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comparison CADDSuite-1.1/data/fragments/GLU.db @ 6:decca54699e3

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:07:03 -0500
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5:e30a41af9d2b 6:decca54699e3
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>