Mercurial > repos > marcel > caddsuite_linux_x86_64

annotate CADDSuite-1.5/data/fragments/GLN.db @ 16:1a24aef40d01 draft

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author marcel
date Tue, 24 Jul 2012 11:10:07 -0400
parents ac342506cd4e
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15
ac342506cd4e CADDSuite version 1.5
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1 <node>GLN
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2 <node>Names
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3 <node>Glutamine</node>
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4 <node>Glutamin</node>
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5 <node>Gln</node>
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6 <node>Q</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N -1.694353 -0.2940789 3.487573</value></node>
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10 <node>3H<value>H -1.993324 -0.7771879 2.60663</value></node>
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11 <node>CA<value>C -1.339968 1.106833 3.061471</value></node>
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12 <node>HA<value>H -2.035373 1.840381 3.535663</value></node>
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13 <node>C<value>C -1.613526 1.110178 1.459362</value></node>
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14 <node>O<value>O -1.452083 2.138383 0.8146671</value></node>
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15 <node>CB<value>C 0.1053884 1.466314 3.38408</value></node>
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16 <node>2HB<value>H 0.4078564 1.068117 4.376333</value></node>
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17 <node>1HB<value>H 0.7844938 0.9955081 2.644168</value></node>
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18 <node>CG<value>C 0.2953307 2.976142 3.377398</value></node>
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19 <node>2HG<value>H -0.08479181 3.405704 2.425381</value></node>
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20 <node>1HG<value>H -0.3113416 3.443596 4.179154</value></node>
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21 <node>CD<value>C 1.757013 3.318817 3.588054</value></node>
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22 <node>OE1<value>O 2.263759 3.493683 4.689262</value></node>
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23 <node>NE2<value>N 2.607646 3.349533 2.459146</value></node>
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24 <node>2HE2<value>H 3.553186 3.659591 2.602335</value></node>
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25 <node>1HE2<value>H 2.182977 3.3032491 1.543895</value></node>
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26 <node>OXT<value>O -2.00241 -0.02523248 1.056456</value></node>
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27 <node>2H<value>H -2.440811 -0.2844597 4.149324</value></node>
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28 <node>1H<value>H -0.9086809 -0.7656706 3.887856</value></node>
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29 </node>
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30 <node>Bonds
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31 <node>1<value>3H N s</value></node>
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32 <node>2<value>CA N s</value></node>
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33 <node>3<value>HA CA s</value></node>
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34 <node>4<value>C CA s</value></node>
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35 <node>5<value>O C d</value></node>
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36 <node>6<value>CB CA s</value></node>
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37 <node>7<value>2HB CB s</value></node>
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38 <node>8<value>1HB CB s</value></node>
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39 <node>9<value>CG CB s</value></node>
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40 <node>10<value>2HG CG s</value></node>
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41 <node>11<value>1HG CG s</value></node>
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42 <node>12<value>CD CG s</value></node>
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43 <node>13<value>OE1 CD d</value></node>
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44 <node>14<value>NE2 CD s</value></node>
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45 <node>15<value>2HE2 NE2 s</value></node>
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46 <node>16<value>1HE2 NE2 s</value></node>
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47 <node>17<value>OXT C s</value></node>
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48 <node>18<value>2H N s</value></node>
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49 <node>19<value>1H N s</value></node>
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50 </node>
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51 <node>Connections
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52 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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53 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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54 </node>
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55 <node>Properties
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56 <node>AMINO_ACID</node>
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57 </node>
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58 <node>Variants
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59 <node>Default
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60 <node>Delete
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61 <node>OXT</node>
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62 <node>1H</node>
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63 <node>2H</node>
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64 </node>
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65 <node>Rename
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66 <node>3H<value>H</value></node>
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67 </node>
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68 </node>
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69 <node>GLN-M
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70 <node>Properties
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71 <node>C_TERMINAL</node>
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72 <node>N_TERMINAL</node>
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73 </node>
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74 </node>
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75 <node>GLN-C
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76 <node>Delete
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77 <node>1H</node>
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78 <node>2H</node>
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79 </node>
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80 <node>Rename
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81 <node>3H<value>H</value></node>
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82 </node>
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83 <node>Properties
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84 <node>C_TERMINAL</node>
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85 </node>
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86 </node>
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87 <node>GLN-N
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88 <node>Delete
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89 <node>OXT</node>
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90 </node>
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91 <node>Properties
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92 <node>N_TERMINAL</node>
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93 </node>
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94 </node>
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95 </node>
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96 </node>