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comparison CADDSuite-1.0.1/data/fragments/TYR.db @ 26:2f19ad95a19d

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Uploaded https://github.com/downloads/CADDSuite/main/CADDSuite_1.0.1_Linux_x86-64.tar.gz
author greg
date Tue, 15 Nov 2011 11:55:29 -0500
parents 389056b8864a
children
comparison
equal deleted inserted replaced
25:a4ddf6ef032d 26:2f19ad95a19d
1 <node>TYR
2 <node>Names
3 <node>Tyrosine</node>
4 <node>Tyrosin</node>
5 <node>Tyr</node>
6 <node>Y</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N 0.0892698 1.397582 0.01951128</value></node>
10 <node>3H<value>H 0.7468582 2.066645 0.3997705</value></node>
11 <node>CA<value>C -0.7022205 2.069859 -1.026261</value></node>
12 <node>HA<value>H -0.008099081 2.359834 -1.816127</value></node>
13 <node>C<value>C -1.325588 3.357111 -0.4775957</value></node>
14 <node>O<value>O -0.5109698 4.260831 -0.1874116</value></node>
15 <node>CB<value>C -1.734457 1.10693 -1.63201</value></node>
16 <node>1HB<value>H -1.201299 0.2395796 -2.0242</value></node>
17 <node>2HB<value>H -2.395853 0.7504926 -0.8408001</value></node>
18 <node>CG<value>C -2.557806 1.696825 -2.76258</value></node>
19 <node>CD1<value>C -3.932589 1.947373 -2.588092</value></node>
20 <node>HD1<value>H -4.418424 1.704676 -1.654011</value></node>
21 <node>CD2<value>C -1.942974 2.007092 -3.98996</value></node>
22 <node>HD2<value>H -0.8916094 1.806731 -4.138027</value></node>
23 <node>CE1<value>C -4.68326 2.520281 -3.629397</value></node>
24 <node>HE1<value>H -5.736402 2.710342 -3.483602</value></node>
25 <node>CE2<value>C -2.6951 2.579179 -5.030118</value></node>
26 <node>HE2<value>H -2.222162 2.818849 -5.971263</value></node>
27 <node>CZ<value>C -4.063968 2.83503 -4.851168</value></node>
28 <node>OH<value>O -4.785331 3.388967 -5.865766</value></node>
29 <node>HH<value>H -5.709894 3.51796 -5.645833</value></node>
30 <node>OXT<value>O -2.492483 3.282188 -0.03387626</value></node>
31 <node>1H<value>H -0.5246789 1.074702 0.7536617</value></node>
32 <node>2H<value>H 0.5865244 0.613409 -0.3778604</value></node>
33 </node>
34 <node>Bonds
35 <node>5<value>3H N s</value></node>
36 <node>6<value>CA N s</value></node>
37 <node>10<value>HA CA s</value></node>
38 <node>11<value>C CA s</value></node>
39 <node>14<value>O C d</value></node>
40 <node>15<value>CB CA s</value></node>
41 <node>19<value>1HB CB s</value></node>
42 <node>20<value>2HB CB s</value></node>
43 <node>21<value>CG CB s</value></node>
44 <node>24<value>CD1 CG a</value></node>
45 <node>27<value>HD1 CD1 s</value></node>
46 <node>28<value>CD2 CG a</value></node>
47 <node>31<value>HD2 CD2 s</value></node>
48 <node>32<value>CE1 CD1 a</value></node>
49 <node>35<value>HE1 CE1 s</value></node>
50 <node>36<value>CE2 CD2 a</value></node>
51 <node>39<value>HE2 CE2 s</value></node>
52 <node>40<value>CZ CE1 a</value></node>
53 <node>41<value>CZ CE2 a</value></node>
54 <node>43<value>OH CZ s</value></node>
55 <node>45<value>HH OH s</value></node>
56 <node>46<value>OXT C s</value></node>
57 <node>47<value>1H N s</value></node>
58 <node>48<value>2H N s</value></node>
59 </node>
60 <node>Connections
61 <node>N-term<value>N C-term s 1.33 0.5</value></node>
62 <node>C-term<value>C N-term s 1.33 0.5</value></node>
63 </node>
64 <node>Properties
65 <node>AMINO_ACID</node>
66 </node>
67 <node>Variants
68 <node>Default
69 <node>Delete
70 <node>OXT</node>
71 <node>1H</node>
72 <node>2H</node>
73 </node>
74 <node>Rename
75 <node>3H<value>H</value></node>
76 </node>
77 </node>
78 <node>TYR-M
79 <node>Properties
80 <node>C_TERMINAL</node>
81 <node>N_TERMINAL</node>
82 </node>
83 </node>
84 <node>TYR-C
85 <node>Delete
86 <node>1H</node>
87 <node>2H</node>
88 </node>
89 <node>Rename
90 <node>3H<value>H</value></node>
91 </node>
92 <node>Properties
93 <node>C_TERMINAL</node>
94 </node>
95 </node>
96 <node>TYR-N
97 <node>Delete
98 <node>OXT</node>
99 </node>
100 <node>Properties
101 <node>N_TERMINAL</node>
102 </node>
103 </node>
104 </node>
105 </node>