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annotate CADDSuite-1.5/data/fragments/MSE.db @ 15:ac342506cd4e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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1 <node>MSE
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2 <node>Names
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3 <node>Selenomethionine</node>
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4 <node>Selenomethionin</node>
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5 <node>Mse</node>
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6 </node>
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7 <node>Atoms
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8 <node>N<value>N 0.0654056 1.215812 -0.06949145</value></node>
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9 <node>3H<value>H 0.9974914 1.608735 -0.04203663</value></node>
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10 <node>CA<value>C -0.6988745 1.893029 -1.131979</value></node>
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11 <node>HA<value>H -0.1911148 1.68141 -2.074138</value></node>
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12 <node>C<value>C -0.6694928 3.410054 -0.9194202</value></node>
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13 <node>O<value>O 0.4107355 3.973423 -1.201833</value></node>
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14 <node>CB<value>C -2.121216 1.317703 -1.225039</value></node>
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15 <node>1HB<value>H -2.050125 0.2325057 -1.312704</value></node>
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16 <node>2HB<value>H -2.682049 1.549083 -0.318349</value></node>
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17 <node>CG<value>C -2.887041 1.8377 -2.448318</value></node>
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18 <node>1HG<value>H -2.99595 2.919347 -2.383954</value></node>
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19 <node>2HG<value>H -2.322049 1.593525 -3.347709</value></node>
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20 <node>SE<value>Se -4.546617 1.137771 -2.634913</value></node>
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21 <node>CE<value>C -5.081393 1.965263 -4.148402</value></node>
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22 <node>1HE<value>H -6.08969 1.634787 -4.393987</value></node>
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23 <node>2HE<value>H -5.078839 3.043304 -3.993342</value></node>
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24 <node>3HE<value>H -4.404794 1.706412 -4.961773</value></node>
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25 <node>OXT<value>O -1.565656 3.902471 -0.1992161</value></node>
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26 <node>1H<value>H -0.3889995 1.363342 0.8203897</value></node>
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27 <node>2H<value>H 0.1172404 0.226119 -0.264187</value></node>
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28 </node>
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29 <node>Bonds
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30 <node>5<value>3H N s</value></node>
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31 <node>6<value>CA N s</value></node>
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32 <node>10<value>HA CA s</value></node>
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33 <node>11<value>C CA s</value></node>
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34 <node>14<value>O C d</value></node>
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35 <node>15<value>CB CA s</value></node>
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36 <node>19<value>1HB CB s</value></node>
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37 <node>20<value>2HB CB s</value></node>
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38 <node>21<value>CG CB s</value></node>
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39 <node>25<value>1HG CG s</value></node>
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40 <node>26<value>2HG CG s</value></node>
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41 <node>27<value>SE CG s</value></node>
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42 <node>33<value>CE SE s</value></node>
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43 <node>37<value>1HE CE s</value></node>
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44 <node>38<value>2HE CE s</value></node>
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45 <node>39<value>3HE CE s</value></node>
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46 <node>40<value>OXT C s</value></node>
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47 <node>41<value>1H N s</value></node>
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48 <node>42<value>2H N s</value></node>
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49 </node>
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50 <node>Connections
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51 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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52 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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53 </node>
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54 <node>Properties
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55 <node>AMINO_ACID</node>
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56 </node>
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57 <node>Variants
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58 <node>Default
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59 <node>Delete
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60 <node>OXT</node>
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61 <node>1H</node>
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62 <node>2H</node>
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63 </node>
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64 <node>Rename
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65 <node>3H<value>H</value></node>
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66 </node>
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67 </node>
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68 <node>MET-M
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69 <node>Properties
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70 <node>N_TERMINAL</node>
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71 <node>C_TERMINAL</node>
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72 </node>
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73 </node>
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74 <node>MET-C
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75 <node>Delete
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76 <node>1H</node>
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77 <node>2H</node>
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78 </node>
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79 <node>Rename
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80 <node>3H<value>H</value></node>
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81 </node>
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82 <node>Properties
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83 <node>C_TERMINAL</node>
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84 </node>
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85 </node>
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86 <node>MET-N
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87 <node>Delete
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88 <node>OXT</node>
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89 </node>
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90 <node>Properties
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91 <node>N_TERMINAL</node>
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92 </node>
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93 </node>
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94 </node>
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95 </node>