Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite-1.5/data/fragments/ASP.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>ASP | |
| 2 <node>Names | |
| 3 <node>Aspartate</node> | |
| 4 <node>Aspartat</node> | |
| 5 <node>Asp</node> | |
| 6 <node>D</node> | |
| 7 </node> | |
| 8 <node>Atoms | |
| 9 <node>N<value>N 0.1006113 1.231053 -0.1065504</value></node> | |
| 10 <node>3H<value>H 0.7826706 1.919109 0.1901606</value></node> | |
| 11 <node>CA<value>C -0.6776782 1.854581 -1.196471</value></node> | |
| 12 <node>HA<value>H -0.140641 1.67647 -2.129506</value></node> | |
| 13 <node>C<value>C -0.7684437 3.377808 -1.00658</value></node> | |
| 14 <node>O<value>O -0.1755398 3.814352 0.008837678</value></node> | |
| 15 <node>CB<value>C -2.059715 1.201639 -1.304611</value></node> | |
| 16 <node>1HB<value>H -1.947421 0.1437317 -1.541582</value></node> | |
| 17 <node>2HB<value>H -2.583309 1.296861 -0.3531539</value></node> | |
| 18 <node>CG<value>C -2.895658 1.868856 -2.384729</value></node> | |
| 19 <node>OD1<value>O -2.861295 1.365629 -3.526181</value></node> | |
| 20 <node>OD2<value>O -3.508188 2.905267 -2.052321</value></node> | |
| 21 <node>OXT<value>O -0.9198192 4.048685 -2.051676</value></node> | |
| 22 <node>1H<value>H -0.5109496 1.02733 0.6709606</value></node> | |
| 23 <node>2H<value>H 0.5472904 0.3836241 -0.4264945</value></node> | |
| 24 </node> | |
| 25 <node>Bonds | |
| 26 <node>5<value>3H N s</value></node> | |
| 27 <node>6<value>CA N s</value></node> | |
| 28 <node>10<value>HA CA s</value></node> | |
| 29 <node>11<value>C CA s</value></node> | |
| 30 <node>14<value>O C d</value></node> | |
| 31 <node>15<value>CB CA s</value></node> | |
| 32 <node>19<value>1HB CB s</value></node> | |
| 33 <node>20<value>2HB CB s</value></node> | |
| 34 <node>21<value>CG CB s</value></node> | |
| 35 <node>24<value>OD1 CG a</value></node> | |
| 36 <node>25<value>OD2 CG a</value></node> | |
| 37 <node>26<value>OXT C s</value></node> | |
| 38 <node>27<value>1H N s</value></node> | |
| 39 <node>28<value>2H N s</value></node> | |
| 40 </node> | |
| 41 <node>Connections | |
| 42 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
| 43 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
| 44 </node> | |
| 45 <node>Properties | |
| 46 <node>AMINO_ACID</node> | |
| 47 </node> | |
| 48 <node>Variants | |
| 49 <node>Default | |
| 50 <node>Delete | |
| 51 <node>OXT</node> | |
| 52 <node>1H</node> | |
| 53 <node>2H</node> | |
| 54 </node> | |
| 55 <node>Rename | |
| 56 <node>3H<value>H</value></node> | |
| 57 </node> | |
| 58 </node> | |
| 59 <node>ASP-M | |
| 60 <node>Properties | |
| 61 <node>N_TERMINAL</node> | |
| 62 <node>C_TERMINAL</node> | |
| 63 </node> | |
| 64 </node> | |
| 65 <node>ASP-N | |
| 66 <node>Delete | |
| 67 <node>OXT</node> | |
| 68 </node> | |
| 69 <node>Properties | |
| 70 <node>N_TERMINAL</node> | |
| 71 </node> | |
| 72 </node> | |
| 73 <node>ASP-C | |
| 74 <node>Delete | |
| 75 <node>1H</node> | |
| 76 <node>2H</node> | |
| 77 </node> | |
| 78 <node>Rename | |
| 79 <node>3H<value>H</value></node> | |
| 80 </node> | |
| 81 <node>Properties | |
| 82 <node>C_TERMINAL</node> | |
| 83 </node> | |
| 84 </node> | |
| 85 </node> | |
| 86 </node> |