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comparison CADDSuite-1.5/data/fragments/ARG.db @ 15:ac342506cd4e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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14:55c32b55c2c2 15:ac342506cd4e
1 <node>ARG
2 <node>Names
3 <node>Arginine</node>
4 <node>Arginin</node>
5 <node>Arg</node>
6 <node>R</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N 0.04658213 1.228698 -0.008203848</value></node>
10 <node>3H<value>H 1.029144 1.468065 -0.01885969</value></node>
11 <node>CA<value>C -0.651675 1.900984 -1.120636</value></node>
12 <node>HA<value>H -0.1560273 1.589999 -2.041618</value></node>
13 <node>C<value>C -0.5384113 3.425156 -1.007164</value></node>
14 <node>O<value>O -0.4560871 4.056512 -2.083366</value></node>
15 <node>CB<value>C -2.115081 1.438444 -1.186192</value></node>
16 <node>1HB<value>H -2.126043 0.3475202 -1.20068</value></node>
17 <node>2HB<value>H -2.643967 1.778842 -0.2945162</value></node>
18 <node>CG<value>C -2.829752 1.953359 -2.443151</value></node>
19 <node>1HG<value>H -2.889884 3.042607 -2.412891</value></node>
20 <node>2HG<value>H -2.25911 1.654155 -3.324525</value></node>
21 <node>CD<value>C -4.246704 1.376451 -2.533151</value></node>
22 <node>1HD<value>H -4.174877 0.2870844 -2.574071</value></node>
23 <node>2HD<value>H -4.797596 1.672022 -1.637285</value></node>
24 <node>NE<value>N -4.940577 1.875193 -3.731703</value></node>
25 <node>HE<value>H -4.414851 2.512341 -4.314554</value></node>
26 <node>CZ<value>C -6.193176 1.546153 -4.088384</value></node>
27 <node>NH1<value>N -6.900425 0.7030471 -3.327994</value></node>
28 <node>1HH1<value>H -6.480561 0.3232263 -2.492691</value></node>
29 <node>2HH1<value>H -7.843661 0.4323652 -3.563007</value></node>
30 <node>NH2<value>N -6.730267 2.060851 -5.200565</value></node>
31 <node>1HH2<value>H -6.201764 2.698435 -5.778988</value></node>
32 <node>2HH2<value>H -7.669785 1.826959 -5.486362</value></node>
33 <node>OXT<value>O -0.796168 3.930999 0.1074273</value></node>
34 <node>1H<value>H -0.3621705 1.521632 0.867786</value></node>
35 <node>2H<value>H -0.05222332 0.2284002 -0.1067282</value></node>
36 </node>
37 <node>Bonds
38 <node>5<value>3H N s</value></node>
39 <node>6<value>CA N s</value></node>
40 <node>10<value>HA CA s</value></node>
41 <node>11<value>C CA s</value></node>
42 <node>14<value>O C d</value></node>
43 <node>15<value>CB CA s</value></node>
44 <node>19<value>1HB CB s</value></node>
45 <node>20<value>2HB CB s</value></node>
46 <node>21<value>CG CB s</value></node>
47 <node>25<value>1HG CG s</value></node>
48 <node>26<value>2HG CG s</value></node>
49 <node>27<value>CD CG s</value></node>
50 <node>31<value>1HD CD s</value></node>
51 <node>32<value>2HD CD s</value></node>
52 <node>33<value>NE CD s</value></node>
53 <node>36<value>HE NE s</value></node>
54 <node>37<value>CZ NE s</value></node>
55 <node>40<value>NH1 CZ a</value></node>
56 <node>43<value>1HH1 NH1 s</value></node>
57 <node>44<value>2HH1 NH1 s</value></node>
58 <node>45<value>NH2 CZ a</value></node>
59 <node>48<value>1HH2 NH2 s</value></node>
60 <node>49<value>2HH2 NH2 s</value></node>
61 <node>50<value>OXT C s</value></node>
62 <node>51<value>1H N s</value></node>
63 <node>52<value>2H N s</value></node>
64 </node>
65 <node>Connections
66 <node>N-term<value>N C-term s 1.33 0.5</value></node>
67 <node>C-term<value>C N-term s 1.33 0.5</value></node>
68 </node>
69 <node>Properties
70 <node>AMINO_ACID</node>
71 </node>
72 <node>Variants
73 <node>Default
74 <node>Delete
75 <node>OXT</node>
76 <node>1H</node>
77 <node>2H</node>
78 </node>
79 <node>Rename
80 <node>3H<value>H</value></node>
81 </node>
82 </node>
83 <node>ARG-M
84 <node>Properties
85 <node>C_TERMINAL</node>
86 <node>N_TERMINAL</node>
87 </node>
88 </node>
89 <node>ARG-C
90 <node>Delete
91 <node>1H</node>
92 <node>2H</node>
93 </node>
94 <node>Rename
95 <node>3H<value>H</value></node>
96 </node>
97 <node>Properties
98 <node>C_TERMINAL</node>
99 </node>
100 </node>
101 <node>ARG-N
102 <node>Delete
103 <node>OXT</node>
104 </node>
105 <node>Properties
106 <node>N_TERMINAL</node>
107 </node>
108 </node>
109 </node>
110 </node>