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1bau_MC
ADDED
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@@ -0,0 +1,108 @@
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| 1 |
+
Residue conformations -------------------------------------------
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| 2 |
+
A1 : G C3p_endo anti
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| 3 |
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A2 : G C3p_endo anti
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| 4 |
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A3 : C C3p_endo anti
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| 5 |
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A4 : A C3p_endo anti
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| 6 |
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A5 : A C3p_endo anti
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| 7 |
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A6 : U C3p_endo anti
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| 8 |
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A7 : G C2p_endo anti
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| 9 |
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A8 : A C3p_endo anti
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| 10 |
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A9 : A C3p_endo anti
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| 11 |
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A10 : G C3p_endo anti
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| 12 |
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A11 : C C3p_endo anti
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| 13 |
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A12 : G C3p_endo anti
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| 14 |
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A13 : C C3p_endo anti
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| 15 |
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A14 : G C3p_endo anti
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| 16 |
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A15 : C C3p_endo anti
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| 17 |
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A16 : A C3p_endo anti
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| 18 |
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A17 : C C3p_endo anti
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| 19 |
+
A18 : G C3p_endo anti
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| 20 |
+
A19 : U C3p_endo anti
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| 21 |
+
A20 : U C3p_endo anti
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| 22 |
+
A21 : G C3p_endo anti
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| 23 |
+
A22 : C C3p_endo anti
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| 24 |
+
A23 : C C3p_endo anti
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| 25 |
+
B1 : G C3p_endo anti
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| 26 |
+
B2 : G C3p_endo anti
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| 27 |
+
B3 : C C3p_endo anti
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| 28 |
+
B4 : A C3p_endo anti
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| 29 |
+
B5 : A C3p_endo anti
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| 30 |
+
B6 : U C3p_endo anti
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| 31 |
+
B7 : G C2p_endo anti
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| 32 |
+
B8 : A C3p_endo anti
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| 33 |
+
B9 : A C3p_endo anti
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| 34 |
+
B10 : G C3p_endo anti
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| 35 |
+
B11 : C C3p_endo anti
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| 36 |
+
B12 : G C3p_endo anti
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| 37 |
+
B13 : C C3p_endo anti
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| 38 |
+
B14 : G C3p_endo anti
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| 39 |
+
B15 : C C3p_endo anti
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| 40 |
+
B16 : A C3p_endo anti
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| 41 |
+
B17 : C C3p_endo anti
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| 42 |
+
B18 : G C3p_endo anti
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| 43 |
+
B19 : U C3p_endo anti
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| 44 |
+
B20 : U C3p_endo anti
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| 45 |
+
B21 : G C3p_endo anti
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| 46 |
+
B22 : C C3p_endo anti
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| 47 |
+
B23 : C C3p_endo anti
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| 48 |
+
Adjacent stackings ----------------------------------------------
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| 49 |
+
A1-A2 : adjacent_5p upward
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| 50 |
+
A2-A3 : adjacent_5p upward
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| 51 |
+
A4-A5 : adjacent_5p upward
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| 52 |
+
A5-A6 : adjacent_5p upward
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| 53 |
+
A6-A7 : adjacent_5p upward
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| 54 |
+
A10-A11 : adjacent_5p upward
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| 55 |
+
A12-A13 : adjacent_5p upward
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| 56 |
+
A14-A15 : adjacent_5p upward
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| 57 |
+
A15-A16 : adjacent_5p upward
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| 58 |
+
A18-A19 : adjacent_5p upward
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| 59 |
+
A19-A20 : adjacent_5p upward
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| 60 |
+
A21-A22 : adjacent_5p upward
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| 61 |
+
A22-A23 : adjacent_5p upward
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| 62 |
+
B1-B2 : adjacent_5p upward
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| 63 |
+
B2-B3 : adjacent_5p upward
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| 64 |
+
B4-B5 : adjacent_5p upward
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| 65 |
+
B5-B6 : adjacent_5p upward
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| 66 |
+
B6-B7 : adjacent_5p upward
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| 67 |
+
B10-B11 : adjacent_5p upward
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| 68 |
+
B12-B13 : adjacent_5p upward
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| 69 |
+
B14-B15 : adjacent_5p upward
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| 70 |
+
B15-B16 : adjacent_5p upward
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| 71 |
+
B18-B19 : adjacent_5p upward
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| 72 |
+
B19-B20 : adjacent_5p upward
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| 73 |
+
B21-B22 : adjacent_5p upward
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| 74 |
+
B22-B23 : adjacent_5p upward
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| 75 |
+
Non-Adjacent stackings ------------------------------------------
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| 76 |
+
A4-A21 : outward
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| 77 |
+
A9-B17 : outward
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| 78 |
+
B4-B21 : outward
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| 79 |
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Number of stackings = 29
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| 80 |
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Number of adjacent stackings = 26
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| 81 |
+
Number of non adjacent stackings = 3
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| 82 |
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Base-pairs ------------------------------------------------------
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| 83 |
+
A1-A23 : G-C Ww/Ww pairing antiparallel cis XIX
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| 84 |
+
A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX
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| 85 |
+
A3-A21 : C-G Ww/Ww pairing antiparallel cis XIX
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| 86 |
+
A4-A20 : A-U Ww/Ww pairing antiparallel cis XX
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| 87 |
+
A5-A19 : A-U Ww/Ww pairing antiparallel cis XX
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| 88 |
+
A6-A18 : U-G Ws/Ww pairing antiparallel cis XXVIII
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| 89 |
+
A8-A10 : A-G C8/O2P pairing
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| 90 |
+
A8-A11 : A-C Bh/O2P pairing
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| 91 |
+
A8-B9 : A-A O2'/C8 pairing
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| 92 |
+
A9-B8 : A-A C8/O2' pairing
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| 93 |
+
A9-B16 : A-A Wh/Ss pairing antiparallel cis one_hbond 40
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| 94 |
+
A10-B15 : G-C Ww/Ww pairing antiparallel cis 127
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| 95 |
+
A11-B14 : C-G Ww/Ww pairing antiparallel cis 128
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| 96 |
+
A12-B13 : G-C Ww/Ww pairing antiparallel cis 128
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| 97 |
+
A13-B12 : C-G Ww/Ww pairing antiparallel cis 128
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| 98 |
+
A14-B11 : G-C Ww/Ww pairing antiparallel cis XIX
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| 99 |
+
A15-B10 : C-G Ww/Ww pairing antiparallel cis XIX
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| 100 |
+
A16-B9 : A-A Ss/Wh pairing antiparallel cis one_hbond 40
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| 101 |
+
B1-B23 : G-C Ww/Ww pairing antiparallel cis XIX
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| 102 |
+
B2-B22 : G-C Ww/Ww pairing antiparallel cis XIX
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| 103 |
+
B3-B21 : C-G Ww/Ww pairing antiparallel cis XIX
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| 104 |
+
B4-B20 : A-U Ww/Ww pairing antiparallel cis XX
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| 105 |
+
B5-B19 : A-U Ww/Ww pairing antiparallel cis XX
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| 106 |
+
B6-B18 : U-G Ws/Ww pairing antiparallel cis XXVIII
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| 107 |
+
B8-B10 : A-G C8/O2P pairing
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| 108 |
+
B8-B11 : A-C Bh/O2P pairing
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