</font></div><font size="2"></font>
 
2. Assigned AA-fragments in standard format.
AA-fragments should be ordered in the input file according to their assignment to
protein sequence positions.
Each fragment is described as follows:
<font size="2">11 T<span>    4   174.109         106 </span></font><div><span><font size="2">   8.114 HN    113.206 N </font></span></div><div><font size="2"><span>   4.325 HA     61.900 CA </span></font></div><div><font size="2"><span>   4.283 HB     69.855 CB </span></font></div><div><font size="2"><span>   1.126 HG2*   21.639 CG2 </span></font></div>
 
Here, the first line specifies  protein sequence position to which the fragment is assigned, 1-letter amino acid type, the number of the following lines describing the fragment, chemical shift of backbone C' atom, and user ID of the fragment.The last number, user ID, is optional.
 
Example2.1. Assigned AA-fragments with user ID specified.
<div><font size="2">.........................</font></div><div><font size="2"> 10 G<span>    2   174.136         158 </span></font></div><div><font size="2"><span>   8.605 HN    110.399 N </span></font></div><div><font size="2"><span>   3.708 HA*    46.225 CA </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 11 T<span>    4   174.109         106 </span></font></div><div><font size="2"><span>   8.114 HN    113.206 N </span></font></div><div><font size="2"><span>   4.325 HA     61.900 CA </span></font></div><div><font size="2"><span>   4.283 HB     69.855 CB </span></font></div><div><font size="2"><span>   1.126 HG2*   21.639 CG2 </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 12 N<span>    1   175.100         999 </span></font></div><div><font size="2"><span>   8.231 HN    122.327 N </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 16 A<span>    2   179.269          50 </span></font></div><div><font size="2"><span>   3.224 HA     56.082 CA </span></font></div><div><font size="2"><span>   1.518 HB*    18.860 CB </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 17 D<span>    3   179.378          74 </span></font></div><div><font size="2"><span>   8.451 HN    116.577 N </span></font></div><div><font size="2"><span>   4.370 HA     57.335 CA </span></font></div><div><font size="2"><span>   2.656 HB*    39.698 CB </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 18 V<span>    5  177.276         117 </span></font></div><div><font size="2"><span>   7.579 HN    122.993 N </span></font></div><div><font size="2"><span>   3.720 HA     65.701 CA </span></font></div><div><font size="2"><span>   2.068 HB     31.930 CB </span></font></div><div><font size="2"><span>   1.160 HG1*   22.719 CG1 </span></font></div><div><font size="2"><span>   0.642 HG2*   20.806 CG2 </span></font></div><div><font size="2">..........................<span>   </span></font></div><font size="2"></font>
Example2.2. Assigned AA-fragments without user ID specified.
<div><font size="2">.........................</font></div><div><font size="2"> 10 G<span>    2   174.136          </span></font></div><div><font size="2"><span>   8.605 HN    110.399 N </span></font></div><div><font size="2"><span>   3.708 HA*    46.225 CA </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 11 T<span>    4   174.109          </span></font></div><div><font size="2"><span>   8.114 HN    113.206 N </span></font></div><div><font size="2"><span>   4.325 HA     61.900 CA </span></font></div><div><font size="2"><span>   4.283 HB     69.855 CB </span></font></div><div><font size="2"><span>   1.126 HG2*   21.639 CG2 </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 12 N<span>    1   175.100          </span></font></div><div><font size="2"><span>   8.231 HN    122.327 N </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 16 A<span>    2   179.269          </span></font></div><div><font size="2"><span>   3.224 HA     56.082 CA </span></font></div><div><font size="2"><span>   1.518 HB*    18.860 CB </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 17 D<span>    3   179.378          </span></font></div><div><font size="2"><span>   8.451 HN    116.577 N </span></font></div><div><font size="2"><span>   4.370 HA     57.335 CA </span></font></div><div><font size="2"><span>   2.656 HB*    39.698 CB </span></font></div><div><span><font size="2">    </font></span></div><div><font size="2"> 18 V<span>    5  177.276          </span></font></div><div><font size="2"><span>   7.579 HN    122.993 N </span></font></div><div><font size="2"><span>   3.720 HA     65.701 CA </span></font></div><div><font size="2"><span>   2.068 HB     31.930 CB </span></font></div><div><font size="2"><span>   1.160 HG1*   22.719 CG1 </span></font></div><div><font size="2"><span>   0.642 HG2*   20.806 CG2 </span></font></div><div><font size="2">.......................... </font></div><font size="2"></font>
 
3. CYANA chemical shift file (prot-file)
Assigned chemical shifts caould be loaded in FMCGUI and automatically transformed in a set of assigned PB-frsagments.
Example3.1. Assigned chemical shifts.
<font size="2">     1   8.414   0.000 H       1 </font><div><span><font size="2">     2 123.795   0.000 N       1 </font></span></div><div><font size="2"><span>     3   4.723   0.000 HA      1 </span></font></div><div><font size="2"><span>     4  53.298   0.000 CA      1 </span></font></div><div><font size="2"><span>     5   1.898   0.000 HB3     1 </span></font></div><div><font size="2"><span>     6  32.288   0.000 CB      1 </span></font></div><div><font size="2"><span>     7   2.030   0.000 HB2     1 </span></font></div><div><font size="2"><span>     8   2.475   0.000 HG3     1 </span></font></div><div><font size="2"><span>     9  32.024   0.000 CG      1 </span></font></div><div><font size="2"><span>    10   2.547   0.000 HG2     1 </span></font></div><div><font size="2"><span>    11 177.440   0.000 C       2 </span></font></div><div><font size="2"><span>    12   4.379   0.000 HA      2 </span></font></div><div><font size="2"><span>    13  63.455   0.000 CA      2 </span></font></div><div><font size="2"><span>    14   1.914   0.000 HB3     2 </span></font></div><div><font size="2"><span>    15  32.194   0.000 CB      2 </span></font></div><div><font size="2"><span>    16   2.268   0.000 HB2     2 </span></font></div><div><font size="2"><span>    17   1.971   0.000 HG3     2 </span></font></div><div><font size="2"><span>    18  27.313   0.000 CG      2 </span></font></div><div><font size="2"><span>    19   2.008   0.000 HG2     2 </span></font></div><div><font size="2"><span>    20   3.650   0.000 QD      2 </span></font></div><div><font size="2"><span>    21  50.670   0.000 CD      2 </span></font></div><div><font size="2"><span>    22 173.945   0.000 C       3 </span></font></div><div><font size="2"><span>    23   8.438   0.000 H       3 </span></font></div><div><font size="2"><span>    24 108.915   0.000 N       3 </span></font></div><div><font size="2"><span>    25   3.941   0.000 QA      3 </span></font></div><div><font size="2"><span>    26  45.341   0.000 CA      3 </span></font></div><div><font size="2">..................................</font></div><font size="2"></font>