Add files using upload-large-folder tool
Browse files- structures/1a4d.cif +0 -0
- structures/1dqf.cif +1768 -0
- structures/2m22.cif +0 -0
- structures/2mjh.cif +0 -0
- structures/3g8s.cif +0 -0
- structures/3g96.cif +0 -0
- structures/3gog.cif +0 -0
- structures/4bs2.cif +0 -0
- structures/4kyy.cif +0 -0
- structures/4rwp.cif +0 -0
- structures/5jch.cif +0 -0
- structures/6o5f.cif +0 -0
- structures/6xas.cif +0 -0
- structures/6zxd.cif +0 -0
- structures/7bog.cif +0 -0
- structures/7eia.cif +0 -0
- structures/7wtu.cif +0 -0
- structures/7wvj.cif +0 -0
- structures/8h0i.cif +0 -0
- structures/8xmb.cif +0 -0
structures/1a4d.cif
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structures/1dqf.cif
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| 1 |
+
data_1DQF
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1DQF
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.385
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 1DQF pdb_00001dqf 10.2210/pdb1dqf/pdb
|
| 15 |
+
NDB AR0026 ? ?
|
| 16 |
+
RCSB RCSB010292 ? ?
|
| 17 |
+
WWPDB D_1000010292 ? ?
|
| 18 |
+
#
|
| 19 |
+
loop_
|
| 20 |
+
_pdbx_audit_revision_history.ordinal
|
| 21 |
+
_pdbx_audit_revision_history.data_content_type
|
| 22 |
+
_pdbx_audit_revision_history.major_revision
|
| 23 |
+
_pdbx_audit_revision_history.minor_revision
|
| 24 |
+
_pdbx_audit_revision_history.revision_date
|
| 25 |
+
1 'Structure model' 1 0 2000-11-13
|
| 26 |
+
2 'Structure model' 1 1 2008-04-27
|
| 27 |
+
3 'Structure model' 1 2 2011-07-13
|
| 28 |
+
4 'Structure model' 1 3 2011-11-16
|
| 29 |
+
5 'Structure model' 1 4 2024-02-07
|
| 30 |
+
#
|
| 31 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 33 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 34 |
+
_pdbx_audit_revision_details.provider repository
|
| 35 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 36 |
+
_pdbx_audit_revision_details.description ?
|
| 37 |
+
_pdbx_audit_revision_details.details ?
|
| 38 |
+
#
|
| 39 |
+
loop_
|
| 40 |
+
_pdbx_audit_revision_group.ordinal
|
| 41 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 42 |
+
_pdbx_audit_revision_group.data_content_type
|
| 43 |
+
_pdbx_audit_revision_group.group
|
| 44 |
+
1 2 'Structure model' 'Version format compliance'
|
| 45 |
+
2 3 'Structure model' 'Version format compliance'
|
| 46 |
+
3 4 'Structure model' 'Atomic model'
|
| 47 |
+
4 5 'Structure model' 'Data collection'
|
| 48 |
+
5 5 'Structure model' 'Database references'
|
| 49 |
+
6 5 'Structure model' 'Derived calculations'
|
| 50 |
+
#
|
| 51 |
+
loop_
|
| 52 |
+
_pdbx_audit_revision_category.ordinal
|
| 53 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 54 |
+
_pdbx_audit_revision_category.data_content_type
|
| 55 |
+
_pdbx_audit_revision_category.category
|
| 56 |
+
1 5 'Structure model' chem_comp_atom
|
| 57 |
+
2 5 'Structure model' chem_comp_bond
|
| 58 |
+
3 5 'Structure model' database_2
|
| 59 |
+
4 5 'Structure model' pdbx_struct_conn_angle
|
| 60 |
+
5 5 'Structure model' struct_conn
|
| 61 |
+
6 5 'Structure model' struct_site
|
| 62 |
+
#
|
| 63 |
+
loop_
|
| 64 |
+
_pdbx_audit_revision_item.ordinal
|
| 65 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 66 |
+
_pdbx_audit_revision_item.data_content_type
|
| 67 |
+
_pdbx_audit_revision_item.item
|
| 68 |
+
1 5 'Structure model' '_database_2.pdbx_DOI'
|
| 69 |
+
2 5 'Structure model' '_database_2.pdbx_database_accession'
|
| 70 |
+
3 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_asym_id'
|
| 71 |
+
4 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id'
|
| 72 |
+
5 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id'
|
| 73 |
+
6 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_asym_id'
|
| 74 |
+
7 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_atom_id'
|
| 75 |
+
8 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id'
|
| 76 |
+
9 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id'
|
| 77 |
+
10 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_symmetry'
|
| 78 |
+
11 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_asym_id'
|
| 79 |
+
12 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id'
|
| 80 |
+
13 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id'
|
| 81 |
+
14 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_asym_id'
|
| 82 |
+
15 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_atom_id'
|
| 83 |
+
16 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id'
|
| 84 |
+
17 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id'
|
| 85 |
+
18 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_symmetry'
|
| 86 |
+
19 5 'Structure model' '_pdbx_struct_conn_angle.value'
|
| 87 |
+
20 5 'Structure model' '_struct_conn.pdbx_dist_value'
|
| 88 |
+
21 5 'Structure model' '_struct_conn.ptnr1_auth_asym_id'
|
| 89 |
+
22 5 'Structure model' '_struct_conn.ptnr1_auth_comp_id'
|
| 90 |
+
23 5 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
|
| 91 |
+
24 5 'Structure model' '_struct_conn.ptnr1_label_asym_id'
|
| 92 |
+
25 5 'Structure model' '_struct_conn.ptnr1_label_atom_id'
|
| 93 |
+
26 5 'Structure model' '_struct_conn.ptnr1_label_comp_id'
|
| 94 |
+
27 5 'Structure model' '_struct_conn.ptnr1_label_seq_id'
|
| 95 |
+
28 5 'Structure model' '_struct_conn.ptnr1_symmetry'
|
| 96 |
+
29 5 'Structure model' '_struct_conn.ptnr2_auth_asym_id'
|
| 97 |
+
30 5 'Structure model' '_struct_conn.ptnr2_auth_comp_id'
|
| 98 |
+
31 5 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
|
| 99 |
+
32 5 'Structure model' '_struct_conn.ptnr2_label_asym_id'
|
| 100 |
+
33 5 'Structure model' '_struct_conn.ptnr2_label_atom_id'
|
| 101 |
+
34 5 'Structure model' '_struct_conn.ptnr2_label_comp_id'
|
| 102 |
+
35 5 'Structure model' '_struct_conn.ptnr2_label_seq_id'
|
| 103 |
+
36 5 'Structure model' '_struct_conn.ptnr2_symmetry'
|
| 104 |
+
37 5 'Structure model' '_struct_site.pdbx_auth_asym_id'
|
| 105 |
+
38 5 'Structure model' '_struct_site.pdbx_auth_comp_id'
|
| 106 |
+
39 5 'Structure model' '_struct_site.pdbx_auth_seq_id'
|
| 107 |
+
#
|
| 108 |
+
_pdbx_database_status.status_code REL
|
| 109 |
+
_pdbx_database_status.entry_id 1DQF
|
| 110 |
+
_pdbx_database_status.recvd_initial_deposition_date 2000-01-04
|
| 111 |
+
_pdbx_database_status.deposit_site RCSB
|
| 112 |
+
_pdbx_database_status.process_site RCSB
|
| 113 |
+
_pdbx_database_status.status_code_sf REL
|
| 114 |
+
_pdbx_database_status.SG_entry .
|
| 115 |
+
_pdbx_database_status.status_code_mr ?
|
| 116 |
+
_pdbx_database_status.status_code_cs ?
|
| 117 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 118 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 119 |
+
_pdbx_database_status.methods_development_category ?
|
| 120 |
+
#
|
| 121 |
+
_pdbx_database_related.db_name PDB
|
| 122 |
+
_pdbx_database_related.db_id 1DQH
|
| 123 |
+
_pdbx_database_related.details .
|
| 124 |
+
_pdbx_database_related.content_type unspecified
|
| 125 |
+
#
|
| 126 |
+
loop_
|
| 127 |
+
_audit_author.name
|
| 128 |
+
_audit_author.pdbx_ordinal
|
| 129 |
+
'Xiong, Y.' 1
|
| 130 |
+
'Sundaralingam, M.' 2
|
| 131 |
+
#
|
| 132 |
+
_citation.id primary
|
| 133 |
+
_citation.title 'Two crystal forms of helix II of Xenopus laevis 5S rRNA with a cytosine bulge.'
|
| 134 |
+
_citation.journal_abbrev RNA
|
| 135 |
+
_citation.journal_volume 6
|
| 136 |
+
_citation.page_first 1316
|
| 137 |
+
_citation.page_last 1324
|
| 138 |
+
_citation.year 2000
|
| 139 |
+
_citation.journal_id_ASTM RNARFU
|
| 140 |
+
_citation.country UK
|
| 141 |
+
_citation.journal_id_ISSN 1355-8382
|
| 142 |
+
_citation.journal_id_CSD 2122
|
| 143 |
+
_citation.book_publisher ?
|
| 144 |
+
_citation.pdbx_database_id_PubMed 10999608
|
| 145 |
+
_citation.pdbx_database_id_DOI 10.1017/S135583820000090X
|
| 146 |
+
#
|
| 147 |
+
loop_
|
| 148 |
+
_citation_author.citation_id
|
| 149 |
+
_citation_author.name
|
| 150 |
+
_citation_author.ordinal
|
| 151 |
+
_citation_author.identifier_ORCID
|
| 152 |
+
primary 'Xiong, Y.' 1 ?
|
| 153 |
+
primary 'Sundaralingam, M.' 2 ?
|
| 154 |
+
#
|
| 155 |
+
loop_
|
| 156 |
+
_entity.id
|
| 157 |
+
_entity.type
|
| 158 |
+
_entity.src_method
|
| 159 |
+
_entity.pdbx_description
|
| 160 |
+
_entity.formula_weight
|
| 161 |
+
_entity.pdbx_number_of_molecules
|
| 162 |
+
_entity.pdbx_ec
|
| 163 |
+
_entity.pdbx_mutation
|
| 164 |
+
_entity.pdbx_fragment
|
| 165 |
+
_entity.details
|
| 166 |
+
1 polymer syn
|
| 167 |
+
;RNA (5'-R(*GP*CP*CP*AP*CP*CP*CP*UP*G)-3')
|
| 168 |
+
;
|
| 169 |
+
2806.735 1 ? ? 'HELIX II OF 5S RRNA' ?
|
| 170 |
+
2 polymer syn
|
| 171 |
+
;RNA (5'-R(*CP*AP*GP*GP*GP*UP*CP*GP*GP*C)-3')
|
| 172 |
+
;
|
| 173 |
+
3231.988 1 ? ? ? ?
|
| 174 |
+
3 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ?
|
| 175 |
+
4 water nat water 18.015 38 ? ? ? ?
|
| 176 |
+
#
|
| 177 |
+
loop_
|
| 178 |
+
_entity_poly.entity_id
|
| 179 |
+
_entity_poly.type
|
| 180 |
+
_entity_poly.nstd_linkage
|
| 181 |
+
_entity_poly.nstd_monomer
|
| 182 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 183 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 184 |
+
_entity_poly.pdbx_strand_id
|
| 185 |
+
_entity_poly.pdbx_target_identifier
|
| 186 |
+
1 polyribonucleotide no no GCCACCCUG GCCACCCUG A ?
|
| 187 |
+
2 polyribonucleotide no no CAGGGUCGGC CAGGGUCGGC B ?
