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157d_MC
ADDED
@@ -0,0 +1,162 @@
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1 |
+
Residue conformations -------------------------------------------
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2 |
+
A1 : C C3p_endo anti
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3 |
+
A2 : G C3p_endo anti
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4 |
+
A3 : C C3p_endo anti
|
5 |
+
A4 : G C3p_endo anti
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6 |
+
A5 : A C4p_exo anti
|
7 |
+
A6 : A C3p_endo anti
|
8 |
+
A7 : U C3p_endo anti
|
9 |
+
A8 : U C2p_exo anti
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10 |
+
A9 : A C3p_endo anti
|
11 |
+
A10 : G C3p_endo anti
|
12 |
+
A11 : C C3p_endo anti
|
13 |
+
A12 : G C3p_endo anti
|
14 |
+
B13 : C C2p_exo anti
|
15 |
+
B14 : G C3p_endo anti
|
16 |
+
B15 : C C2p_exo anti
|
17 |
+
B16 : G C3p_endo anti
|
18 |
+
B17 : A C3p_endo anti
|
19 |
+
B18 : A C2p_exo anti
|
20 |
+
B19 : U C4p_exo anti
|
21 |
+
B20 : U C3p_endo anti
|
22 |
+
B21 : A C3p_endo anti
|
23 |
+
B22 : G C3p_endo anti
|
24 |
+
B23 : C C3p_endo anti
|
25 |
+
B24 : G C3p_endo anti
|
26 |
+
A25 : HOH
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27 |
+
A26 : HOH
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28 |
+
A31 : HOH
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29 |
+
A33 : HOH
|
30 |
+
A42 : HOH
|
31 |
+
A43 : HOH
|
32 |
+
A44 : HOH
|
33 |
+
A45 : HOH
|
34 |
+
A46 : HOH
|
35 |
+
A47 : HOH
|
36 |
+
A48 : HOH
|
37 |
+
A49 : HOH
|
38 |
+
A50 : HOH
|
39 |
+
A51 : HOH
|
40 |
+
A52 : HOH
|
41 |
+
A53 : HOH
|
42 |
+
A56 : HOH
|
43 |
+
A61 : HOH
|
44 |
+
A62 : HOH
|
45 |
+
A70 : HOH
|
46 |
+
A75 : HOH
|
47 |
+
A76 : HOH
|
48 |
+
A77 : HOH
|
49 |
+
A78 : HOH
|
50 |
+
A80 : HOH
|
51 |
+
A81 : HOH
|
52 |
+
A82 : HOH
|
53 |
+
A83 : HOH
|
54 |
+
A84 : HOH
|
55 |
+
A85 : HOH
|
56 |
+
A86 : HOH
|
57 |
+
A87 : HOH
|
58 |
+
A88 : HOH
|
59 |
+
A89 : HOH
|
60 |
+
A91 : HOH
|
61 |
+
A94 : HOH
|
62 |
+
A96 : HOH
|
63 |
+
A98 : HOH
|
64 |
+
A99 : HOH
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65 |
+
A100 : HOH
|
66 |
+
A103 : HOH
|
67 |
+
A104 : HOH
|
68 |
+
A105 : HOH
|
69 |
+
A106 : HOH
|
70 |
+
A107 : HOH
|
71 |
+
A111 : HOH
|
72 |
+
A112 : HOH
|
73 |
+
A113 : HOH
|
74 |
+
A114 : HOH
|
75 |
+
A116 : HOH
|
76 |
+
A117 : HOH
|
77 |
+
A120 : HOH
|
78 |
+
A121 : HOH
|
79 |
+
B27 : HOH
|
80 |
+
B28 : HOH
|
81 |
+
B29 : HOH
|
82 |
+
B30 : HOH
|
83 |
+
B32 : HOH
|
84 |
+
B34 : HOH
|
85 |
+
B35 : HOH
|
86 |
+
B36 : HOH
|
87 |
+
B37 : HOH
|
88 |
+
B38 : HOH
