Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/data/fragments/HIS.db @ 0:bac3c274238f
Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author | marcel |
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date | Tue, 07 Jun 2011 16:43:30 -0400 |
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-1:000000000000 | 0:bac3c274238f |
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1 <node>HIS | |
2 <node>Names | |
3 <node>Histidine</node> | |
4 <node>Histidin</node> | |
5 <node>His</node> | |
6 <node>H</node> | |
7 </node> | |
8 <node>Atoms | |
9 <node>N<value>N 0.2528806 1.616447 -0.2212145</value></node> | |
10 <node>3H<value>H 0.7991534 2.328624 0.245802</value></node> | |
11 <node>CA<value>C -0.9251888 2.215651 -0.8776516</value></node> | |
12 <node>HA<value>H -0.5465931 2.966134 -1.573552</value></node> | |
13 <node>C<value>C -1.833067 2.919479 0.1419996</value></node> | |
14 <node>O<value>O -2.654072 3.735267 -0.3389743</value></node> | |
15 <node>CB<value>C -1.677425 1.144471 -1.688265</value></node> | |
16 <node>1HB<value>H -0.9314069 0.53022 -2.195623</value></node> | |
17 <node>2HB<value>H -2.228334 0.4977131 -1.00345</value></node> | |
18 <node>CG<value>C -2.625881 1.668474 -2.74672</value></node> | |
19 <node>ND1<value>N -3.385668 2.821612 -2.671887</value></node> | |
20 <node>HD1<value>H -3.38348 3.467654 -1.88095</value></node> | |
21 <node>CD2<value>C -2.893428 1.068907 -3.947961</value></node> | |
22 <node>HD2<value>H -2.46763 0.1453506 -4.317409</value></node> | |
23 <node>CE1<value>C -4.09971 2.924621 -3.807559</value></node> | |
24 <node>HE1<value>H -4.788648 3.724259 -4.045286</value></node> | |
25 <node>NE2<value>N -3.815619 1.869323 -4.597533</value></node> | |
26 <node>HE2<value>H -4.210977 1.69118 -5.511979</value></node> | |
27 <node>1H<value>H -0.05550323 0.9331897 0.4557269</value></node> | |
28 <node>2H<value>H 0.827899 1.162407 -0.9164186</value></node> | |
29 <node>OXT<value>O -1.921441 2.400639 1.276749</value></node> | |
30 </node> | |
31 <node>Bonds | |
32 <node>5<value>3H N s</value></node> | |
33 <node>6<value>CA N s</value></node> | |
34 <node>10<value>HA CA s</value></node> | |
35 <node>11<value>C CA s</value></node> | |
36 <node>14<value>O C d</value></node> | |
37 <node>15<value>CB CA s</value></node> | |
38 <node>19<value>1HB CB s</value></node> | |
39 <node>20<value>2HB CB s</value></node> | |
40 <node>21<value>CG CB s</value></node> | |
41 <node>24<value>ND1 CG a</value></node> | |
42 <node>27<value>HD1 ND1 s</value></node> | |
43 <node>28<value>CD2 CG a</value></node> | |
44 <node>31<value>HD2 CD2 s</value></node> | |
45 <node>32<value>CE1 ND1 a</value></node> | |
46 <node>35<value>HE1 CE1 s</value></node> | |
47 <node>36<value>NE2 CE1 a</value></node> | |
48 <node>37<value>NE2 CD2 a</value></node> | |
49 <node>39<value>HE2 NE2 s</value></node> | |
50 <node>40<value>1H N s</value></node> | |
51 <node>41<value>2H N s</value></node> | |
52 <node>42<value>OXT C s</value></node> | |
53 </node> | |
54 <node>Connections | |
55 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
56 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
57 </node> | |
58 <node>Properties | |
59 <node>AMINO_ACID</node> | |
60 </node> | |
61 <node>Variants | |
62 <node>Default | |
63 <node>Delete | |
64 <node>OXT</node> | |
65 <node>1H</node> | |
66 <node>2H</node> | |
67 </node> | |
68 <node>Rename | |
69 <node>3H<value>H</value></node> | |
70 </node> | |
71 </node> | |
72 <node>HIS-M | |
73 <node>Properties | |
74 <node>C_TERMINAL</node> | |
75 <node>N_TERMINAL</node> | |
76 </node> | |
77 </node> | |
78 <node>HIS-C | |
79 <node>Delete | |
80 <node>1H</node> | |
81 <node>2H</node> | |
82 </node> | |
83 <node>Rename | |
84 <node>3H<value>H</value></node> | |
85 </node> | |
86 <node>Properties | |
87 <node>C_TERMINAL</node> | |
88 </node> | |
89 </node> | |
90 <node>HIS-N | |
91 <node>Delete | |
92 <node>OXT</node> | |
93 </node> | |
94 <node>Properties | |
95 <node>N_TERMINAL</node> | |
96 </node> | |
97 </node> | |
98 </node> | |
99 </node> |