|
| 188 |
+
#
|
| 189 |
+
loop_
|
| 190 |
+
_pdbx_entity_nonpoly.entity_id
|
| 191 |
+
_pdbx_entity_nonpoly.name
|
| 192 |
+
_pdbx_entity_nonpoly.comp_id
|
| 193 |
+
3 'CALCIUM ION' CA
|
| 194 |
+
4 water HOH
|
| 195 |
+
#
|
| 196 |
+
loop_
|
| 197 |
+
_entity_poly_seq.entity_id
|
| 198 |
+
_entity_poly_seq.num
|
| 199 |
+
_entity_poly_seq.mon_id
|
| 200 |
+
_entity_poly_seq.hetero
|
| 201 |
+
1 1 G n
|
| 202 |
+
1 2 C n
|
| 203 |
+
1 3 C n
|
| 204 |
+
1 4 A n
|
| 205 |
+
1 5 C n
|
| 206 |
+
1 6 C n
|
| 207 |
+
1 7 C n
|
| 208 |
+
1 8 U n
|
| 209 |
+
1 9 G n
|
| 210 |
+
2 1 C n
|
| 211 |
+
2 2 A n
|
| 212 |
+
2 3 G n
|
| 213 |
+
2 4 G n
|
| 214 |
+
2 5 G n
|
| 215 |
+
2 6 U n
|
| 216 |
+
2 7 C n
|
| 217 |
+
2 8 G n
|
| 218 |
+
2 9 G n
|
| 219 |
+
2 10 C n
|
| 220 |
+
#
|
| 221 |
+
loop_
|
| 222 |
+
_chem_comp.id
|
| 223 |
+
_chem_comp.type
|
| 224 |
+
_chem_comp.mon_nstd_flag
|
| 225 |
+
_chem_comp.name
|
| 226 |
+
_chem_comp.pdbx_synonyms
|
| 227 |
+
_chem_comp.formula
|
| 228 |
+
_chem_comp.formula_weight
|
| 229 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 230 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 231 |
+
CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078
|
| 232 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 233 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 234 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 235 |
+
#
|
| 236 |
+
loop_
|
| 237 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 238 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 239 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 240 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 241 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 242 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 243 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 244 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 245 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 246 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 247 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 248 |
+
_pdbx_poly_seq_scheme.hetero
|
| 249 |
+
A 1 1 G 1 1 1 G G A . n
|
| 250 |
+
A 1 2 C 2 2 2 C C A . n
|
| 251 |
+
A 1 3 C 3 3 3 C C A . n
|
| 252 |
+
A 1 4 A 4 4 4 A A A . n
|
| 253 |
+
A 1 5 C 5 5 5 C C A . n
|
| 254 |
+
A 1 6 C 6 6 6 C C A . n
|
| 255 |
+
A 1 7 C 7 7 7 C C A . n
|
| 256 |
+
A 1 8 U 8 8 8 U U A . n
|
| 257 |
+
A 1 9 G 9 9 9 G G A . n
|
| 258 |
+
B 2 1 C 1 10 10 C C B . n
|
| 259 |
+
B 2 2 A 2 11 11 A A B . n
|
| 260 |
+
B 2 3 G 3 12 12 G G B . n
|
| 261 |
+
B 2 4 G 4 13 13 G G B . n
|
| 262 |
+
B 2 5 G 5 14 14 G G B . n
|
| 263 |
+
B 2 6 U 6 15 15 U U B . n
|
| 264 |
+
B 2 7 C 7 16 16 C C B . n
|
| 265 |
+
B 2 8 G 8 17 17 G G B . n
|
| 266 |
+
B 2 9 G 9 18 18 G G B . n
|
| 267 |
+
B 2 10 C 10 19 19 C C B . n
|
| 268 |
+
#
|
| 269 |
+
loop_
|
| 270 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 271 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 272 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 273 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 274 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 275 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 276 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 277 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 278 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 279 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 280 |
+
C 3 CA 1 201 201 CA CA B .
|
| 281 |
+
D 3 CA 1 202 202 CA CA B .
|
| 282 |
+
E 4 HOH 1 102 102 HOH WAT A .
|
| 283 |
+
E 4 HOH 2 113 113 HOH WAT A .
|
| 284 |
+
E 4 HOH 3 114 114 HOH WAT A .
|
| 285 |
+
E 4 HOH 4 115 115 HOH WAT A .
|
| 286 |
+
E 4 HOH 5 123 123 HOH WAT A .
|
| 287 |
+
E 4 HOH 6 124 124 HOH WAT A .
|
| 288 |
+
E 4 HOH 7 125 125 HOH WAT A .
|
| 289 |
+
E 4 HOH 8 127 127 HOH WAT A .
|
| 290 |
+
E 4 HOH 9 128 128 HOH WAT A .
|
| 291 |
+
E 4 HOH 10 132 132 HOH WAT A .
|
| 292 |
+
E 4 HOH 11 134 134 HOH WAT A .
|
| 293 |
+
E 4 HOH 12 137 137 HOH WAT A .
|
| 294 |
+
F 4 HOH 1 101 101 HOH WAT B .
|
| 295 |
+
F 4 HOH 2 103 103 HOH WAT B .
|
| 296 |
+
F 4 HOH 3 104 104 HOH WAT B .
|
| 297 |
+
F 4 HOH 4 105 105 HOH WAT B .
|
| 298 |
+
F 4 HOH 5 106 106 HOH WAT B .
|
| 299 |
+
F 4 HOH 6 107 107 HOH WAT B .
|
| 300 |
+
F 4 HOH 7 108 108 HOH WAT B .
|
| 301 |
+
F 4 HOH 8 109 109 HOH WAT B .
|
| 302 |
+
F 4 HOH 9 110 110 HOH WAT B .
|
| 303 |
+
F 4 HOH 10 111 111 HOH WAT B .
|
| 304 |
+
F 4 HOH 11 112 112 HOH WAT B .
|
| 305 |
+
F 4 HOH 12 116 116 HOH WAT B .
|
| 306 |
+
F 4 HOH 13 117 117 HOH WAT B .
|
| 307 |
+
F 4 HOH 14 118 118 HOH WAT B .
|
| 308 |
+
F 4 HOH 15 119 119 HOH WAT B .
|
| 309 |
+
F 4 HOH 16 120 120 HOH WAT B .
|
| 310 |
+
F 4 HOH 17 121 121 HOH WAT B .
|
| 311 |
+
F 4 HOH 18 122 122 HOH WAT B .
|
| 312 |
+
F 4 HOH 19 126 126 HOH WAT B .
|
| 313 |
+
F 4 HOH 20 129 129 HOH WAT B .
|
| 314 |
+
F 4 HOH 21 130 130 HOH WAT B .
|
| 315 |
+
F 4 HOH 22 131 131 HOH WAT B .
|
| 316 |
+
F 4 HOH 23 133 133 HOH WAT B .
|
| 317 |
+
F 4 HOH 24 135 135 HOH WAT B .
|
| 318 |
+
F 4 HOH 25 136 136 HOH WAT B .
|
| 319 |
+
F 4 HOH 26 138 138 HOH WAT B .
|
| 320 |
+
#
|
| 321 |
+
loop_
|
| 322 |
+
_software.name
|
| 323 |
+
_software.classification
|
| 324 |
+
_software.version
|
| 325 |
+
_software.citation_id
|
| 326 |
+
_software.pdbx_ordinal
|
| 327 |
+
AMoRE phasing . ? 1
|
| 328 |
+
CNS refinement 0.9 ? 2
|
| 329 |
+
DENZO 'data reduction' . ? 3
|
| 330 |
+
SCALEPACK 'data scaling' . ? 4
|
| 331 |
+
#
|
| 332 |
+
_cell.entry_id 1DQF
|
| 333 |
+
_cell.length_a 57.15
|
| 334 |
+
_cell.length_b 57.15
|
| 335 |
+
_cell.length_c 43.54
|
| 336 |
+
_cell.angle_alpha 90.0
|
| 337 |
+
_cell.angle_beta 90.0
|
| 338 |
+
_cell.angle_gamma 90.0
|
| 339 |
+
_cell.Z_PDB 8
|
| 340 |
+
_cell.pdbx_unique_axis ?
|
| 341 |
+
_cell.length_a_esd ?
|
| 342 |
+
_cell.length_b_esd ?
|
| 343 |
+
_cell.length_c_esd ?
|
| 344 |
+
_cell.angle_alpha_esd ?
|
| 345 |
+
_cell.angle_beta_esd ?
|
| 346 |
+
_cell.angle_gamma_esd ?
|
| 347 |
+
#
|
| 348 |
+
_symmetry.entry_id 1DQF
|
| 349 |
+
_symmetry.space_group_name_H-M 'P 42 21 2'
|
| 350 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 351 |
+
_symmetry.cell_setting tetragonal
|
| 352 |
+
_symmetry.Int_Tables_number 94
|
| 353 |
+
_symmetry.space_group_name_Hall ?
|
| 354 |
+
#
|
| 355 |
+
_exptl.entry_id 1DQF
|
| 356 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 357 |
+
_exptl.crystals_number 1
|
| 358 |
+
#
|
| 359 |
+
_exptl_crystal.id 1
|
| 360 |
+
_exptl_crystal.density_meas ?
|
| 361 |
+
_exptl_crystal.density_percent_sol 58.21
|
| 362 |
+
_exptl_crystal.density_Matthews 2.94
|
| 363 |
+
_exptl_crystal.description ?
|
| 364 |
+
_exptl_crystal.F_000 ?
|
| 365 |
+
_exptl_crystal.preparation ?
|
| 366 |
+
#
|
| 367 |
+
_exptl_crystal_grow.crystal_id 1
|
| 368 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 369 |
+
_exptl_crystal_grow.temp 298
|
| 370 |
+
_exptl_crystal_grow.temp_details ?
|
| 371 |
+
_exptl_crystal_grow.pH 6.0
|
| 372 |
+
_exptl_crystal_grow.pdbx_details 'MGCL2, CACL2, CACODYLATE, MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K'
|
| 373 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 374 |
+
#
|
| 375 |
+
loop_
|
| 376 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 377 |
+
_exptl_crystal_grow_comp.id
|
| 378 |
+
_exptl_crystal_grow_comp.sol_id
|
| 379 |
+
_exptl_crystal_grow_comp.name
|
| 380 |
+
_exptl_crystal_grow_comp.volume
|
| 381 |
+
_exptl_crystal_grow_comp.conc
|
| 382 |
+
_exptl_crystal_grow_comp.details
|
| 383 |
+
1 1 1 MGCL2 ? ? ?
|
| 384 |
+
1 2 1 CACL2 ? ? ?
|
| 385 |
+
1 3 1 CACODYLATE ? ? ?
|
| 386 |
+
1 4 1 MPD ? ? ?
|
| 387 |
+
1 5 2 MPD ? ? ?
|
| 388 |
+
#
|
| 389 |
+
_diffrn.id 1
|
| 390 |
+
_diffrn.ambient_temp 263
|
| 391 |
+
_diffrn.ambient_temp_details ?
|
| 392 |
+
_diffrn.crystal_id 1
|
| 393 |
+
#
|
| 394 |
+
_diffrn_detector.diffrn_id 1
|
| 395 |
+
_diffrn_detector.detector 'IMAGE PLATE'
|
| 396 |
+
_diffrn_detector.type 'RIGAKU RAXIS IIC'
|
| 397 |
+
_diffrn_detector.pdbx_collection_date ?
|
| 398 |
+
_diffrn_detector.details ?
|
| 399 |
+
#
|
| 400 |
+
_diffrn_radiation.diffrn_id 1
|
| 401 |
+
_diffrn_radiation.wavelength_id 1
|
| 402 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 403 |
+
_diffrn_radiation.monochromator ?
|
| 404 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 405 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 406 |
+
#
|
| 407 |
+
_diffrn_radiation_wavelength.id 1
|
| 408 |
+
_diffrn_radiation_wavelength.wavelength 1.5418
|
| 409 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 410 |
+
#
|
| 411 |
+
_diffrn_source.diffrn_id 1
|
| 412 |
+
_diffrn_source.source 'ROTATING ANODE'
|
| 413 |
+
_diffrn_source.type 'RIGAKU RU300'
|
| 414 |
+
_diffrn_source.pdbx_synchrotron_site ?
