Upload 1a4d_MC with huggingface_hub
Browse files
1a4d_MC
ADDED
|
@@ -0,0 +1,101 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
Residue conformations -------------------------------------------
|
| 2 |
+
A68 : G C3p_endo anti
|
| 3 |
+
A69 : G C3p_endo anti
|
| 4 |
+
A70 : C C3p_endo anti
|
| 5 |
+
A71 : C C3p_endo anti
|
| 6 |
+
A72 : G C3p_endo anti
|
| 7 |
+
A73 : A C2p_exo anti
|
| 8 |
+
A74 : U C3p_endo anti
|
| 9 |
+
A75 : G C3p_endo anti
|
| 10 |
+
A76 : G C3p_endo anti
|
| 11 |
+
A77 : U C3p_endo anti
|
| 12 |
+
A78 : A C3p_endo anti
|
| 13 |
+
A79 : G C3p_endo anti
|
| 14 |
+
A80 : U C3p_endo anti
|
| 15 |
+
A81 : G C3p_endo anti
|
| 16 |
+
A82 : U C3p_endo anti
|
| 17 |
+
A83 : G C3p_endo anti
|
| 18 |
+
A84 : G C3p_endo anti
|
| 19 |
+
A85 : G C3p_endo anti
|
| 20 |
+
A86 : G C3p_endo anti
|
| 21 |
+
A87 : U C4p_exo anti
|
| 22 |
+
A88 : C C2p_endo anti
|
| 23 |
+
B89 : U C3p_endo anti
|
| 24 |
+
B90 : C C2p_exo anti
|
| 25 |
+
B91 : C C3p_endo anti
|
| 26 |
+
B92 : C C3p_endo anti
|
| 27 |
+
B93 : C C3p_endo anti
|
| 28 |
+
B94 : A C3p_endo anti
|
| 29 |
+
B95 : U C3p_endo anti
|
| 30 |
+
B96 : G C3p_endo anti
|
| 31 |
+
B97 : C C3p_endo anti
|
| 32 |
+
B98 : G C3p_endo anti
|
| 33 |
+
B99 : A C2p_exo anti
|
| 34 |
+
B100 : G C3p_endo anti
|
| 35 |
+
B101 : A C2p_exo anti
|
| 36 |
+
B102 : G C3p_endo anti
|
| 37 |
+
B103 : U C3p_endo anti
|
| 38 |
+
B104 : A C3p_endo anti
|
| 39 |
+
B105 : G C3p_endo anti
|
| 40 |
+
B106 : G C3p_endo anti
|
| 41 |
+
B107 : C C3p_endo anti
|
| 42 |
+
B108 : C C3p_endo anti
|
| 43 |
+
Adjacent stackings ----------------------------------------------
|
| 44 |
+
A68-A69 : adjacent_5p upward
|
| 45 |
+
A69-A70 : adjacent_5p upward
|
| 46 |
+
A71-A72 : adjacent_5p upward
|
| 47 |
+
A73-A74 : adjacent_5p upward
|
| 48 |
+
A74-A75 : adjacent_5p upward
|
| 49 |
+
A75-A76 : adjacent_5p upward
|
| 50 |
+
A76-A77 : adjacent_5p upward
|
| 51 |
+
A77-A78 : adjacent_5p upward
|
| 52 |
+
A78-A79 : adjacent_5p upward
|
| 53 |
+
A79-A80 : adjacent_5p upward
|
| 54 |
+
A81-A82 : adjacent_5p upward
|
| 55 |
+
A82-A83 : adjacent_5p upward
|
| 56 |
+
A83-A84 : adjacent_5p upward
|
| 57 |
+
A84-A85 : adjacent_5p upward
|
| 58 |
+
A85-A86 : adjacent_5p upward
|
| 59 |
+
B93-B94 : adjacent_5p upward
|
| 60 |
+
B94-B95 : adjacent_5p upward
|
| 61 |
+
B96-B97 : adjacent_5p upward
|
| 62 |
+
B97-B98 : adjacent_5p upward
|
| 63 |
+
B99-B100 : adjacent_5p upward
|
| 64 |
+
B100-B101 : adjacent_5p upward
|
| 65 |
+
B101-B102 : adjacent_5p upward
|
| 66 |
+
B102-B103 : adjacent_5p upward
|
| 67 |
+
B103-B104 : adjacent_5p upward
|
| 68 |
+
B104-B105 : adjacent_5p upward
|
| 69 |
+
B105-B106 : adjacent_5p upward
|
| 70 |
+
B106-B107 : adjacent_5p upward
|
| 71 |
+
Non-Adjacent stackings ------------------------------------------
|
| 72 |
+
A73-B104 : outward
|
| 73 |
+
A78-B99 : outward
|
| 74 |
+
A81-B96 : outward
|
| 75 |
+
A83-B94 : outward
|
| 76 |
+
Number of stackings = 31
|
| 77 |
+
Number of adjacent stackings = 27
|
| 78 |
+
Number of non adjacent stackings = 4
|
| 79 |
+
Base-pairs ------------------------------------------------------
|
| 80 |
+
A68-B108 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 81 |
+
A69-B107 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 82 |
+
A70-B106 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 83 |
+
A71-B105 : C-G Ww/Ww pairing antiparallel cis XIX
|
| 84 |
+
A72-B102 : G-G Hh/O2P pairing
|
| 85 |
+
A72-B103 : G-U Ww/O2P Bs/O2P pairing
|
| 86 |
+
A72-B104 : G-A Ss/Hh pairing antiparallel trans XI
|
| 87 |
+
A73-B103 : A-U Hh/Ws pairing antiparallel trans XXIV
|
| 88 |
+
A74-B102 : U-G Hh/Ww pairing antiparallel trans one_hbond 91
|
| 89 |
+
A75-B101 : G-A Hw/Wh pairing antiparallel cis one_hbond 64
|
| 90 |
+
A76-B100 : G-G Ww/Bh pairing antiparallel trans 115
|
| 91 |
+
A77-B99 : U-A Ws/Hh pairing antiparallel trans XXIV
|
| 92 |
+
A78-B98 : A-G Hh/Ss Bh/O2' pairing antiparallel trans XI
|
| 93 |
+
A79-B97 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 94 |
+
A80-B96 : U-G Ws/Ww pairing antiparallel cis XXVIII
|
| 95 |
+
A81-B95 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
| 96 |
+
A82-B94 : U-A Ww/Ww pairing antiparallel cis XX
|
| 97 |
+
A83-B93 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 98 |
+
A84-B92 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 99 |
+
A85-B91 : G-C Ww/Ww pairing antiparallel cis XIX
|
| 100 |
+
A86-B90 : G-C Bs/Ww pairing antiparallel cis 128
|
| 101 |
+
B89-B90 : U-C O2P/Ww O2P/Bh adjacent_5p pairing
|