Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite-1.0.1/data/fragments/LYS.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>LYS
2 <node>Names
3 <node>Lysine</node>
4 <node>Lysin</node>
5 <node>Lys</node>
6 <node>K</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N 0.03796386 1.172592 -0.009692425</value></node>
10 <node>3H<value>H 1.016744 1.426445 0.004398665</value></node>
11 <node>CA<value>C -0.6562778 1.887361 -1.097957</value></node>
12 <node>HA<value>H -0.1455905 1.623495 -2.025311</value></node>
13 <node>C<value>C -0.5601511 3.406333 -0.9147748</value></node>
14 <node>O<value>O -0.5440148 4.087965 -1.963232</value></node>
15 <node>CB<value>C -2.114089 1.411355 -1.200695</value></node>
16 <node>1HB<value>H -2.113627 0.3206328 -1.233166</value></node>
17 <node>2HB<value>H -2.662723 1.730462 -0.3130743</value></node>
18 <node>CG<value>C -2.816849 1.934443 -2.461919</value></node>
19 <node>1HG<value>H -2.878444 3.023734 -2.425601</value></node>
20 <node>2HG<value>H -2.232982 1.645706 -3.338356</value></node>
21 <node>CD<value>C -4.230651 1.346997 -2.563318</value></node>
22 <node>1HD<value>H -4.153291 0.2577495 -2.598617</value></node>
23 <node>2HD<value>H -4.790445 1.632903 -1.669734</value></node>
24 <node>CE<value>C -4.93697 1.869824 -3.82334</value></node>
25 <node>1HE<value>H -4.991973 2.959915 -3.77821</value></node>
26 <node>2HE<value>H -4.353527 1.590667 -4.70365</value></node>
27 <node>NZ<value>N -6.304516 1.325968 -3.962642</value></node>
28 <node>1HZ<value>H -6.733165 1.692468 -4.802127</value></node>
29 <node>2HZ<value>H -6.276195 0.31765 -4.027733</value></node>
30 <node>3HZ<value>H -6.870414 1.591293 -3.16824</value></node>
31 <node>1H<value>H -0.3857403 1.416816 0.8740513</value></node>
32 <node>2H<value>H -0.04427324 0.17682 -0.1571643</value></node>
33 <node>OXT<value>O -0.7869474 3.85405 0.2308864</value></node>
34 </node>
35 <node>Bonds
36 <node>5<value>3H N s</value></node>
37 <node>6<value>CA N s</value></node>
38 <node>10<value>HA CA s</value></node>
39 <node>11<value>C CA s</value></node>
40 <node>14<value>O C d</value></node>
41 <node>15<value>CB CA s</value></node>
42 <node>19<value>1HB CB s</value></node>
43 <node>20<value>2HB CB s</value></node>
44 <node>21<value>CG CB s</value></node>
45 <node>25<value>1HG CG s</value></node>
46 <node>26<value>2HG CG s</value></node>
47 <node>27<value>CD CG s</value></node>
48 <node>31<value>1HD CD s</value></node>
49 <node>32<value>2HD CD s</value></node>
50 <node>33<value>CE CD s</value></node>
51 <node>37<value>1HE CE s</value></node>
52 <node>38<value>2HE CE s</value></node>
53 <node>39<value>NZ CE s</value></node>
54 <node>43<value>1HZ NZ s</value></node>
55 <node>44<value>2HZ NZ s</value></node>
56 <node>45<value>3HZ NZ s</value></node>
57 <node>46<value>1H N s</value></node>
58 <node>47<value>2H N s</value></node>
59 <node>48<value>OXT C s</value></node>
60 </node>
61 <node>Connections
62 <node>N-term<value>N C-term s 1.33 0.5</value></node>
63 <node>C-term<value>C N-term s 1.33 0.5</value></node>
64 </node>
65 <node>Properties
66 <node>AMINO_ACID</node>
67 </node>
68 <node>Variants
69 <node>Default
70 <node>Delete
71 <node>OXT</node>
72 <node>1H</node>
73 <node>2H</node>
74 </node>
75 <node>Rename
76 <node>3H<value>H</value></node>
77 </node>
78 </node>
79 <node>LYS-M
80 <node>Properties
81 <node>C_TERMINAL</node>
82 <node>N_TERMINAL</node>
83 </node>
84 </node>
85 <node>LYS-C
86 <node>Delete
87 <node>1H</node>
88 <node>2H</node>
89 </node>
90 <node>Rename
91 <node>3H<value>H</value></node>
92 </node>
93 <node>Properties
94 <node>C_TERMINAL</node>
95 </node>
96 </node>
97 <node>LYS-N
98 <node>Delete
99 <node>OXT</node>
100 </node>
101 <node>Properties
102 <node>N_TERMINAL</node>
103 </node>
104 </node>
105 </node>
106 </node>