|
| 415 |
+
_diffrn_source.pdbx_synchrotron_beamline ?
|
| 416 |
+
_diffrn_source.pdbx_wavelength 1.5418
|
| 417 |
+
_diffrn_source.pdbx_wavelength_list ?
|
| 418 |
+
#
|
| 419 |
+
_reflns.entry_id 1DQF
|
| 420 |
+
_reflns.observed_criterion_sigma_I 1.0
|
| 421 |
+
_reflns.observed_criterion_sigma_F 2.0
|
| 422 |
+
_reflns.d_resolution_low 25.57
|
| 423 |
+
_reflns.d_resolution_high 2.2
|
| 424 |
+
_reflns.number_obs 3757
|
| 425 |
+
_reflns.number_all 3962
|
| 426 |
+
_reflns.percent_possible_obs 94.8
|
| 427 |
+
_reflns.pdbx_Rmerge_I_obs 0.0770000
|
| 428 |
+
_reflns.pdbx_Rsym_value ?
|
| 429 |
+
_reflns.pdbx_netI_over_sigmaI 14
|
| 430 |
+
_reflns.B_iso_Wilson_estimate ?
|
| 431 |
+
_reflns.pdbx_redundancy 5.6
|
| 432 |
+
_reflns.R_free_details ?
|
| 433 |
+
_reflns.pdbx_chi_squared ?
|
| 434 |
+
_reflns.pdbx_scaling_rejects ?
|
| 435 |
+
_reflns.pdbx_diffrn_id 1
|
| 436 |
+
_reflns.pdbx_ordinal 1
|
| 437 |
+
#
|
| 438 |
+
_refine.entry_id 1DQF
|
| 439 |
+
_refine.ls_number_reflns_obs 3757
|
| 440 |
+
_refine.ls_number_reflns_all 3962
|
| 441 |
+
_refine.pdbx_ls_sigma_I ?
|
| 442 |
+
_refine.pdbx_ls_sigma_F 2.0
|
| 443 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 444 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 445 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 446 |
+
_refine.ls_d_res_low 10.0
|
| 447 |
+
_refine.ls_d_res_high 2.2
|
| 448 |
+
_refine.ls_percent_reflns_obs 94.9
|
| 449 |
+
_refine.ls_R_factor_obs 0.2040000
|
| 450 |
+
_refine.ls_R_factor_all ?
|
| 451 |
+
_refine.ls_R_factor_R_work 0.2040000
|
| 452 |
+
_refine.ls_R_factor_R_free 0.2210000
|
| 453 |
+
_refine.ls_R_factor_R_free_error ?
|
| 454 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 455 |
+
_refine.ls_percent_reflns_R_free 8.5
|
| 456 |
+
_refine.ls_number_reflns_R_free 404
|
| 457 |
+
_refine.ls_number_parameters ?
|
| 458 |
+
_refine.ls_number_restraints ?
|
| 459 |
+
_refine.occupancy_min ?
|
| 460 |
+
_refine.occupancy_max ?
|
| 461 |
+
_refine.B_iso_mean ?
|
| 462 |
+
_refine.aniso_B[1][1] ?
|
| 463 |
+
_refine.aniso_B[2][2] ?
|
| 464 |
+
_refine.aniso_B[3][3] ?
|
| 465 |
+
_refine.aniso_B[1][2] ?
|
| 466 |
+
_refine.aniso_B[1][3] ?
|
| 467 |
+
_refine.aniso_B[2][3] ?
|
| 468 |
+
_refine.solvent_model_details ?
|
| 469 |
+
_refine.solvent_model_param_ksol ?
|
| 470 |
+
_refine.solvent_model_param_bsol ?
|
| 471 |
+
_refine.pdbx_ls_cross_valid_method THROUGHOUT
|
| 472 |
+
_refine.details ?
|
| 473 |
+
_refine.pdbx_starting_model ?
|
| 474 |
+
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
|
| 475 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 476 |
+
_refine.pdbx_stereochemistry_target_values CNS
|
| 477 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 478 |
+
_refine.pdbx_R_Free_selection_details RANDOM
|
| 479 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 480 |
+
_refine.overall_SU_ML ?
|
| 481 |
+
_refine.overall_SU_B ?
|
| 482 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 483 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 484 |
+
_refine.pdbx_overall_ESU_R ?
|
| 485 |
+
_refine.pdbx_overall_phase_error ?
|
| 486 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 487 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 488 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 489 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 490 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 491 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 492 |
+
_refine.overall_SU_R_free ?
|
| 493 |
+
_refine.ls_wR_factor_R_free ?
|
| 494 |
+
_refine.ls_wR_factor_R_work ?
|
| 495 |
+
_refine.overall_FOM_free_R_set ?
|
| 496 |
+
_refine.overall_FOM_work_R_set ?
|
| 497 |
+
_refine.pdbx_diffrn_id 1
|
| 498 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 499 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 500 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 501 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 502 |
+
#
|
| 503 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 504 |
+
_refine_hist.cycle_id LAST
|
| 505 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 506 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 399
|
| 507 |
+
_refine_hist.pdbx_number_atoms_ligand 2
|
| 508 |
+
_refine_hist.number_atoms_solvent 38
|
| 509 |
+
_refine_hist.number_atoms_total 439
|
| 510 |
+
_refine_hist.d_res_high 2.2
|
| 511 |
+
_refine_hist.d_res_low 10.0
|
| 512 |
+
#
|
| 513 |
+
loop_
|
| 514 |
+
_refine_ls_restr.type
|
| 515 |
+
_refine_ls_restr.dev_ideal
|
| 516 |
+
_refine_ls_restr.dev_ideal_target
|
| 517 |
+
_refine_ls_restr.weight
|
| 518 |
+
_refine_ls_restr.number
|
| 519 |
+
_refine_ls_restr.pdbx_refine_id
|
| 520 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 521 |
+
c_bond_d 0.008 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 522 |
+
c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 523 |
+
c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 524 |
+
c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 525 |
+
c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 526 |
+
c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 527 |
+
c_angle_deg 1.26 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 528 |
+
c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 529 |
+
c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 530 |
+
c_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 531 |
+
c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 532 |
+
c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 533 |
+
c_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 534 |
+
c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 535 |
+
c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 536 |
+
c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 537 |
+
c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 538 |
+
c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 539 |
+
c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 540 |
+
#
|
| 541 |
+
_database_PDB_matrix.entry_id 1DQF
|
| 542 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 543 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 544 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 545 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 546 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 547 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 548 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 549 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 550 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 551 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 552 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 553 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 554 |
+
#
|
| 555 |
+
_struct.entry_id 1DQF
|
| 556 |
+
_struct.title
|
| 557 |
+
'CRYSTAL STRUCTURE OF HELIX II OF THE X. LAEVIS SOMATIC 5S RRNA WITH A CYTOSINE BULGE IN TWO CONFORMATIONS'
|
| 558 |
+
_struct.pdbx_model_details ?
|
| 559 |
+
_struct.pdbx_CASP_flag ?
|
| 560 |
+
_struct.pdbx_model_type_details ?
|
| 561 |
+
#
|
| 562 |
+
_struct_keywords.entry_id 1DQF
|
| 563 |
+
_struct_keywords.pdbx_keywords RNA
|
| 564 |
+
_struct_keywords.text 'DOUBLE HELIX, CYTOSINE BULGE, RNA'
|
| 565 |
+
#
|
| 566 |
+
loop_
|
| 567 |
+
_struct_asym.id
|
| 568 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 569 |
+
_struct_asym.pdbx_modified
|
| 570 |
+
_struct_asym.entity_id
|
| 571 |
+
_struct_asym.details
|
| 572 |
+
A N N 1 ?
|
| 573 |
+
B N N 2 ?
|
| 574 |
+
C N N 3 ?
|
| 575 |
+
D N N 3 ?
|
| 576 |
+
E N N 4 ?
|
| 577 |
+
F N N 4 ?
|
| 578 |
+
#
|
| 579 |
+
loop_
|
| 580 |
+
_struct_ref.id
|
| 581 |
+
_struct_ref.entity_id
|
| 582 |
+
_struct_ref.db_name
|
| 583 |
+
_struct_ref.db_code
|
| 584 |
+
_struct_ref.pdbx_db_accession
|
| 585 |
+
_struct_ref.pdbx_align_begin
|
| 586 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 587 |
+
_struct_ref.pdbx_db_isoform
|
| 588 |
+
1 1 PDB 1DQF 1DQF ? ? ?
|
| 589 |
+
2 2 PDB 1DQF 1DQF ? ? ?
|
| 590 |
+
#
|
| 591 |
+
loop_
|
| 592 |
+
_struct_ref_seq.align_id
|
| 593 |
+
_struct_ref_seq.ref_id
|
| 594 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 595 |
+
_struct_ref_seq.pdbx_strand_id
|
| 596 |
+
_struct_ref_seq.seq_align_beg
|
| 597 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 598 |
+
_struct_ref_seq.seq_align_end
|
| 599 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 600 |
+
_struct_ref_seq.pdbx_db_accession
|
| 601 |
+
_struct_ref_seq.db_align_beg
|
| 602 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 603 |
+
_struct_ref_seq.db_align_end
|
| 604 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 605 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 606 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 607 |
+
1 1 1DQF A 1 ? 9 ? 1DQF 1 ? 9 ? 1 9
|
| 608 |
+
2 2 1DQF B 1 ? 10 ? 1DQF 10 ? 19 ? 10 19
|
| 609 |
+
#
|
| 610 |
+
_pdbx_struct_assembly.id 1
|
| 611 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 612 |
+
_pdbx_struct_assembly.method_details ?
|
| 613 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 614 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 615 |
+
#
|
| 616 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 617 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 618 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F
|
| 619 |
+
#
|
| 620 |
+
_pdbx_struct_oper_list.id 1
|
| 621 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 622 |
+
_pdbx_struct_oper_list.name 1_555
|
| 623 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 624 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 625 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 626 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 627 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 628 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 629 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 630 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 631 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 632 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 633 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 634 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 635 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 636 |
+
#
|
| 637 |
+
_struct_biol.id 1
|
| 638 |
+
_struct_biol.pdbx_parent_biol_id ?
|
| 639 |
+
_struct_biol.details ?
|
| 640 |
+
#
|
| 641 |
+
loop_
|
| 642 |
+
_struct_conn.id
|
| 643 |
+
_struct_conn.conn_type_id
|
| 644 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 645 |
+
_struct_conn.pdbx_PDB_id
|
| 646 |
+
_struct_conn.ptnr1_label_asym_id
|
| 647 |
+
_struct_conn.ptnr1_label_comp_id
|
| 648 |
+
_struct_conn.ptnr1_label_seq_id
|
| 649 |
+
_struct_conn.ptnr1_label_atom_id
|
| 650 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 651 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 652 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 653 |
+
_struct_conn.ptnr1_symmetry
|
| 654 |
+
_struct_conn.ptnr2_label_asym_id
|
| 655 |
+
_struct_conn.ptnr2_label_comp_id
|
| 656 |
+
_struct_conn.ptnr2_label_seq_id
|
| 657 |
+
_struct_conn.ptnr2_label_atom_id
|
| 658 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 659 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 660 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 661 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 662 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 663 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 664 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 665 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 666 |
+
_struct_conn.ptnr2_symmetry
|
| 667 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 668 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 669 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 670 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 671 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 672 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 673 |
+
_struct_conn.details
|
| 674 |
+
_struct_conn.pdbx_dist_value
|
| 675 |
+
_struct_conn.pdbx_value_order
|
| 676 |
+
_struct_conn.pdbx_role
|
| 677 |
+
metalc1 metalc ? ? A U 8 OP1 ? ? ? 5_645 C CA . CA ? ? A U 8 B CA 201 1_555 ? ? ? ? ? ? ? 2.437 ? ?
