Upload 165d_MC with huggingface_hub
Browse files
165d_MC
ADDED
@@ -0,0 +1,103 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
Residue conformations -------------------------------------------
|
2 |
+
A1 : G C3p_endo anti
|
3 |
+
A2 : C C3p_endo anti
|
4 |
+
A3 : U C3p_endo anti
|
5 |
+
A4 : U C3p_endo anti
|
6 |
+
A5 : C C3p_endo anti
|
7 |
+
A6 : G C3p_endo anti
|
8 |
+
A7 : G C3p_endo anti
|
9 |
+
A8 : C C3p_endo anti
|
10 |
+
A9 : BRU
|
11 |
+
B10 : G C3p_endo anti
|
12 |
+
B11 : C C3p_endo anti
|
13 |
+
B12 : U C3p_endo anti
|
14 |
+
B13 : U C2p_exo anti
|
15 |
+
B14 : C C3p_endo anti
|
16 |
+
B15 : G C3p_endo anti
|
17 |
+
B16 : G C3p_endo anti
|
18 |
+
B17 : C C3p_endo anti
|
19 |
+
B18 : BRU
|
20 |
+
A19 : RHD
|
21 |
+
A20 : RHD
|
22 |
+
A22 : RHD
|
23 |
+
B21 : RHD
|
24 |
+
A23 : HOH
|
25 |
+
A25 : HOH
|
26 |
+
A26 : HOH
|
27 |
+
A27 : HOH
|
28 |
+
A28 : HOH
|
29 |
+
A29 : HOH
|
30 |
+
A30 : HOH
|
31 |
+
A31 : HOH
|
32 |
+
A33 : HOH
|
33 |
+
A35 : HOH
|
34 |
+
A36 : HOH
|
35 |
+
A37 : HOH
|
36 |
+
A38 : HOH
|
37 |
+
A41 : HOH
|
38 |
+
A43 : HOH
|
39 |
+
A47 : HOH
|
40 |
+
A48 : HOH
|
41 |
+
A51 : HOH
|
42 |
+
A53 : HOH
|
43 |
+
A54 : HOH
|
44 |
+
A56 : HOH
|
45 |
+
A57 : HOH
|
46 |
+
A59 : HOH
|
47 |
+
A60 : HOH
|
48 |
+
A61 : HOH
|
49 |
+
A63 : HOH
|
50 |
+
A64 : HOH
|
51 |
+
A65 : HOH
|
52 |
+
A66 : HOH
|
53 |
+
A73 : HOH
|
54 |
+
A74 : HOH
|
55 |
+
B24 : HOH
|
56 |
+
B32 : HOH
|
57 |
+
B34 : HOH
|
58 |
+
B39 : HOH
|
59 |
+
B40 : HOH
|
60 |
+
B42 : HOH
|
61 |
+
B44 : HOH
|
62 |
+
B45 : HOH
|
63 |
+
B46 : HOH
|
64 |
+
B49 : HOH
|
65 |
+
B50 : HOH
|
66 |
+
B52 : HOH
|
67 |
+
B55 : HOH
|
68 |
+
B58 : HOH
|
69 |
+
B62 : HOH
|
70 |
+
B67 : HOH
|
71 |
+
B68 : HOH
|
72 |
+
B69 : HOH
|
73 |
+
B70 : HOH
|
74 |
+
B71 : HOH
|
75 |
+
B72 : HOH
|
76 |
+
B75 : HOH
|
77 |
+
B76 : HOH
|
78 |
+
Adjacent stackings ----------------------------------------------
|
79 |
+
A1-A2 : adjacent_5p upward
|
80 |
+
A2-A3 : adjacent_5p upward
|
81 |
+
A4-A5 : adjacent_5p upward
|
82 |
+
A5-A6 : adjacent_5p upward
|
83 |
+
A6-A7 : adjacent_5p upward
|
84 |
+
A7-A8 : adjacent_5p upward
|
85 |
+
B10-B11 : adjacent_5p upward
|
86 |
+
B11-B12 : adjacent_5p upward
|
87 |
+
B13-B14 : adjacent_5p upward
|
88 |
+
B14-B15 : adjacent_5p upward
|
89 |
+
B15-B16 : adjacent_5p upward
|
90 |
+
B16-B17 : adjacent_5p upward
|
91 |
+
Non-Adjacent stackings ------------------------------------------
|
92 |
+
Number of stackings = 12
|
93 |
+
Number of adjacent stackings = 12
|
94 |
+
Number of non adjacent stackings = 0
|
95 |
+
Base-pairs ------------------------------------------------------
|
96 |
+
A1-B17 : G-C Ww/Ww pairing antiparallel cis XIX
|
97 |
+
A2-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
98 |
+
A3-B15 : U-G Ws/Ww pairing antiparallel cis XXVIII
|
99 |
+
A4-B14 : U-C Wh/Wh pairing antiparallel cis one_hbond
|
100 |
+
A5-B13 : C-U Wh/Wh pairing antiparallel cis one_hbond
|
101 |
+
A6-B12 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
102 |
+
A7-B11 : G-C Ww/Ww pairing antiparallel cis XIX
|
103 |
+
A8-B10 : C-G Ww/Ww pairing antiparallel cis XIX
|