NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
620023 5ogu 34163 cing 1-original 1 unknown unknown


# Restraints file 1: Spm.tab
REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table
REMARK  Prediction Summary for Chemical Shift Input Spm2.tab
REMARK 
REMARK  PHI is the predicted torsion angle C(i-1) N(i)  CA(i) C(i)   (degrees).
REMARK  PSI is the predicted torsion angle N(i)   CA(i) C(i)  N(i+1) (degrees).
REMARK 
REMARK  DPHI and DPSI are the estimated standard deviations of the
REMARK  prediction errors in PHI and PSI (degrees).
REMARK 
REMARK  DIST is the TALOS+ database matching score.
REMARK 
REMARK  S2 is the Wishart RCI chemical shift order parameter,
REMARK  JACS, 127(43), 14970-14971.
REMARK 
REMARK  COUNT is the number of database triplets used to form
REMARK  the torsion angle predictions.
REMARK 
REMARK  CLASS is the classification of the prediction result:
REMARK    None: no torsion prediction was made.
REMARK 
REMARK    Good: majority consensus in database matches;
REMARK          prediction is likely to be good.
REMARK 
REMARK    Warn: no consensus in database matches, do not use prediction.
REMARK 
REMARK    Dyn:  RCI S2 value indicates that residue has dynamic conformation.
REMARK 
REMARK Reference:
REMARK  Y. Shen, F. Delaglio, G. Cornilescu, and A. Bax:
REMARK  TALOS plus: A hybrid method for predicting protein
REMARK  torsion angles from NMR chemical shifts.
REMARK  J. Biomol. NMR 44, 213-223 (2009).
REMARK 
REMARK  TALOS+ Version 3.80F1 Rev 2012.080.14.41 TALOS_INFO

DATA FIRST_RESID 1
DATA SEQUENCE GHMSKKELAAQIAEKFTDVLSKTHAEEITNFVFDHIKKALVAGKEVSIAGFGKFA
DATA SEQUENCE VTERAARDGRNPSTGETIKIPASKSAKFKAGKQLKTDLNNN

VARS   RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS 
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s