|
| 678 |
+
metalc2 metalc ? ? A G 9 OP1 ? ? ? 5_645 D CA . CA ? ? A G 9 B CA 202 1_555 ? ? ? ? ? ? ? 2.166 ? ?
|
| 679 |
+
metalc3 metalc ? ? A G 9 OP1 ? ? ? 3_645 D CA . CA ? ? A G 9 B CA 202 1_555 ? ? ? ? ? ? ? 2.166 ? ?
|
| 680 |
+
metalc4 metalc ? ? B C 10 "O3'" ? ? ? 1_555 C CA . CA ? ? B C 19 B CA 201 1_555 ? ? ? ? ? ? ? 2.361 ? ?
|
| 681 |
+
metalc5 metalc ? ? B C 10 "O2'" ? ? ? 1_555 C CA . CA ? ? B C 19 B CA 201 1_555 ? ? ? ? ? ? ? 2.643 ? ?
|
| 682 |
+
metalc6 metalc ? ? B C 10 OP1 ? ? ? 1_555 D CA . CA ? ? B C 19 B CA 202 1_555 ? ? ? ? ? ? ? 2.253 ? ?
|
| 683 |
+
metalc7 metalc ? ? B C 10 OP1 ? ? ? 8_666 D CA . CA ? ? B C 19 B CA 202 1_555 ? ? ? ? ? ? ? 2.253 ? ?
|
| 684 |
+
metalc8 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 101 B CA 201 1_555 ? ? ? ? ? ? ? 2.493 ? ?
|
| 685 |
+
metalc9 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 105 B CA 201 1_555 ? ? ? ? ? ? ? 2.217 ? ?
|
| 686 |
+
metalc10 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 106 B CA 201 1_555 ? ? ? ? ? ? ? 2.323 ? ?
|
| 687 |
+
metalc11 metalc ? ? F HOH . O ? ? ? 1_555 D CA . CA ? ? B HOH 107 B CA 202 1_555 ? ? ? ? ? ? ? 2.287 ? ?
|
| 688 |
+
metalc12 metalc ? ? F HOH . O ? ? ? 8_666 D CA . CA ? ? B HOH 107 B CA 202 1_555 ? ? ? ? ? ? ? 2.287 ? ?
|
| 689 |
+
metalc13 metalc ? ? F HOH . O ? ? ? 1_555 C CA . CA ? ? B HOH 120 B CA 201 1_555 ? ? ? ? ? ? ? 2.304 ? ?
|
| 690 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 B C 10 N3 ? ? A G 1 B C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 691 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 B C 10 O2 ? ? A G 1 B C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 692 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 B C 10 N4 ? ? A G 1 B C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 693 |
+
hydrog4 hydrog ? ? A C 2 N3 ? ? ? 1_555 B G 9 N1 ? ? A C 2 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 694 |
+
hydrog5 hydrog ? ? A C 2 N4 ? ? ? 1_555 B G 9 O6 ? ? A C 2 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 695 |
+
hydrog6 hydrog ? ? A C 2 O2 ? ? ? 1_555 B G 9 N2 ? ? A C 2 B G 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 696 |
+
hydrog7 hydrog ? ? A C 3 N3 ? ? ? 1_555 B G 8 N1 ? ? A C 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 697 |
+
hydrog8 hydrog ? ? A C 3 N4 ? ? ? 1_555 B G 8 O6 ? ? A C 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 698 |
+
hydrog9 hydrog ? ? A C 3 O2 ? ? ? 1_555 B G 8 N2 ? ? A C 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 699 |
+
hydrog10 hydrog ? ? A A 4 N1 ? ? ? 1_555 B U 6 N3 ? ? A A 4 B U 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 700 |
+
hydrog11 hydrog ? ? A A 4 N6 ? ? ? 1_555 B U 6 O4 ? ? A A 4 B U 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 701 |
+
hydrog12 hydrog ? ? A C 5 N3 ? ? ? 1_555 B G 5 N1 ? ? A C 5 B G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 702 |
+
hydrog13 hydrog ? ? A C 5 N4 ? ? ? 1_555 B G 5 O6 ? ? A C 5 B G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 703 |
+
hydrog14 hydrog ? ? A C 5 O2 ? ? ? 1_555 B G 5 N2 ? ? A C 5 B G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 704 |
+
hydrog15 hydrog ? ? A C 6 N3 ? ? ? 1_555 B G 4 N1 ? ? A C 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 705 |
+
hydrog16 hydrog ? ? A C 6 N4 ? ? ? 1_555 B G 4 O6 ? ? A C 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 706 |
+
hydrog17 hydrog ? ? A C 6 O2 ? ? ? 1_555 B G 4 N2 ? ? A C 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 707 |
+
hydrog18 hydrog ? ? A C 7 N3 ? ? ? 1_555 B G 3 N1 ? ? A C 7 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 708 |
+
hydrog19 hydrog ? ? A C 7 N4 ? ? ? 1_555 B G 3 O6 ? ? A C 7 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 709 |
+
hydrog20 hydrog ? ? A C 7 O2 ? ? ? 1_555 B G 3 N2 ? ? A C 7 B G 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 710 |
+
hydrog21 hydrog ? ? A U 8 N3 ? ? ? 1_555 B A 2 N1 ? ? A U 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 711 |
+
hydrog22 hydrog ? ? A U 8 O4 ? ? ? 1_555 B A 2 N6 ? ? A U 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 712 |
+
hydrog23 hydrog ? ? A G 9 N1 ? ? ? 1_555 B C 1 N3 ? ? A G 9 B C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 713 |
+
hydrog24 hydrog ? ? A G 9 N2 ? ? ? 1_555 B C 1 O2 ? ? A G 9 B C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 714 |
+
hydrog25 hydrog ? ? A G 9 O6 ? ? ? 1_555 B C 1 N4 ? ? A G 9 B C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 715 |
+
hydrog26 hydrog ? ? B C 7 N4 ? ? ? 1_555 B G 9 O6 ? ? B C 16 B G 18 7_556 ? ? ? ? ? ? 'C-G PAIR' ? ? ?
|
| 716 |
+
hydrog27 hydrog ? ? B G 9 O6 ? ? ? 1_555 B C 7 N4 ? ? B G 18 B C 16 7_556 ? ? ? ? ? ? 'G-C PAIR' ? ? ?
|
| 717 |
+
#
|
| 718 |
+
loop_
|
| 719 |
+
_struct_conn_type.id
|
| 720 |
+
_struct_conn_type.criteria
|
| 721 |
+
_struct_conn_type.reference
|
| 722 |
+
metalc ? ?
|
| 723 |
+
hydrog ? ?
|
| 724 |
+
#
|
| 725 |
+
loop_
|
| 726 |
+
_pdbx_struct_conn_angle.id
|
| 727 |
+
_pdbx_struct_conn_angle.ptnr1_label_atom_id
|
| 728 |
+
_pdbx_struct_conn_angle.ptnr1_label_alt_id
|
| 729 |
+
_pdbx_struct_conn_angle.ptnr1_label_asym_id
|
| 730 |
+
_pdbx_struct_conn_angle.ptnr1_label_comp_id
|
| 731 |
+
_pdbx_struct_conn_angle.ptnr1_label_seq_id
|
| 732 |
+
_pdbx_struct_conn_angle.ptnr1_auth_atom_id
|
| 733 |
+
_pdbx_struct_conn_angle.ptnr1_auth_asym_id
|
| 734 |
+
_pdbx_struct_conn_angle.ptnr1_auth_comp_id
|
| 735 |
+
_pdbx_struct_conn_angle.ptnr1_auth_seq_id
|
| 736 |
+
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code
|
| 737 |
+
_pdbx_struct_conn_angle.ptnr1_symmetry
|
| 738 |
+
_pdbx_struct_conn_angle.ptnr2_label_atom_id
|
| 739 |
+
_pdbx_struct_conn_angle.ptnr2_label_alt_id
|
| 740 |
+
_pdbx_struct_conn_angle.ptnr2_label_asym_id
|
| 741 |
+
_pdbx_struct_conn_angle.ptnr2_label_comp_id
|
| 742 |
+
_pdbx_struct_conn_angle.ptnr2_label_seq_id
|
| 743 |
+
_pdbx_struct_conn_angle.ptnr2_auth_atom_id
|
| 744 |
+
_pdbx_struct_conn_angle.ptnr2_auth_asym_id
|
| 745 |
+
_pdbx_struct_conn_angle.ptnr2_auth_comp_id
|
| 746 |
+
_pdbx_struct_conn_angle.ptnr2_auth_seq_id
|
| 747 |
+
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code
|
| 748 |
+
_pdbx_struct_conn_angle.ptnr2_symmetry
|
| 749 |
+
_pdbx_struct_conn_angle.ptnr3_label_atom_id
|
| 750 |
+
_pdbx_struct_conn_angle.ptnr3_label_alt_id
|
| 751 |
+
_pdbx_struct_conn_angle.ptnr3_label_asym_id
|
| 752 |
+
_pdbx_struct_conn_angle.ptnr3_label_comp_id
|
| 753 |
+
_pdbx_struct_conn_angle.ptnr3_label_seq_id
|
| 754 |
+
_pdbx_struct_conn_angle.ptnr3_auth_atom_id
|
| 755 |
+
_pdbx_struct_conn_angle.ptnr3_auth_asym_id
|
| 756 |
+
_pdbx_struct_conn_angle.ptnr3_auth_comp_id
|
| 757 |
+
_pdbx_struct_conn_angle.ptnr3_auth_seq_id
|
| 758 |
+
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code
|
| 759 |
+
_pdbx_struct_conn_angle.ptnr3_symmetry
|
| 760 |
+
_pdbx_struct_conn_angle.value
|
| 761 |
+
_pdbx_struct_conn_angle.value_esd
|
| 762 |
+
1 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 "O3'" ? B C 10 ? B C 19 ? 1_555 100.6 ?
|
| 763 |
+
2 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 "O2'" ? B C 10 ? B C 19 ? 1_555 83.6 ?
|
| 764 |
+
3 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 "O2'" ? B C 10 ? B C 19 ? 1_555 72.1 ?
|
| 765 |
+
4 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 101 ? 1_555 91.6 ?
|
| 766 |
+
5 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 101 ? 1_555 74.9 ?
|
| 767 |
+
6 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 101 ? 1_555 145.1 ?
|
| 768 |
+
7 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 164.2 ?
|
| 769 |
+
8 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 89.7 ?
|
| 770 |
+
9 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 88.3 ?
|
| 771 |
+
10 O ? F HOH . ? B HOH 101 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 105 ? 1_555 102.8 ?
|
| 772 |
+
11 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 82.3 ?
|
| 773 |
+
12 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 143.2 ?
|
| 774 |
+
13 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 71.8 ?
|
| 775 |
+
14 O ? F HOH . ? B HOH 101 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 141.9 ?
|
| 776 |
+
15 O ? F HOH . ? B HOH 105 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 106 ? 1_555 82.2 ?
|
| 777 |
+
16 OP1 ? A U 8 ? A U 8 ? 5_645 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 101.1 ?
|
| 778 |
+
17 "O3'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 142.2 ?
|
| 779 |
+
18 "O2'" ? B C 10 ? B C 19 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 141.0 ?
|
| 780 |
+
19 O ? F HOH . ? B HOH 101 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 73.9 ?
|
| 781 |
+
20 O ? F HOH . ? B HOH 105 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 76.9 ?
|
| 782 |
+
21 O ? F HOH . ? B HOH 106 ? 1_555 CA ? C CA . ? B CA 201 ? 1_555 O ? F HOH . ? B HOH 120 ? 1_555 70.5 ?
|
| 783 |
+
22 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? A G 9 ? A G 9 ? 3_645 102.9 ?
