Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite-1.0.1/data/fragments/GLN.db @ 9:2cff9609f2c7

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author marcel
date Tue, 15 Nov 2011 10:40:26 -0500
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8:9ab6da6cd36c 9:2cff9609f2c7
1 <node>GLN
2 <node>Names
3 <node>Glutamine</node>
4 <node>Glutamin</node>
5 <node>Gln</node>
6 <node>Q</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N -1.694353 -0.2940789 3.487573</value></node>
10 <node>3H<value>H -1.993324 -0.7771879 2.60663</value></node>
11 <node>CA<value>C -1.339968 1.106833 3.061471</value></node>
12 <node>HA<value>H -2.035373 1.840381 3.535663</value></node>
13 <node>C<value>C -1.613526 1.110178 1.459362</value></node>
14 <node>O<value>O -1.452083 2.138383 0.8146671</value></node>
15 <node>CB<value>C 0.1053884 1.466314 3.38408</value></node>
16 <node>2HB<value>H 0.4078564 1.068117 4.376333</value></node>
17 <node>1HB<value>H 0.7844938 0.9955081 2.644168</value></node>
18 <node>CG<value>C 0.2953307 2.976142 3.377398</value></node>
19 <node>2HG<value>H -0.08479181 3.405704 2.425381</value></node>
20 <node>1HG<value>H -0.3113416 3.443596 4.179154</value></node>
21 <node>CD<value>C 1.757013 3.318817 3.588054</value></node>
22 <node>OE1<value>O 2.263759 3.493683 4.689262</value></node>
23 <node>NE2<value>N 2.607646 3.349533 2.459146</value></node>
24 <node>2HE2<value>H 3.553186 3.659591 2.602335</value></node>
25 <node>1HE2<value>H 2.182977 3.3032491 1.543895</value></node>
26 <node>OXT<value>O -2.00241 -0.02523248 1.056456</value></node>
27 <node>2H<value>H -2.440811 -0.2844597 4.149324</value></node>
28 <node>1H<value>H -0.9086809 -0.7656706 3.887856</value></node>
29 </node>
30 <node>Bonds
31 <node>1<value>3H N s</value></node>
32 <node>2<value>CA N s</value></node>
33 <node>3<value>HA CA s</value></node>
34 <node>4<value>C CA s</value></node>
35 <node>5<value>O C d</value></node>
36 <node>6<value>CB CA s</value></node>
37 <node>7<value>2HB CB s</value></node>
38 <node>8<value>1HB CB s</value></node>
39 <node>9<value>CG CB s</value></node>
40 <node>10<value>2HG CG s</value></node>
41 <node>11<value>1HG CG s</value></node>
42 <node>12<value>CD CG s</value></node>
43 <node>13<value>OE1 CD d</value></node>
44 <node>14<value>NE2 CD s</value></node>
45 <node>15<value>2HE2 NE2 s</value></node>
46 <node>16<value>1HE2 NE2 s</value></node>
47 <node>17<value>OXT C s</value></node>
48 <node>18<value>2H N s</value></node>
49 <node>19<value>1H N s</value></node>
50 </node>
51 <node>Connections
52 <node>N-term<value>N C-term s 1.33 0.5</value></node>
53 <node>C-term<value>C N-term s 1.33 0.5</value></node>
54 </node>
55 <node>Properties
56 <node>AMINO_ACID</node>
57 </node>
58 <node>Variants
59 <node>Default
60 <node>Delete
61 <node>OXT</node>
62 <node>1H</node>
63 <node>2H</node>
64 </node>
65 <node>Rename
66 <node>3H<value>H</value></node>
67 </node>
68 </node>
69 <node>GLN-M
70 <node>Properties
71 <node>C_TERMINAL</node>
72 <node>N_TERMINAL</node>
73 </node>
74 </node>
75 <node>GLN-C
76 <node>Delete
77 <node>1H</node>
78 <node>2H</node>
79 </node>
80 <node>Rename
81 <node>3H<value>H</value></node>
82 </node>
83 <node>Properties
84 <node>C_TERMINAL</node>
85 </node>
86 </node>
87 <node>GLN-N
88 <node>Delete
89 <node>OXT</node>
90 </node>
91 <node>Properties
92 <node>N_TERMINAL</node>
93 </node>
94 </node>
95 </node>
96 </node>