   6 K 9999.000 9999.000    0.000    0.000    0.000 0.000  0 10 None
   7 E  -64.348  -44.465    2.887    6.075   25.678 0.885 10 15 Good
   8 L  -69.784  -37.417   15.264   17.240   26.003 0.887 10 14 Good
   9 A  -59.741  -40.710    3.317   10.627   26.431 0.891 10 14 Good
  10 A  -67.297  -38.154   12.391    9.034   25.481 0.894 10 14 Good
  11 Q  -63.381  -43.035    8.058    9.186   24.805 0.900 10 15 Good
  12 I  -63.984  -43.585    4.687    6.774   24.690 0.908 10 15 Good
  13 A  -61.443  -39.098    6.451    7.331   26.385 0.906 10 15 Good
  14 E  -65.648  -36.230    5.974   15.441   28.578 0.883 10 15 Good
  15 K  -74.448  -27.688   10.917    7.841   33.599 0.842 10 15 Good
  16 F  -91.328   -5.928   17.142   21.254   39.761 0.826 10 14 Good
  17 T  -63.987  -33.215    7.409   10.358   51.417 0.817 10 14 Good
  18 D   57.215   34.359    2.378    7.565   95.980 0.842  6 14 Warn
  19 V  -98.903   -9.795   11.755   19.141   52.589 0.843 10 15 Good
  20 L -121.900  140.225   22.687   19.549   39.857 0.872 10 15 Good
  21 S  -84.726  164.474   13.945   12.359   40.580 0.881 10 14 Good
  22 K  -59.972  -40.288    3.364    4.726   40.131 0.909 10 13 Good
  23 T  -61.872  -43.205    4.592    3.749   34.388 0.915 10 13 Good
  24 H  -65.593  -42.859    4.300    4.550   27.662 0.924 10 14 Good
  25 A  -64.616  -38.954    7.054    6.399   26.271 0.924 10 15 Good
  26 E  -68.213  -36.091    6.093    4.043   24.220 0.920 10 15 Good
  27 E  -67.425  -39.856    7.105    8.123   26.275 0.917 10 15 Good
  28 I  -69.495  -36.224   15.025   18.303   27.275 0.916 10 15 Good
  29 T  -63.865  -42.804    4.905    9.595   27.521 0.917 10 15 Good
  30 N  -59.935  -43.743    9.011    7.115   25.119 0.913 10 15 Good
  31 F  -70.950  -39.756   17.171   12.424   24.245 0.912 10 15 Good
  32 V  -63.403  -40.495    4.925    2.696   26.411 0.917 10 14 Good
  33 F  -62.981  -37.259    8.908    7.129   26.619 0.927 10 14 Good
  34 D  -65.404  -43.061    4.293    4.835   26.114 0.928 10 14 Good
  35 H  -60.225  -42.404    4.952    6.489   33.881 0.924 10 14 Good
  36 I  -65.897  -39.720    8.533    8.261   45.928 0.909 10 13 Good
  37 K  -62.010  -35.413    7.420   11.464   52.978 0.900 10 12 Good
  38 K  -65.911  -36.762    7.317    8.649   33.839 0.884 10 13 Good
  39 A  -61.389  -41.743    6.295    5.050   27.343 0.866 10 14 Good
  40 L  -65.949  -38.131    6.688   12.970   32.313 0.831 10 13 Good
  41 V  -65.685  -35.741    6.683   10.828   41.645 0.773 10 11 Good
  42 A  -89.768  -13.976   22.584   17.888   49.878 0.703 10  9 Good
  43 G  -77.775  144.282   69.555   40.415   48.721 0.614  6 10 Warn
  44 K  -92.581   -7.066   35.082   35.017   93.866 0.577  5  7 Dyn
  45 E 9999.000 9999.000    0.000    0.000    0.000 0.000  0  4 None
  46 V 9999.000 9999.000    0.000    0.000    0.000 0.000  0  0 None
  47 S 9999.000 9999.000    0.000    0.000    0.000 0.000  0  0 None
  48 I 9999.000 9999.000    0.000    0.000    0.000 0.000  0  0 None
  49 A 9999.000 9999.000    0.000    0.000    0.000 0.000  0  0 None
  50 G 9999.000 9999.000    0.000    0.000    0.000 0.000  0  4 None
  51 F  -62.608  -31.057    8.615   34.163   80.355 0.717  9  7 Warn
  52 G  -84.500  -17.118   16.934   27.877   64.518 0.759 10 10 Good
  53 K -135.625  152.048   20.423   14.389   54.608 0.844 10  9 Good
  54 F -127.516  145.056   20.538   11.429   43.629 0.884 10 11 Good
  55 A -133.228  142.756   18.494    9.225   39.741 0.902 10 12 Good
  56 V -106.619  127.543   26.914   10.037   42.530 0.906 10 12 Good
  57 T -132.629  147.546   13.524   11.569   49.158 0.909 10 10 Good
  58 E -135.464  152.967   22.251   11.932   51.270 0.883 10  9 Good
  59 R -126.482  142.559   23.210    9.245   48.311 0.818 10  9 Good
  60 A  -92.584  138.975   52.884   39.677   51.880 0.764 10  9 Warn
  61 A -101.771  133.599   28.036   16.834   56.227 0.735 10  9 Good
  62 R -128.114  150.680   22.234   28.698   50.445 0.748 10  9 Good
  63 D  -92.039  151.928   57.552   43.184   50.597 0.694 10  9 Warn
  64 G  -97.070  148.303   31.894   32.652  110.921 0.673 10  6 Good
  65 R 9999.000 9999.000    0.000    0.000    0.000 0.000  0  3 None
  66 N 9999.000 9999.000    0.000    0.000    0.000 0.000  0  0 None
  67 P 9999.000 9999.000    0.000    0.000    0.000 0.000  0  3 None
  68 S  -70.193  -30.572   13.317   18.725   98.407 0.714 10  6 Good
  69 T  -99.724    2.824   11.715   17.332   58.383 0.658 10  9 Good
  70 G   95.439   -3.933   16.163   12.859   45.960 0.599 10 10 Dyn
  71 E  -83.510  141.887   16.401   15.419   38.984 0.599 10 11 Dyn
  72 T  -87.937  129.955   58.468   19.621   42.475 0.667 10 13 Warn
  73 I -128.623  149.717   14.660    6.353   37.993 0.762 10 13 Good
  74 K  -99.522  123.298   23.120   11.258   45.538 0.794 10 13 Good
  75 I  -99.350  126.569   21.933   11.928   90.944 0.796 10  8 Good
  76 P  -67.858  151.265   12.797   10.986   91.218 0.700 10  8 Good
  77 A -107.672  125.262   21.415   12.615   62.440 0.675  6  8 Warn
  78 S -127.631  155.868   25.058   10.395   39.147 0.709 10 11 Good
  79 K -117.718  144.723   23.565   19.626   56.359 0.782 10 11 Good
  80 S -138.086  161.874   14.985    5.383   49.578 0.835 10 10 Good
  81 A -124.860  138.841   17.951   18.425   47.545 0.864 10 11 Good
  82 K -121.568  150.594   16.228   17.954   49.772 0.861 10 10 Good
  83 F  -86.667  135.976   24.677   51.996   50.923 0.842 10 11 Warn
  84 K  -71.399  -21.023   26.382   20.698   54.312 0.820  6 11 Warn
  85 A  -64.956  -34.807   14.882   17.610  107.959 0.811 10  8 Good
  86 G 9999.000 9999.000    0.000    0.000    0.000 0.000  0  4 None
  87 K 9999.000 9999.000    0.000    0.000    0.000 0.000  0  3 None
  88 Q  -60.937  -41.482    4.820    8.622   79.369 0.866 10  6 Good
  89 L  -63.608  -43.913    3.611    4.305   47.459 0.881 10  9 Good
  90 K  -61.020  -38.338    2.643    8.892   45.294 0.916 10 10 Good
  91 T  -67.022  -41.138    9.178    6.483   42.876 0.914 10 11 Good
  92 D  -62.298  -34.520    6.616    8.758   42.231 0.890 10 12 Good
  93 L  -72.828  -32.282   12.102    8.736   43.164 0.776 10 12 Good
  94 N  -92.057  -22.214   15.870   19.293   52.536 0.669 10 11 Good
  95 N -101.992    0.863   20.397   26.750   51.581 0.585  8 10 Dyn
  96 N 9999.000 9999.000    0.000    0.000    0.000 0.000  0  6 None


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