|
| 784 |
+
23 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 1_555 90.3 ?
|
| 785 |
+
24 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 1_555 98.2 ?
|
| 786 |
+
25 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 8_666 98.2 ?
|
| 787 |
+
26 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 8_666 90.3 ?
|
| 788 |
+
27 OP1 ? B C 10 ? B C 19 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 OP1 ? B C 10 ? B C 19 ? 8_666 166.4 ?
|
| 789 |
+
28 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 168.2 ?
|
| 790 |
+
29 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 88.0 ?
|
| 791 |
+
30 OP1 ? B C 10 ? B C 19 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 83.6 ?
|
| 792 |
+
31 OP1 ? B C 10 ? B C 19 ? 8_666 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 1_555 86.1 ?
|
| 793 |
+
32 OP1 ? A G 9 ? A G 9 ? 5_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 88.0 ?
|
| 794 |
+
33 OP1 ? A G 9 ? A G 9 ? 3_645 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 168.2 ?
|
| 795 |
+
34 OP1 ? B C 10 ? B C 19 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 86.1 ?
|
| 796 |
+
35 OP1 ? B C 10 ? B C 19 ? 8_666 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 83.6 ?
|
| 797 |
+
36 O ? F HOH . ? B HOH 107 ? 1_555 CA ? D CA . ? B CA 202 ? 1_555 O ? F HOH . ? B HOH 107 ? 8_666 81.6 ?
|
| 798 |
+
#
|
| 799 |
+
loop_
|
| 800 |
+
_struct_site.id
|
| 801 |
+
_struct_site.pdbx_evidence_code
|
| 802 |
+
_struct_site.pdbx_auth_asym_id
|
| 803 |
+
_struct_site.pdbx_auth_comp_id
|
| 804 |
+
_struct_site.pdbx_auth_seq_id
|
| 805 |
+
_struct_site.pdbx_auth_ins_code
|
| 806 |
+
_struct_site.pdbx_num_residues
|
| 807 |
+
_struct_site.details
|
| 808 |
+
AC1 Software B CA 201 ? 6 'BINDING SITE FOR RESIDUE CA B 201'
|
| 809 |
+
AC2 Software B CA 202 ? 6 'BINDING SITE FOR RESIDUE CA B 202'
|
| 810 |
+
#
|
| 811 |
+
loop_
|
| 812 |
+
_struct_site_gen.id
|
| 813 |
+
_struct_site_gen.site_id
|
| 814 |
+
_struct_site_gen.pdbx_num_res
|
| 815 |
+
_struct_site_gen.label_comp_id
|
| 816 |
+
_struct_site_gen.label_asym_id
|
| 817 |
+
_struct_site_gen.label_seq_id
|
| 818 |
+
_struct_site_gen.pdbx_auth_ins_code
|
| 819 |
+
_struct_site_gen.auth_comp_id
|
| 820 |
+
_struct_site_gen.auth_asym_id
|
| 821 |
+
_struct_site_gen.auth_seq_id
|
| 822 |
+
_struct_site_gen.label_atom_id
|
| 823 |
+
_struct_site_gen.label_alt_id
|
| 824 |
+
_struct_site_gen.symmetry
|
| 825 |
+
_struct_site_gen.details
|
| 826 |
+
1 AC1 6 U A 8 ? U A 8 . ? 5_645 ?
|
| 827 |
+
2 AC1 6 C B 10 ? C B 19 . ? 1_555 ?
|
| 828 |
+
3 AC1 6 HOH F . ? HOH B 101 . ? 1_555 ?
|
| 829 |
+
4 AC1 6 HOH F . ? HOH B 105 . ? 1_555 ?
|
| 830 |
+
5 AC1 6 HOH F . ? HOH B 106 . ? 1_555 ?
|
| 831 |
+
6 AC1 6 HOH F . ? HOH B 120 . ? 1_555 ?
|
| 832 |
+
7 AC2 6 G A 9 ? G A 9 . ? 5_645 ?
|
| 833 |
+
8 AC2 6 G A 9 ? G A 9 . ? 3_645 ?
|
| 834 |
+
9 AC2 6 C B 10 ? C B 19 . ? 8_666 ?
|
| 835 |
+
10 AC2 6 C B 10 ? C B 19 . ? 1_555 ?
|
| 836 |
+
11 AC2 6 HOH F . ? HOH B 107 . ? 1_555 ?
|
| 837 |
+
12 AC2 6 HOH F . ? HOH B 107 . ? 8_666 ?
|
| 838 |
+
#
|
| 839 |
+
_pdbx_validate_planes.id 1
|
| 840 |
+
_pdbx_validate_planes.PDB_model_num 1
|
| 841 |
+
_pdbx_validate_planes.auth_comp_id G
|
| 842 |
+
_pdbx_validate_planes.auth_asym_id B
|
| 843 |
+
_pdbx_validate_planes.auth_seq_id 14
|
| 844 |
+
_pdbx_validate_planes.PDB_ins_code ?
|
| 845 |
+
_pdbx_validate_planes.label_alt_id ?
|
| 846 |
+
_pdbx_validate_planes.rmsd 0.073
|
| 847 |
+
_pdbx_validate_planes.type 'SIDE CHAIN'
|
| 848 |
+
#
|
| 849 |
+
loop_
|
| 850 |
+
_pdbx_struct_special_symmetry.id
|
| 851 |
+
_pdbx_struct_special_symmetry.PDB_model_num
|
| 852 |
+
_pdbx_struct_special_symmetry.auth_asym_id
|
| 853 |
+
_pdbx_struct_special_symmetry.auth_comp_id
|
| 854 |
+
_pdbx_struct_special_symmetry.auth_seq_id
|
| 855 |
+
_pdbx_struct_special_symmetry.PDB_ins_code
|
| 856 |
+
_pdbx_struct_special_symmetry.label_asym_id
|
| 857 |
+
_pdbx_struct_special_symmetry.label_comp_id
|
| 858 |
+
_pdbx_struct_special_symmetry.label_seq_id
|
| 859 |
+
1 1 B CA 202 ? D CA .
|
| 860 |
+
2 1 B HOH 122 ? F HOH .
|
| 861 |
+
#
|
| 862 |
+
loop_
|
| 863 |
+
_chem_comp_atom.comp_id
|
| 864 |
+
_chem_comp_atom.atom_id
|
| 865 |
+
_chem_comp_atom.type_symbol
|
| 866 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 867 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 868 |
+
_chem_comp_atom.pdbx_ordinal
|
| 869 |
+
A OP3 O N N 1
|
| 870 |
+
A P P N N 2
|
| 871 |
+
A OP1 O N N 3
|
| 872 |
+
A OP2 O N N 4
|
| 873 |
+
A "O5'" O N N 5
|
| 874 |
+
A "C5'" C N N 6
|
| 875 |
+
A "C4'" C N R 7
|
| 876 |
+
A "O4'" O N N 8
|
| 877 |
+
A "C3'" C N S 9
|
| 878 |
+
A "O3'" O N N 10
|
| 879 |
+
A "C2'" C N R 11
|
| 880 |
+
A "O2'" O N N 12
|
| 881 |
+
A "C1'" C N R 13
|
| 882 |
+
A N9 N Y N 14
|
| 883 |
+
A C8 C Y N 15
|
| 884 |
+
A N7 N Y N 16
|
| 885 |
+
A C5 C Y N 17
|
| 886 |
+
A C6 C Y N 18
|
| 887 |
+
A N6 N N N 19
|
| 888 |
+
A N1 N Y N 20
|
| 889 |
+
A C2 C Y N 21
|
| 890 |
+
A N3 N Y N 22
|
| 891 |
+
A C4 C Y N 23
|
| 892 |
+
A HOP3 H N N 24
|
| 893 |
+
A HOP2 H N N 25
|
| 894 |
+
A "H5'" H N N 26
|
| 895 |
+
A "H5''" H N N 27
|
| 896 |
+
A "H4'" H N N 28
|
| 897 |
+
A "H3'" H N N 29
|
| 898 |
+
A "HO3'" H N N 30
|
| 899 |
+
A "H2'" H N N 31
|
| 900 |
+
A "HO2'" H N N 32
|
| 901 |
+
A "H1'" H N N 33
|
| 902 |
+
A H8 H N N 34
|
| 903 |
+
A H61 H N N 35
|
| 904 |
+
A H62 H N N 36
|
| 905 |
+
A H2 H N N 37
|
| 906 |
+
C OP3 O N N 38
|
| 907 |
+
C P P N N 39
|
| 908 |
+
C OP1 O N N 40
|
| 909 |
+
C OP2 O N N 41
|
| 910 |
+
C "O5'" O N N 42
|
| 911 |
+
C "C5'" C N N 43
|
| 912 |
+
C "C4'" C N R 44
|
| 913 |
+
C "O4'" O N N 45
|
| 914 |
+
C "C3'" C N S 46
|
| 915 |
+
C "O3'" O N N 47
|
| 916 |
+
C "C2'" C N R 48
|
| 917 |
+
C "O2'" O N N 49
|
| 918 |
+
C "C1'" C N R 50
|
| 919 |
+
C N1 N N N 51
|
| 920 |
+
C C2 C N N 52
|
| 921 |
+
C O2 O N N 53
|
| 922 |
+
C N3 N N N 54
|
| 923 |
+
C C4 C N N 55
|
| 924 |
+
C N4 N N N 56
|
| 925 |
+
C C5 C N N 57
|
| 926 |
+
C C6 C N N 58
|
| 927 |
+
C HOP3 H N N 59
|
| 928 |
+
C HOP2 H N N 60
|
| 929 |
+
C "H5'" H N N 61
|
| 930 |
+
C "H5''" H N N 62
|
| 931 |
+
C "H4'" H N N 63
|
| 932 |
+
C "H3'" H N N 64
|
| 933 |
+
C "HO3'" H N N 65
|
| 934 |
+
C "H2'" H N N 66
|
| 935 |
+
C "HO2'" H N N 67
|
| 936 |
+
C "H1'" H N N 68
|
| 937 |
+
C H41 H N N 69
|
| 938 |
+
C H42 H N N 70
|
| 939 |
+
C H5 H N N 71
|
| 940 |
+
C H6 H N N 72
|
| 941 |
+
CA CA CA N N 73
|
| 942 |
+
G OP3 O N N 74
|
| 943 |
+
G P P N N 75
|
| 944 |
+
G OP1 O N N 76
|
| 945 |
+
G OP2 O N N 77
|
| 946 |
+
G "O5'" O N N 78
|
| 947 |
+
G "C5'" C N N 79
|
| 948 |
+
G "C4'" C N R 80
|
| 949 |
+
G "O4'" O N N 81
|
| 950 |
+
G "C3'" C N S 82
|
| 951 |
+
G "O3'" O N N 83
|
| 952 |
+
G "C2'" C N R 84
|
| 953 |
+
G "O2'" O N N 85
|
| 954 |
+
G "C1'" C N R 86
|
| 955 |
+
G N9 N Y N 87
|
| 956 |
+
G C8 C Y N 88
|
| 957 |
+
G N7 N Y N 89
|
| 958 |
+
G C5 C Y N 90
|
| 959 |
+
G C6 C N N 91
|
| 960 |
+
G O6 O N N 92
|
| 961 |
+
G N1 N N N 93
|
| 962 |
+
G C2 C N N 94
|
| 963 |
+
G N2 N N N 95
|
| 964 |
+
G N3 N N N 96
|
| 965 |
+
G C4 C Y N 97
|
| 966 |
+
G HOP3 H N N 98
|
| 967 |
+
G HOP2 H N N 99
|
| 968 |
+
G "H5'" H N N 100
|
| 969 |
+
G "H5''" H N N 101
|
| 970 |
+
G "H4'" H N N 102
|
| 971 |
+
G "H3'" H N N 103
|
| 972 |
+
G "HO3'" H N N 104
|
| 973 |
+
G "H2'" H N N 105
|
| 974 |
+
G "HO2'" H N N 106
|
| 975 |
+
G "H1'" H N N 107
|
| 976 |
+
G H8 H N N 108
|
| 977 |
+
G H1 H N N 109
|
| 978 |
+
G H21 H N N 110
|
| 979 |
+
G H22 H N N 111
|
| 980 |
+
HOH O O N N 112
|
| 981 |
+
HOH H1 H N N 113
|
