Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.5/data/fragments/ASP.db @ 7:bfab27640f5e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:13:59 -0400 |
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6:decca54699e3 | 7:bfab27640f5e |
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1 <node>ASP | |
2 <node>Names | |
3 <node>Aspartate</node> | |
4 <node>Aspartat</node> | |
5 <node>Asp</node> | |
6 <node>D</node> | |
7 </node> | |
8 <node>Atoms | |
9 <node>N<value>N 0.1006113 1.231053 -0.1065504</value></node> | |
10 <node>3H<value>H 0.7826706 1.919109 0.1901606</value></node> | |
11 <node>CA<value>C -0.6776782 1.854581 -1.196471</value></node> | |
12 <node>HA<value>H -0.140641 1.67647 -2.129506</value></node> | |
13 <node>C<value>C -0.7684437 3.377808 -1.00658</value></node> | |
14 <node>O<value>O -0.1755398 3.814352 0.008837678</value></node> | |
15 <node>CB<value>C -2.059715 1.201639 -1.304611</value></node> | |
16 <node>1HB<value>H -1.947421 0.1437317 -1.541582</value></node> | |
17 <node>2HB<value>H -2.583309 1.296861 -0.3531539</value></node> | |
18 <node>CG<value>C -2.895658 1.868856 -2.384729</value></node> | |
19 <node>OD1<value>O -2.861295 1.365629 -3.526181</value></node> | |
20 <node>OD2<value>O -3.508188 2.905267 -2.052321</value></node> | |
21 <node>OXT<value>O -0.9198192 4.048685 -2.051676</value></node> | |
22 <node>1H<value>H -0.5109496 1.02733 0.6709606</value></node> | |
23 <node>2H<value>H 0.5472904 0.3836241 -0.4264945</value></node> | |
24 </node> | |
25 <node>Bonds | |
26 <node>5<value>3H N s</value></node> | |
27 <node>6<value>CA N s</value></node> | |
28 <node>10<value>HA CA s</value></node> | |
29 <node>11<value>C CA s</value></node> | |
30 <node>14<value>O C d</value></node> | |
31 <node>15<value>CB CA s</value></node> | |
32 <node>19<value>1HB CB s</value></node> | |
33 <node>20<value>2HB CB s</value></node> | |
34 <node>21<value>CG CB s</value></node> | |
35 <node>24<value>OD1 CG a</value></node> | |
36 <node>25<value>OD2 CG a</value></node> | |
37 <node>26<value>OXT C s</value></node> | |
38 <node>27<value>1H N s</value></node> | |
39 <node>28<value>2H N s</value></node> | |
40 </node> | |
41 <node>Connections | |
42 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
43 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
44 </node> | |
45 <node>Properties | |
46 <node>AMINO_ACID</node> | |
47 </node> | |
48 <node>Variants | |
49 <node>Default | |
50 <node>Delete | |
51 <node>OXT</node> | |
52 <node>1H</node> | |
53 <node>2H</node> | |
54 </node> | |
55 <node>Rename | |
56 <node>3H<value>H</value></node> | |
57 </node> | |
58 </node> | |
59 <node>ASP-M | |
60 <node>Properties | |
61 <node>N_TERMINAL</node> | |
62 <node>C_TERMINAL</node> | |
63 </node> | |
64 </node> | |
65 <node>ASP-N | |
66 <node>Delete | |
67 <node>OXT</node> | |
68 </node> | |
69 <node>Properties | |
70 <node>N_TERMINAL</node> | |
71 </node> | |
72 </node> | |
73 <node>ASP-C | |
74 <node>Delete | |
75 <node>1H</node> | |
76 <node>2H</node> | |
77 </node> | |
78 <node>Rename | |
79 <node>3H<value>H</value></node> | |
80 </node> | |
81 <node>Properties | |
82 <node>C_TERMINAL</node> | |
83 </node> | |
84 </node> | |
85 </node> | |
86 </node> |