Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite-1.6/data/fragments/GLU.db @ 17:25a03362403c draft
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| author | marcel |
|---|---|
| date | Sat, 15 Dec 2012 13:10:41 -0500 |
| parents | |
| children |
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| 16:1a24aef40d01 | 17:25a03362403c |
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| 1 <node>GLU | |
| 2 <node>Names | |
| 3 <node>Glutamate</node> | |
| 4 <node>Glutamat</node> | |
| 5 <node>Glu</node> | |
| 6 <node>Q</node> | |
| 7 </node> | |
| 8 <node>Atoms | |
| 9 <node>N<value>N 0.09036078 1.20944 -0.09877955</value></node> | |
| 10 <node>3H<value>H 0.992178 1.663159 -0.02552702</value></node> | |
| 11 <node>CA<value>C -0.6644503 1.887128 -1.167784</value></node> | |
| 12 <node>HA<value>H -0.1401839 1.690991 -2.10393</value></node> | |
| 13 <node>C<value>C -0.6415405 3.403009 -0.9416856</value></node> | |
| 14 <node>O<value>O 0.5018099 3.910433 -0.8834405</value></node> | |
| 15 <node>CB<value>C -2.078524 1.299661 -1.288965</value></node> | |
| 16 <node>1HB<value>H -2.006071 0.2127525 -1.352877</value></node> | |
| 17 <node>2HB<value>H -2.670931 1.54428 -0.4052964</value></node> | |
| 18 <node>CG<value>C -2.807634 1.790975 -2.546677</value></node> | |
| 19 <node>1HG<value>H -2.881274 2.877187 -2.559357</value></node> | |
| 20 <node>2HG<value>H -2.268831 1.463546 -3.436255</value></node> | |
| 21 <node>CD<value>C -4.223983 1.236637 -2.597517</value></node> | |
| 22 <node>OE1<value>O -5.044554 1.733033 -1.797006</value></node> | |
| 23 <node>OE2<value>O -4.450723 0.3260741 -3.421581</value></node> | |
| 24 <node>1H<value>H -0.4043283 1.301303 0.7769806</value></node> | |
| 25 <node>2H<value>H 0.2085563 0.2320959 -0.3244812</value></node> | |
| 26 <node>OXT<value>O -1.674247 3.928742 -0.470977</value></node> | |
| 27 </node> | |
| 28 <node>Bonds | |
| 29 <node>5<value>3H N s</value></node> | |
| 30 <node>6<value>CA N s</value></node> | |
| 31 <node>10<value>HA CA s</value></node> | |
| 32 <node>11<value>C CA s</value></node> | |
| 33 <node>14<value>O C d</value></node> | |
| 34 <node>15<value>CB CA s</value></node> | |
| 35 <node>19<value>1HB CB s</value></node> | |
| 36 <node>20<value>2HB CB s</value></node> | |
| 37 <node>21<value>CG CB s</value></node> | |
| 38 <node>25<value>1HG CG s</value></node> | |
| 39 <node>26<value>2HG CG s</value></node> | |
| 40 <node>27<value>CD CG s</value></node> | |
| 41 <node>30<value>OE1 CD a</value></node> | |
| 42 <node>31<value>OE2 CD a</value></node> | |
| 43 <node>32<value>1H N s</value></node> | |
| 44 <node>33<value>2H N s</value></node> | |
| 45 <node>34<value>OXT C s</value></node> | |
| 46 </node> | |
| 47 <node>Connections | |
| 48 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
| 49 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
| 50 </node> | |
| 51 <node>Properties | |
| 52 <node>AMINO_ACID</node> | |
| 53 </node> | |
| 54 <node>Variants | |
| 55 <node>Default | |
| 56 <node>Delete | |
| 57 <node>OXT</node> | |
| 58 <node>1H</node> | |
| 59 <node>2H</node> | |
| 60 </node> | |
| 61 <node>Rename | |
| 62 <node>3H<value>H</value></node> | |
| 63 </node> | |
| 64 </node> | |
| 65 <node>GLU-M | |
| 66 <node>Properties | |
| 67 <node>C_TERMINAL</node> | |
| 68 <node>N_TERMINAL</node> | |
| 69 </node> | |
| 70 </node> | |
| 71 <node>GLU-C | |
| 72 <node>Delete | |
| 73 <node>1H</node> | |
| 74 <node>2H</node> | |
| 75 </node> | |
| 76 <node>Rename | |
| 77 <node>3H<value>H</value></node> | |
| 78 </node> | |
| 79 <node>Properties | |
| 80 <node>C_TERMINAL</node> | |
| 81 </node> | |
| 82 </node> | |
| 83 <node>GLU-N | |
| 84 <node>Delete | |
| 85 <node>OXT</node> | |
| 86 </node> | |
| 87 <node>Properties | |
| 88 <node>N_TERMINAL</node> | |
| 89 </node> | |
| 90 </node> | |
| 91 </node> | |
| 92 </node> |