| 982 |
+
HOH H2 H N N 114
|
| 983 |
+
U OP3 O N N 115
|
| 984 |
+
U P P N N 116
|
| 985 |
+
U OP1 O N N 117
|
| 986 |
+
U OP2 O N N 118
|
| 987 |
+
U "O5'" O N N 119
|
| 988 |
+
U "C5'" C N N 120
|
| 989 |
+
U "C4'" C N R 121
|
| 990 |
+
U "O4'" O N N 122
|
| 991 |
+
U "C3'" C N S 123
|
| 992 |
+
U "O3'" O N N 124
|
| 993 |
+
U "C2'" C N R 125
|
| 994 |
+
U "O2'" O N N 126
|
| 995 |
+
U "C1'" C N R 127
|
| 996 |
+
U N1 N N N 128
|
| 997 |
+
U C2 C N N 129
|
| 998 |
+
U O2 O N N 130
|
| 999 |
+
U N3 N N N 131
|
| 1000 |
+
U C4 C N N 132
|
| 1001 |
+
U O4 O N N 133
|
| 1002 |
+
U C5 C N N 134
|
| 1003 |
+
U C6 C N N 135
|
| 1004 |
+
U HOP3 H N N 136
|
| 1005 |
+
U HOP2 H N N 137
|
| 1006 |
+
U "H5'" H N N 138
|
| 1007 |
+
U "H5''" H N N 139
|
| 1008 |
+
U "H4'" H N N 140
|
| 1009 |
+
U "H3'" H N N 141
|
| 1010 |
+
U "HO3'" H N N 142
|
| 1011 |
+
U "H2'" H N N 143
|
| 1012 |
+
U "HO2'" H N N 144
|
| 1013 |
+
U "H1'" H N N 145
|
| 1014 |
+
U H3 H N N 146
|
| 1015 |
+
U H5 H N N 147
|
| 1016 |
+
U H6 H N N 148
|
| 1017 |
+
#
|
| 1018 |
+
loop_
|
| 1019 |
+
_chem_comp_bond.comp_id
|
| 1020 |
+
_chem_comp_bond.atom_id_1
|
| 1021 |
+
_chem_comp_bond.atom_id_2
|
| 1022 |
+
_chem_comp_bond.value_order
|
| 1023 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 1024 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 1025 |
+
_chem_comp_bond.pdbx_ordinal
|
| 1026 |
+
A OP3 P sing N N 1
|
| 1027 |
+
A OP3 HOP3 sing N N 2
|
| 1028 |
+
A P OP1 doub N N 3
|
| 1029 |
+
A P OP2 sing N N 4
|
| 1030 |
+
A P "O5'" sing N N 5
|
| 1031 |
+
A OP2 HOP2 sing N N 6
|
| 1032 |
+
A "O5'" "C5'" sing N N 7
|
| 1033 |
+
A "C5'" "C4'" sing N N 8
|
| 1034 |
+
A "C5'" "H5'" sing N N 9
|
| 1035 |
+
A "C5'" "H5''" sing N N 10
|
| 1036 |
+
A "C4'" "O4'" sing N N 11
|
| 1037 |
+
A "C4'" "C3'" sing N N 12
|
| 1038 |
+
A "C4'" "H4'" sing N N 13
|
| 1039 |
+
A "O4'" "C1'" sing N N 14
|
| 1040 |
+
A "C3'" "O3'" sing N N 15
|
| 1041 |
+
A "C3'" "C2'" sing N N 16
|
| 1042 |
+
A "C3'" "H3'" sing N N 17
|
| 1043 |
+
A "O3'" "HO3'" sing N N 18
|
| 1044 |
+
A "C2'" "O2'" sing N N 19
|
| 1045 |
+
A "C2'" "C1'" sing N N 20
|
| 1046 |
+
A "C2'" "H2'" sing N N 21
|
| 1047 |
+
A "O2'" "HO2'" sing N N 22
|
| 1048 |
+
A "C1'" N9 sing N N 23
|
| 1049 |
+
A "C1'" "H1'" sing N N 24
|
| 1050 |
+
A N9 C8 sing Y N 25
|
| 1051 |
+
A N9 C4 sing Y N 26
|
| 1052 |
+
A C8 N7 doub Y N 27
|
| 1053 |
+
A C8 H8 sing N N 28
|
| 1054 |
+
A N7 C5 sing Y N 29
|
| 1055 |
+
A C5 C6 sing Y N 30
|
| 1056 |
+
A C5 C4 doub Y N 31
|
| 1057 |
+
A C6 N6 sing N N 32
|
| 1058 |
+
A C6 N1 doub Y N 33
|
| 1059 |
+
A N6 H61 sing N N 34
|
| 1060 |
+
A N6 H62 sing N N 35
|
| 1061 |
+
A N1 C2 sing Y N 36
|
| 1062 |
+
A C2 N3 doub Y N 37
|
| 1063 |
+
A C2 H2 sing N N 38
|
| 1064 |
+
A N3 C4 sing Y N 39
|
| 1065 |
+
C OP3 P sing N N 40
|
| 1066 |
+
C OP3 HOP3 sing N N 41
|
| 1067 |
+
C P OP1 doub N N 42
|
| 1068 |
+
C P OP2 sing N N 43
|
| 1069 |
+
C P "O5'" sing N N 44
|
| 1070 |
+
C OP2 HOP2 sing N N 45
|
| 1071 |
+
C "O5'" "C5'" sing N N 46
|
| 1072 |
+
C "C5'" "C4'" sing N N 47
|
| 1073 |
+
C "C5'" "H5'" sing N N 48
|
| 1074 |
+
C "C5'" "H5''" sing N N 49
|
| 1075 |
+
C "C4'" "O4'" sing N N 50
|
| 1076 |
+
C "C4'" "C3'" sing N N 51
|
| 1077 |
+
C "C4'" "H4'" sing N N 52
|
| 1078 |
+
C "O4'" "C1'" sing N N 53
|
| 1079 |
+
C "C3'" "O3'" sing N N 54
|
| 1080 |
+
C "C3'" "C2'" sing N N 55
|
| 1081 |
+
C "C3'" "H3'" sing N N 56
|
| 1082 |
+
C "O3'" "HO3'" sing N N 57
|
| 1083 |
+
C "C2'" "O2'" sing N N 58
|
| 1084 |
+
C "C2'" "C1'" sing N N 59
|
| 1085 |
+
C "C2'" "H2'" sing N N 60
|
| 1086 |
+
C "O2'" "HO2'" sing N N 61
|
| 1087 |
+
C "C1'" N1 sing N N 62
|
| 1088 |
+
C "C1'" "H1'" sing N N 63
|
| 1089 |
+
C N1 C2 sing N N 64
|
| 1090 |
+
C N1 C6 sing N N 65
|
| 1091 |
+
C C2 O2 doub N N 66
|
| 1092 |
+
C C2 N3 sing N N 67
|
| 1093 |
+
C N3 C4 doub N N 68
|
| 1094 |
+
C C4 N4 sing N N 69
|
| 1095 |
+
C C4 C5 sing N N 70
|
| 1096 |
+
C N4 H41 sing N N 71
|
| 1097 |
+
C N4 H42 sing N N 72
|
| 1098 |
+
C C5 C6 doub N N 73
|
| 1099 |
+
C C5 H5 sing N N 74
|
| 1100 |
+
C C6 H6 sing N N 75
|
| 1101 |
+
G OP3 P sing N N 76
|
| 1102 |
+
G OP3 HOP3 sing N N 77
|
| 1103 |
+
G P OP1 doub N N 78
|
| 1104 |
+
G P OP2 sing N N 79
|
| 1105 |
+
G P "O5'" sing N N 80
|
| 1106 |
+
G OP2 HOP2 sing N N 81
|
| 1107 |
+
G "O5'" "C5'" sing N N 82
|
| 1108 |
+
G "C5'" "C4'" sing N N 83
|
| 1109 |
+
G "C5'" "H5'" sing N N 84
|
| 1110 |
+
G "C5'" "H5''" sing N N 85
|
| 1111 |
+
G "C4'" "O4'" sing N N 86
|
| 1112 |
+
G "C4'" "C3'" sing N N 87
|
| 1113 |
+
G "C4'" "H4'" sing N N 88
|
| 1114 |
+
G "O4'" "C1'" sing N N 89
|
| 1115 |
+
G "C3'" "O3'" sing N N 90
|
| 1116 |
+
G "C3'" "C2'" sing N N 91
|
| 1117 |
+
G "C3'" "H3'" sing N N 92
|
| 1118 |
+
G "O3'" "HO3'" sing N N 93
|
| 1119 |
+
G "C2'" "O2'" sing N N 94
|
| 1120 |
+
G "C2'" "C1'" sing N N 95
|
| 1121 |
+
G "C2'" "H2'" sing N N 96
|
| 1122 |
+
G "O2'" "HO2'" sing N N 97
|
| 1123 |
+
G "C1'" N9 sing N N 98
|
| 1124 |
+
G "C1'" "H1'" sing N N 99
|
| 1125 |
+
G N9 C8 sing Y N 100
|
| 1126 |
+
G N9 C4 sing Y N 101
|
| 1127 |
+
G C8 N7 doub Y N 102
|
| 1128 |
+
G C8 H8 sing N N 103
|
| 1129 |
+
G N7 C5 sing Y N 104
|
| 1130 |
+
G C5 C6 sing N N 105
|
| 1131 |
+
G C5 C4 doub Y N 106
|
| 1132 |
+
G C6 O6 doub N N 107
|
| 1133 |
+
G C6 N1 sing N N 108
|
| 1134 |
+
G N1 C2 sing N N 109
|
| 1135 |
+
G N1 H1 sing N N 110
|
| 1136 |
+
G C2 N2 sing N N 111
|
| 1137 |
+
G C2 N3 doub N N 112
|
| 1138 |
+
G N2 H21 sing N N 113
|
| 1139 |
+
G N2 H22 sing N N 114
|
| 1140 |
+
G N3 C4 sing N N 115
|
| 1141 |
+
HOH O H1 sing N N 116
|
| 1142 |
+
HOH O H2 sing N N 117
|
| 1143 |
+
U OP3 P sing N N 118
|
| 1144 |
+
U OP3 HOP3 sing N N 119
|
| 1145 |
+
U P OP1 doub N N 120
|
| 1146 |
+
U P OP2 sing N N 121
|
| 1147 |
+
U P "O5'" sing N N 122
|
| 1148 |
+
U OP2 HOP2 sing N N 123
|
| 1149 |
+
U "O5'" "C5'" sing N N 124
|
| 1150 |
+
U "C5'" "C4'" sing N N 125
|
| 1151 |
+
U "C5'" "H5'" sing N N 126
|
| 1152 |
+
U "C5'" "H5''" sing N N 127
|
| 1153 |
+
U "C4'" "O4'" sing N N 128
|
| 1154 |
+
U "C4'" "C3'" sing N N 129
|
| 1155 |
+
U "C4'" "H4'" sing N N 130
|
| 1156 |
+
U "O4'" "C1'" sing N N 131
|
| 1157 |
+
U "C3'" "O3'" sing N N 132
|
| 1158 |
+
U "C3'" "C2'" sing N N 133
|
| 1159 |
+
U "C3'" "H3'" sing N N 134
|
| 1160 |
+
U "O3'" "HO3'" sing N N 135
|
| 1161 |
+
U "C2'" "O2'" sing N N 136
|
| 1162 |
+
U "C2'" "C1'" sing N N 137
|
| 1163 |
+
U "C2'" "H2'" sing N N 138
|
| 1164 |
+
U "O2'" "HO2'" sing N N 139
|
| 1165 |
+
U "C1'" N1 sing N N 140
|
| 1166 |
+
U "C1'" "H1'" sing N N 141
|
| 1167 |
+
U N1 C2 sing N N 142
|
| 1168 |
+
U N1 C6 sing N N 143
|
| 1169 |
+
U C2 O2 doub N N 144
|
| 1170 |
+
U C2 N3 sing N N 145
|
| 1171 |
+
U N3 C4 sing N N 146
|
| 1172 |
+
U N3 H3 sing N N 147
|
| 1173 |
+
U C4 O4 doub N N 148
|
| 1174 |
+
U C4 C5 sing N N 149
|
| 1175 |
+
U C5 C6 doub N N 150
|
| 1176 |
+
U C5 H5 sing N N 151
|
| 1177 |
+
U C6 H6 sing N N 152
|
| 1178 |
+
#
|
| 1179 |
+
loop_
|
| 1180 |
+
_ndb_struct_conf_na.entry_id
|
| 1181 |
+
_ndb_struct_conf_na.feature
|
| 1182 |
+
1DQF 'double helix'
|
| 1183 |
+
1DQF 'a-form double helix'
|
| 1184 |
+
1DQF 'bulge loop'
|
| 1185 |
+
#
|
| 1186 |
+
loop_
|
| 1187 |
+
_ndb_struct_na_base_pair.model_number
|
| 1188 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1189 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1190 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1191 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1192 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1193 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1194 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1195 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1196 |
