Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite-1.5/data/fragments/THR.db @ 15:ac342506cd4e draft
CADDSuite version 1.5
| author | Marcel Schumann <schumann.marcel@gmail.com> |
|---|---|
| date | Tue, 24 Jul 2012 11:08:49 -0400 |
| parents | |
| children |
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| 14:55c32b55c2c2 | 15:ac342506cd4e |
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| 1 <node>THR | |
| 2 <node>Names | |
| 3 <node>Threonine</node> | |
| 4 <node>Threonin</node> | |
| 5 <node>Thr</node> | |
| 6 <node>T</node> | |
| 7 </node> | |
| 8 <node>Atoms | |
| 9 <node>N<value>N 0.07944571 1.265783 -0.06982248</value></node> | |
| 10 <node>3H<value>H 0.9103429 1.833856 0.0462634</value></node> | |
| 11 <node>CA<value>C -0.730729 1.899472 -1.127707</value></node> | |
| 12 <node>HA<value>H -0.2399387 1.69489 -2.079941</value></node> | |
| 13 <node>C<value>C -0.7224239 3.419906 -0.9435946</value></node> | |
| 14 <node>O<value>O 0.3746189 3.909003 -0.5883108</value></node> | |
| 15 <node>CB<value>C -2.153607 1.314487 -1.182294</value></node> | |
| 16 <node>HB<value>H -2.679771 1.729994 -2.044027</value></node> | |
| 17 <node>OG1<value>O -2.862524 1.651035 -0.00717756</value></node> | |
| 18 <node>HG1<value>H -3.698466 1.178201 0.002366092</value></node> | |
| 19 <node>CG2<value>C -2.126356 -0.2100642 -1.334626</value></node> | |
| 20 <node>1HG2<value>H -3.140605 -0.5875605 -1.466431</value></node> | |
| 21 <node>2HG2<value>H -1.532317 -0.4833375 -2.207111</value></node> | |
| 22 <node>3HG2<value>H -1.690858 -0.6725402 -0.448057</value></node> | |
| 23 <node>1H<value>H -0.4419178 1.260401 0.7952214</value></node> | |
| 24 <node>2H<value>H 0.324596 0.3214647 -0.3308986</value></node> | |
| 25 <node>OXT<value>O -1.661421 4.065769 -1.458723</value></node> | |
| 26 </node> | |
| 27 <node>Bonds | |
| 28 <node>5<value>3H N s</value></node> | |
| 29 <node>6<value>CA N s</value></node> | |
| 30 <node>10<value>HA CA s</value></node> | |
| 31 <node>11<value>C CA s</value></node> | |
| 32 <node>14<value>O C d</value></node> | |
| 33 <node>15<value>CB CA s</value></node> | |
| 34 <node>19<value>HB CB s</value></node> | |
| 35 <node>20<value>OG1 CB s</value></node> | |
| 36 <node>22<value>HG1 OG1 s</value></node> | |
| 37 <node>23<value>CG2 CB s</value></node> | |
| 38 <node>27<value>1HG2 CG2 s</value></node> | |
| 39 <node>28<value>2HG2 CG2 s</value></node> | |
| 40 <node>29<value>3HG2 CG2 s</value></node> | |
| 41 <node>30<value>1H N s</value></node> | |
| 42 <node>31<value>2H N s</value></node> | |
| 43 <node>32<value>OXT C s</value></node> | |
| 44 </node> | |
| 45 <node>Connections | |
| 46 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
| 47 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
| 48 </node> | |
| 49 <node>Properties | |
| 50 <node>AMINO_ACID</node> | |
| 51 </node> | |
| 52 <node>Variants | |
| 53 <node>Default | |
| 54 <node>Delete | |
| 55 <node>OXT</node> | |
| 56 <node>1H</node> | |
| 57 <node>2H</node> | |
| 58 </node> | |
| 59 <node>Rename | |
| 60 <node>3H<value>H</value></node> | |
| 61 </node> | |
| 62 </node> | |
| 63 <node>THR-M | |
| 64 <node>Properties | |
| 65 <node>C_TERMINAL</node> | |
| 66 <node>N_TERMINAL</node> | |
| 67 </node> | |
| 68 </node> | |
| 69 <node>THR-C | |
| 70 <node>Delete | |
| 71 <node>1H</node> | |
| 72 <node>2H</node> | |
| 73 </node> | |
| 74 <node>Rename | |
| 75 <node>3H<value>H</value></node> | |
| 76 </node> | |
| 77 <node>Properties | |
| 78 <node>C_TERMINAL</node> | |
| 79 </node> | |
| 80 </node> | |
| 81 <node>THR-N | |
| 82 <node>Delete | |
| 83 <node>OXT</node> | |
| 84 </node> | |
| 85 <node>Properties | |
| 86 <node>N_TERMINAL</node> | |
| 87 </node> | |
| 88 </node> | |
| 89 </node> | |
| 90 </node> |