Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/data/fragments/MSE.db @ 0:bac3c274238f
Migrated tool version 0.93 from old tool shed archive to new tool shed repository
| author | marcel |
|---|---|
| date | Tue, 07 Jun 2011 16:43:30 -0400 |
| parents | |
| children |
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| -1:000000000000 | 0:bac3c274238f |
|---|---|
| 1 <node>MSE | |
| 2 <node>Names | |
| 3 <node>Selenomethionine</node> | |
| 4 <node>Selenomethionin</node> | |
| 5 <node>Mse</node> | |
| 6 </node> | |
| 7 <node>Atoms | |
| 8 <node>N<value>N 0.0654056 1.215812 -0.06949145</value></node> | |
| 9 <node>3H<value>H 0.9974914 1.608735 -0.04203663</value></node> | |
| 10 <node>CA<value>C -0.6988745 1.893029 -1.131979</value></node> | |
| 11 <node>HA<value>H -0.1911148 1.68141 -2.074138</value></node> | |
| 12 <node>C<value>C -0.6694928 3.410054 -0.9194202</value></node> | |
| 13 <node>O<value>O 0.4107355 3.973423 -1.201833</value></node> | |
| 14 <node>CB<value>C -2.121216 1.317703 -1.225039</value></node> | |
| 15 <node>1HB<value>H -2.050125 0.2325057 -1.312704</value></node> | |
| 16 <node>2HB<value>H -2.682049 1.549083 -0.318349</value></node> | |
| 17 <node>CG<value>C -2.887041 1.8377 -2.448318</value></node> | |
| 18 <node>1HG<value>H -2.99595 2.919347 -2.383954</value></node> | |
| 19 <node>2HG<value>H -2.322049 1.593525 -3.347709</value></node> | |
| 20 <node>SE<value>Se -4.546617 1.137771 -2.634913</value></node> | |
| 21 <node>CE<value>C -5.081393 1.965263 -4.148402</value></node> | |
| 22 <node>1HE<value>H -6.08969 1.634787 -4.393987</value></node> | |
| 23 <node>2HE<value>H -5.078839 3.043304 -3.993342</value></node> | |
| 24 <node>3HE<value>H -4.404794 1.706412 -4.961773</value></node> | |
| 25 <node>OXT<value>O -1.565656 3.902471 -0.1992161</value></node> | |
| 26 <node>1H<value>H -0.3889995 1.363342 0.8203897</value></node> | |
| 27 <node>2H<value>H 0.1172404 0.226119 -0.264187</value></node> | |
| 28 </node> | |
| 29 <node>Bonds | |
| 30 <node>5<value>3H N s</value></node> | |
| 31 <node>6<value>CA N s</value></node> | |
| 32 <node>10<value>HA CA s</value></node> | |
| 33 <node>11<value>C CA s</value></node> | |
| 34 <node>14<value>O C d</value></node> | |
| 35 <node>15<value>CB CA s</value></node> | |
| 36 <node>19<value>1HB CB s</value></node> | |
| 37 <node>20<value>2HB CB s</value></node> | |
| 38 <node>21<value>CG CB s</value></node> | |
| 39 <node>25<value>1HG CG s</value></node> | |
| 40 <node>26<value>2HG CG s</value></node> | |
| 41 <node>27<value>SE CG s</value></node> | |
| 42 <node>33<value>CE SE s</value></node> | |
| 43 <node>37<value>1HE CE s</value></node> | |
| 44 <node>38<value>2HE CE s</value></node> | |
| 45 <node>39<value>3HE CE s</value></node> | |
| 46 <node>40<value>OXT C s</value></node> | |
| 47 <node>41<value>1H N s</value></node> | |
| 48 <node>42<value>2H N s</value></node> | |
| 49 </node> | |
| 50 <node>Connections | |
| 51 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
| 52 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
| 53 </node> | |
| 54 <node>Properties | |
| 55 <node>AMINO_ACID</node> | |
| 56 </node> | |
| 57 <node>Variants | |
| 58 <node>Default | |
| 59 <node>Delete | |
| 60 <node>OXT</node> | |
| 61 <node>1H</node> | |
| 62 <node>2H</node> | |
| 63 </node> | |
| 64 <node>Rename | |
| 65 <node>3H<value>H</value></node> | |
| 66 </node> | |
| 67 </node> | |
| 68 <node>MET-M | |
| 69 <node>Properties | |
| 70 <node>N_TERMINAL</node> | |
| 71 <node>C_TERMINAL</node> | |
| 72 </node> | |
| 73 </node> | |
| 74 <node>MET-C | |
| 75 <node>Delete | |
| 76 <node>1H</node> | |
| 77 <node>2H</node> | |
| 78 </node> | |
| 79 <node>Rename | |
| 80 <node>3H<value>H</value></node> | |
| 81 </node> | |
| 82 <node>Properties | |
| 83 <node>C_TERMINAL</node> | |
| 84 </node> | |
| 85 </node> | |
| 86 <node>MET-N | |
| 87 <node>Delete | |
| 88 <node>OXT</node> | |
| 89 </node> | |
| 90 <node>Properties | |
| 91 <node>N_TERMINAL</node> | |
| 92 </node> | |
| 93 </node> | |
| 94 </node> | |
| 95 </node> |