+
_ndb_struct_na_base_pair.shear
|
| 1197 |
+
_ndb_struct_na_base_pair.stretch
|
| 1198 |
+
_ndb_struct_na_base_pair.stagger
|
| 1199 |
+
_ndb_struct_na_base_pair.buckle
|
| 1200 |
+
_ndb_struct_na_base_pair.propeller
|
| 1201 |
+
_ndb_struct_na_base_pair.opening
|
| 1202 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1203 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1204 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1205 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1206 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1207 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1208 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1209 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1210 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1211 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1212 |
+
1 A G 1 1_555 B C 10 1_555 -0.448 -0.147 0.549 11.945 -12.477 1.508 1 A_G1:C19_B A 1 ? B 19 ? 19 1
|
| 1213 |
+
1 A C 2 1_555 B G 9 1_555 0.362 -0.150 0.018 10.886 -13.820 1.853 2 A_C2:G18_B A 2 ? B 18 ? 19 1
|
| 1214 |
+
1 A C 3 1_555 B G 8 1_555 0.248 -0.401 -0.144 6.954 -10.273 -0.708 3 A_C3:G17_B A 3 ? B 17 ? 19 1
|
| 1215 |
+
1 A A 4 1_555 B U 6 1_555 0.363 -0.402 0.191 7.747 -9.525 -2.155 4 A_A4:U15_B A 4 ? B 15 ? 20 1
|
| 1216 |
+
1 A C 5 1_555 B G 5 1_555 0.657 -0.634 -0.031 12.344 -14.323 -1.511 5 A_C5:G14_B A 5 ? B 14 ? 19 1
|
| 1217 |
+
1 A C 6 1_555 B G 4 1_555 0.117 -0.447 -0.088 4.483 -11.154 2.366 6 A_C6:G13_B A 6 ? B 13 ? 19 1
|
| 1218 |
+
1 A C 7 1_555 B G 3 1_555 0.247 -0.290 -0.141 3.139 -8.227 0.187 7 A_C7:G12_B A 7 ? B 12 ? 19 1
|
| 1219 |
+
1 A U 8 1_555 B A 2 1_555 -0.149 -0.385 -0.086 0.373 -12.010 2.182 8 A_U8:A11_B A 8 ? B 11 ? 20 1
|
| 1220 |
+
1 A G 9 1_555 B C 1 1_555 -0.569 -0.002 0.042 -7.880 -13.675 6.108 9 A_G9:C10_B A 9 ? B 10 ? 19 1
|
| 1221 |
+
1 B C 7 1_555 B G 9 7_556 0.163 3.099 0.198 -2.556 -3.697 64.865 10 B_C16:G18_B B 16 ? B 18 ? ? ?
|
| 1222 |
+
1 B C 7 1_555 B G 9 1_555 0.163 3.099 0.198 -2.556 -3.697 64.865 11 B_C16:G18_B B 16 ? B 18 ? ? ?
|
| 1223 |
+
#
|
| 1224 |
+
loop_
|
| 1225 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1226 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1227 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1228 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1229 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1230 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1231 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1232 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1233 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1234 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1235 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1236 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1237 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1238 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1239 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1240 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1241 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1242 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1243 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1244 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1245 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1246 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1247 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1248 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1249 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1250 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1251 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1252 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1253 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1254 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1255 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1256 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1257 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1258 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1259 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1260 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1261 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1262 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1263 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1264 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1265 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1266 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1267 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1268 |
+
1 A G 1 1_555 B C 10 1_555 A C 2 1_555 B G 9 1_555 -0.863 -1.410 3.359 0.306 2.751 35.463 -2.713 1.457 3.236 4.508 -0.501
|
| 1269 |
+
35.568 1 AA_G1C2:G18C19_BB A 1 ? B 19 ? A 2 ? B 18 ?
|
| 1270 |
+
1 A C 2 1_555 B G 9 1_555 A C 3 1_555 B G 8 1_555 0.340 -2.130 3.254 -0.404 8.196 31.661 -5.083 -0.668 2.631 14.715 0.726
|
| 1271 |
+
32.681 2 AA_C2C3:G17G18_BB A 2 ? B 18 ? A 3 ? B 17 ?
|
| 1272 |
+
1 A C 3 1_555 B G 8 1_555 A A 4 1_555 B U 6 1_555 0.385 -1.722 3.270 -4.745 6.128 38.179 -3.292 -1.126 2.903 9.252 7.164
|
| 1273 |
+
38.929 3 AA_C3A4:U15G17_BB A 3 ? B 17 ? A 4 ? B 15 ?
|
| 1274 |
+
1 A A 4 1_555 B U 6 1_555 A C 5 1_555 B G 5 1_555 0.100 -1.153 3.185 0.914 5.513 37.920 -2.412 -0.044 2.996 8.428 -1.397
|
| 1275 |
+
38.314 4 AA_A4C5:G14U15_BB A 4 ? B 15 ? A 5 ? B 14 ?
|
| 1276 |
+
1 A C 5 1_555 B G 5 1_555 A C 6 1_555 B G 4 1_555 -0.296 -1.815 3.516 -0.284 5.190 27.818 -4.947 0.539 3.135 10.676 0.585
|
| 1277 |
+
28.290 5 AA_C5C6:G13G14_BB A 5 ? B 14 ? A 6 ? B 13 ?
|
| 1278 |
+
1 A C 6 1_555 B G 4 1_555 A C 7 1_555 B G 3 1_555 -0.276 -1.805 3.361 -0.969 7.981 31.394 -4.591 0.331 2.836 14.454 1.755
|
| 1279 |
+
32.382 6 AA_C6C7:G12G13_BB A 6 ? B 13 ? A 7 ? B 12 ?
|
| 1280 |
+
1 A C 7 1_555 B G 3 1_555 A U 8 1_555 B A 2 1_555 0.518 -1.569 3.287 0.915 7.224 31.170 -4.094 -0.782 2.874 13.219 -1.675
|
| 1281 |
+
31.988 7 AA_C7U8:A11G12_BB A 7 ? B 12 ? A 8 ? B 11 ?
|
| 1282 |
+
1 A U 8 1_555 B A 2 1_555 A G 9 1_555 B C 1 1_555 0.329 -1.696 3.552 2.065 7.953 29.164 -4.891 -0.203 3.010 15.413 -4.001
|
| 1283 |
+
30.275 8 AA_U8G9:C10A11_BB A 8 ? B 11 ? A 9 ? B 10 ?
|
| 1284 |
+
#
|
| 1285 |
+
_atom_sites.entry_id 1DQF
|
| 1286 |
+
_atom_sites.fract_transf_matrix[1][1] 0.017498
|
| 1287 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1288 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1289 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1290 |
+
_atom_sites.fract_transf_matrix[2][2] 0.017498
|
| 1291 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1292 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1293 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1294 |
+
_atom_sites.fract_transf_matrix[3][3] 0.022967
|
| 1295 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1296 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1297 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1298 |
+
#
|
| 1299 |
+
loop_
|
| 1300 |
+
_atom_type.symbol
|
| 1301 |
+
C
|
| 1302 |
+
CA
|
| 1303 |
+
N
|
| 1304 |
+
O
|
| 1305 |
+
P
|
| 1306 |
+
#
|
| 1307 |
+
loop_
|
| 1308 |
+
_atom_site.group_PDB
|
| 1309 |
+
_atom_site.id
|
| 1310 |
+
_atom_site.type_symbol
|
| 1311 |
+
_atom_site.label_atom_id
|
| 1312 |
+
_atom_site.label_alt_id
|
| 1313 |
+
_atom_site.label_comp_id
|
| 1314 |
+