|
89 |
+
B39 : HOH
|
90 |
+
B40 : HOH
|
91 |
+
B41 : HOH
|
92 |
+
B54 : HOH
|
93 |
+
B55 : HOH
|
94 |
+
B57 : HOH
|
95 |
+
B58 : HOH
|
96 |
+
B59 : HOH
|
97 |
+
B60 : HOH
|
98 |
+
B63 : HOH
|
99 |
+
B64 : HOH
|
100 |
+
B65 : HOH
|
101 |
+
B66 : HOH
|
102 |
+
B67 : HOH
|
103 |
+
B68 : HOH
|
104 |
+
B69 : HOH
|
105 |
+
B71 : HOH
|
106 |
+
B72 : HOH
|
107 |
+
B73 : HOH
|
108 |
+
B74 : HOH
|
109 |
+
B79 : HOH
|
110 |
+
B90 : HOH
|
111 |
+
B92 : HOH
|
112 |
+
B93 : HOH
|
113 |
+
B95 : HOH
|
114 |
+
B97 : HOH
|
115 |
+
B101 : HOH
|
116 |
+
B102 : HOH
|
117 |
+
B108 : HOH
|
118 |
+
B109 : HOH
|
119 |
+
B110 : HOH
|
120 |
+
B115 : HOH
|
121 |
+
B118 : HOH
|
122 |
+
B119 : HOH
|
123 |
+
Adjacent stackings ----------------------------------------------
|
124 |
+
A2-A3 : adjacent_5p upward
|
125 |
+
A3-A4 : adjacent_5p upward
|
126 |
+
A4-A5 : adjacent_5p upward
|
127 |
+
A5-A6 : adjacent_5p upward
|
128 |
+
A6-A7 : adjacent_5p upward
|
129 |
+
A7-A8 : adjacent_5p upward
|
130 |
+
A8-A9 : adjacent_5p upward
|
131 |
+
A9-A10 : adjacent_5p upward
|
132 |
+
A10-A11 : adjacent_5p upward
|
133 |
+
A11-A12 : adjacent_5p upward
|
134 |
+
B14-B15 : adjacent_5p upward
|
135 |
+
B15-B16 : adjacent_5p upward
|
136 |
+
B16-B17 : adjacent_5p upward
|
137 |
+
B17-B18 : adjacent_5p upward
|
138 |
+
B18-B19 : adjacent_5p upward
|
139 |
+
B19-B20 : adjacent_5p upward
|
140 |
+
B20-B21 : adjacent_5p upward
|
141 |
+
B21-B22 : adjacent_5p upward
|
142 |
+
B22-B23 : adjacent_5p upward
|
143 |
+
B23-B24 : adjacent_5p upward
|
144 |
+
Non-Adjacent stackings ------------------------------------------
|
145 |
+
A2-B24 : outward
|
146 |
+
A12-B14 : outward
|
147 |
+
Number of stackings = 22
|
148 |
+
Number of adjacent stackings = 20
|
149 |
+
Number of non adjacent stackings = 2
|
150 |
+
Base-pairs ------------------------------------------------------
|
151 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
152 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
153 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
154 |
+
A4-B21 : G-A Ww/Ww pairing antiparallel cis VIII
|
155 |
+
A5-B20 : A-U Ww/Ww pairing antiparallel cis XX
|
156 |
+
A6-B19 : A-U Ww/Ww pairing antiparallel cis XX
|
157 |
+
A7-B18 : U-A Ww/Ww pairing antiparallel cis XX
|
158 |
+
A8-B17 : U-A Ww/Ww pairing antiparallel cis XX
|
159 |
+
A9-B16 : A-G Ww/Ww pairing antiparallel cis VIII
|
160 |
+
A10-B15 : G-C Ww/Ww pairing antiparallel cis XIX
|
161 |
+
A11-B14 : C-G Ww/Ww pairing antiparallel cis XIX
|
162 |
+
A12-B13 : G-C Ww/Ww pairing antiparallel cis XIX
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