_atom_site.label_asym_id
|
| 1315 |
+
_atom_site.label_entity_id
|
| 1316 |
+
_atom_site.label_seq_id
|
| 1317 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1318 |
+
_atom_site.Cartn_x
|
| 1319 |
+
_atom_site.Cartn_y
|
| 1320 |
+
_atom_site.Cartn_z
|
| 1321 |
+
_atom_site.occupancy
|
| 1322 |
+
_atom_site.B_iso_or_equiv
|
| 1323 |
+
_atom_site.pdbx_formal_charge
|
| 1324 |
+
_atom_site.auth_seq_id
|
| 1325 |
+
_atom_site.auth_comp_id
|
| 1326 |
+
_atom_site.auth_asym_id
|
| 1327 |
+
_atom_site.auth_atom_id
|
| 1328 |
+
_atom_site.pdbx_PDB_model_num
|
| 1329 |
+
ATOM 1 O "O5'" . G A 1 1 ? 53.406 31.294 20.864 1.00 55.94 ? 1 G A "O5'" 1
|
| 1330 |
+
ATOM 2 C "C5'" . G A 1 1 ? 54.291 30.318 21.428 1.00 52.75 ? 1 G A "C5'" 1
|
| 1331 |
+
ATOM 3 C "C4'" . G A 1 1 ? 53.765 28.918 21.252 1.00 52.26 ? 1 G A "C4'" 1
|
| 1332 |
+
ATOM 4 O "O4'" . G A 1 1 ? 52.800 28.631 22.300 1.00 51.05 ? 1 G A "O4'" 1
|
| 1333 |
+
ATOM 5 C "C3'" . G A 1 1 ? 53.010 28.659 19.952 1.00 53.53 ? 1 G A "C3'" 1
|
| 1334 |
+
ATOM 6 O "O3'" . G A 1 1 ? 53.912 28.372 18.880 1.00 56.43 ? 1 G A "O3'" 1
|
| 1335 |
+
ATOM 7 C "C2'" . G A 1 1 ? 52.163 27.450 20.338 1.00 52.24 ? 1 G A "C2'" 1
|
| 1336 |
+
ATOM 8 O "O2'" . G A 1 1 ? 52.904 26.249 20.354 1.00 51.17 ? 1 G A "O2'" 1
|
| 1337 |
+
ATOM 9 C "C1'" . G A 1 1 ? 51.769 27.803 21.778 1.00 49.98 ? 1 G A "C1'" 1
|
| 1338 |
+
ATOM 10 N N9 . G A 1 1 ? 50.492 28.513 21.897 1.00 46.74 ? 1 G A N9 1
|
| 1339 |
+
ATOM 11 C C8 . G A 1 1 ? 50.308 29.838 22.212 1.00 45.83 ? 1 G A C8 1
|
| 1340 |
+
ATOM 12 N N7 . G A 1 1 ? 49.048 30.181 22.276 1.00 43.88 ? 1 G A N7 1
|
| 1341 |
+
ATOM 13 C C5 . G A 1 1 ? 48.358 29.015 21.981 1.00 43.01 ? 1 G A C5 1
|
| 1342 |
+
ATOM 14 C C6 . G A 1 1 ? 46.959 28.764 21.935 1.00 41.70 ? 1 G A C6 1
|
| 1343 |
+
ATOM 15 O O6 . G A 1 1 ? 46.024 29.546 22.181 1.00 39.50 ? 1 G A O6 1
|
| 1344 |
+
ATOM 16 N N1 . G A 1 1 ? 46.693 27.444 21.587 1.00 40.51 ? 1 G A N1 1
|
| 1345 |
+
ATOM 17 C C2 . G A 1 1 ? 47.651 26.487 21.339 1.00 42.48 ? 1 G A C2 1
|
| 1346 |
+
ATOM 18 N N2 . G A 1 1 ? 47.209 25.269 21.015 1.00 42.29 ? 1 G A N2 1
|
| 1347 |
+
ATOM 19 N N3 . G A 1 1 ? 48.952 26.705 21.402 1.00 42.84 ? 1 G A N3 1
|
| 1348 |
+
ATOM 20 C C4 . G A 1 1 ? 49.233 27.978 21.727 1.00 43.92 ? 1 G A C4 1
|
| 1349 |
+
ATOM 21 P P . C A 1 2 ? 53.516 28.724 17.352 1.00 58.57 ? 2 C A P 1
|
| 1350 |
+
ATOM 22 O OP1 . C A 1 2 ? 54.714 28.452 16.519 1.00 59.17 ? 2 C A OP1 1
|
| 1351 |
+
ATOM 23 O OP2 . C A 1 2 ? 52.835 30.049 17.257 1.00 58.18 ? 2 C A OP2 1
|
| 1352 |
+
ATOM 24 O "O5'" . C A 1 2 ? 52.469 27.607 16.947 1.00 59.04 ? 2 C A "O5'" 1
|
| 1353 |
+
ATOM 25 C "C5'" . C A 1 2 ? 52.902 26.309 16.583 1.00 56.85 ? 2 C A "C5'" 1
|
| 1354 |
+
ATOM 26 C "C4'" . C A 1 2 ? 51.705 25.457 16.253 1.00 56.01 ? 2 C A "C4'" 1
|
| 1355 |
+
ATOM 27 O "O4'" . C A 1 2 ? 50.845 25.399 17.433 1.00 54.13 ? 2 C A "O4'" 1
|
| 1356 |
+
ATOM 28 C "C3'" . C A 1 2 ? 50.796 26.041 15.184 1.00 55.43 ? 2 C A "C3'" 1
|
| 1357 |
+
ATOM 29 O "O3'" . C A 1 2 ? 51.253 25.745 13.866 1.00 57.27 ? 2 C A "O3'" 1
|
| 1358 |
+
ATOM 30 C "C2'" . C A 1 2 ? 49.480 25.348 15.506 1.00 54.15 ? 2 C A "C2'" 1
|
| 1359 |
+
ATOM 31 O "O2'" . C A 1 2 ? 49.494 23.993 15.101 1.00 55.27 ? 2 C A "O2'" 1
|
| 1360 |
+
ATOM 32 C "C1'" . C A 1 2 ? 49.484 25.416 17.035 1.00 50.68 ? 2 C A "C1'" 1
|
| 1361 |
+
ATOM 33 N N1 . C A 1 2 ? 48.848 26.645 17.550 1.00 46.77 ? 2 C A N1 1
|
| 1362 |
+
ATOM 34 C C2 . C A 1 2 ? 47.452 26.672 17.680 1.00 44.56 ? 2 C A C2 1
|
| 1363 |
+
ATOM 35 O O2 . C A 1 2 ? 46.811 25.655 17.401 1.00 43.80 ? 2 C A O2 1
|
| 1364 |
+
ATOM 36 N N3 . C A 1 2 ? 46.843 27.795 18.108 1.00 42.40 ? 2 C A N3 1
|
| 1365 |
+
ATOM 37 C C4 . C A 1 2 ? 47.573 28.862 18.423 1.00 42.40 ? 2 C A C4 1
|
| 1366 |
+
ATOM 38 N N4 . C A 1 2 ? 46.931 29.949 18.843 1.00 41.63 ? 2 C A N4 1
|
| 1367 |
+
ATOM 39 C C5 . C A 1 2 ? 48.998 28.861 18.319 1.00 43.54 ? 2 C A C5 1
|
| 1368 |
+
ATOM 40 C C6 . C A 1 2 ? 49.589 27.744 17.880 1.00 44.23 ? 2 C A C6 1
|
| 1369 |
+
ATOM 41 P P . C A 1 3 ? 50.964 26.787 12.665 1.00 61.37 ? 3 C A P 1
|
| 1370 |
+
ATOM 42 O OP1 . C A 1 3 ? 51.670 26.293 11.441 1.00 62.64 ? 3 C A OP1 1
|
| 1371 |
+
ATOM 43 O OP2 . C A 1 3 ? 51.255 28.155 13.182 1.00 60.26 ? 3 C A OP2 1
|
| 1372 |
+
ATOM 44 O "O5'" . C A 1 3 ? 49.393 26.701 12.404 1.00 57.32 ? 3 C A "O5'" 1
|
| 1373 |
+
ATOM 45 C "C5'" . C A 1 3 ? 48.775 25.456 12.121 1.00 54.71 ? 3 C A "C5'" 1
|
| 1374 |
+
ATOM 46 C "C4'" . C A 1 3 ? 47.265 25.577 12.186 1.00 51.42 ? 3 C A "C4'" 1
|
| 1375 |
+
ATOM 47 O "O4'" . C A 1 3 ? 46.826 25.856 13.548 1.00 48.96 ? 3 C A "O4'" 1
|
| 1376 |
+
ATOM 48 C "C3'" . C A 1 3 ? 46.624 26.698 11.392 1.00 49.64 ? 3 C A "C3'" 1
|
| 1377 |
+
ATOM 49 O "O3'" . C A 1 3 ? 46.558 26.405 10.002 1.00 50.09 ? 3 C A "O3'" 1
|
| 1378 |
+
ATOM 50 C "C2'" . C A 1 3 ? 45.236 26.738 12.025 1.00 48.10 ? 3 C A "C2'" 1
|
| 1379 |
+
ATOM 51 O "O2'" . C A 1 3 ? 44.440 25.647 11.609 1.00 48.39 ? 3 C A "O2'" 1
|
| 1380 |
+
ATOM 52 C "C1'" . C A 1 3 ? 45.575 26.536 13.502 1.00 45.82 ? 3 C A "C1'" 1
|
| 1381 |
+
ATOM 53 N N1 . C A 1 3 ? 45.676 27.794 14.256 1.00 41.30 ? 3 C A N1 1
|
| 1382 |
+
ATOM 54 C C2 . C A 1 3 ? 44.501 28.445 14.637 1.00 38.55 ? 3 C A C2 1
|
| 1383 |
+
ATOM 55 O O2 . C A 1 3 ? 43.423 27.954 14.311 1.00 37.69 ? 3 C A O2 1
|
| 1384 |
+
ATOM 56 N N3 . C A 1 3 ? 44.572 29.591 15.333 1.00 36.99 ? 3 C A N3 1
|
| 1385 |
+
ATOM 57 C C4 . C A 1 3 ? 45.768 30.111 15.631 1.00 38.14 ? 3 C A C4 1
|
| 1386 |
+
ATOM 58 N N4 . C A 1 3 ? 45.811 31.272 16.292 1.00 35.60 ? 3 C A N4 1
|
| 1387 |
+
ATOM 59 C C5 . C A 1 3 ? 46.981 29.469 15.258 1.00 39.57 ? 3 C A C5 1
|
| 1388 |
+
ATOM 60 C C6 . C A 1 3 ? 46.890 28.321 14.581 1.00 40.23 ? 3 C A C6 1
|
| 1389 |
+
ATOM 61 P P . A A 1 4 ? 46.448 27.614 8.932 1.00 52.73 ? 4 A A P 1
|
| 1390 |
+
ATOM 62 O OP1 . A A 1 4 ? 46.497 27.048 7.546 1.00 53.73 ? 4 A A OP1 1
|
| 1391 |
+
ATOM 63 O OP2 . A A 1 4 ? 47.434 28.652 9.352 1.00 48.49 ? 4 A A OP2 1
|
| 1392 |
+
ATOM 64 O "O5'" . A A 1 4 ? 44.989 28.235 9.127 1.00 51.54 ? 4 A A "O5'" 1
|
| 1393 |
+
ATOM 65 C "C5'" . A A 1 4 ? 43.820 27.549 8.681 1.00 45.68 ? 4 A A "C5'" 1
|
| 1394 |
+
ATOM 66 C "C4'" . A A 1 4 ? 42.583 28.287 9.144 1.00 43.28 ? 4 A A "C4'" 1
|
| 1395 |
+
ATOM 67 O "O4'" . A A 1 4 ? 42.699 28.516 10.571 1.00 40.05 ? 4 A A "O4'" 1
|
| 1396 |
+
ATOM 68 C "C3'" . A A 1 4 ? 42.430 29.691 8.595 1.00 44.81 ? 4 A A "C3'" 1
|
| 1397 |
+
ATOM 69 O "O3'" . A A 1 4 ? 41.831 29.691 7.311 1.00 48.28 ? 4 A A "O3'" 1
|
| 1398 |
+
ATOM 70 C "C2'" . A A 1 4 ? 41.551 30.372 9.636 1.00 42.35 ? 4 A A "C2'" 1
|
| 1399 |
+
ATOM 71 O "O2'" . A A 1 4 ? 40.170 30.122 9.486 1.00 44.17 ? 4 A A "O2'" 1
|
| 1400 |
+
ATOM 72 C "C1'" . A A 1 4 ? 42.067 29.735 10.916 1.00 36.59 ? 4 A A "C1'" 1
|
| 1401 |
+
ATOM 73 N N9 . A A 1 4 ? 43.052 30.568 11.577 1.00 32.11 ? 4 A A N9 1
|
| 1402 |
+
ATOM 74 C C8 . A A 1 4 ? 44.400 30.385 11.653 1.00 30.09 ? 4 A A C8 1
|
| 1403 |
+
ATOM 75 N N7 . A A 1 4 ? 45.008 31.292 12.381 1.00 30.15 ? 4 A A N7 1
|
| 1404 |
+
ATOM 76 C C5 . A A 1 4 ? 43.982 32.128 12.800 1.00 27.61 ? 4 A A C5 1
|
| 1405 |
+
ATOM 77 C C6 . A A 1 4 ? 43.969 33.287 13.589 1.00 28.28 ? 4 A A C6 1
|
| 1406 |
+
ATOM 78 N N6 . A A 1 4 ? 45.065 33.811 14.164 1.00 29.21 ? 4 A A N6 1
|
| 1407 |
+
ATOM 79 N N1 . A A 1 4 ? 42.782 33.903 13.780 1.00 26.38 ? 4 A A N1 1
|
| 1408 |
+
ATOM 80 C C2 . A A 1 4 ? 41.700 33.378 13.209 1.00 26.24 ? 4 A A C2 1
|
| 1409 |
+
ATOM 81 N N3 . A A 1 4 ? 41.588 32.283 12.460 1.00 27.39 ? 4 A A N3 1
|
| 1410 |
+
ATOM 82 C C4 . A A 1 4 ? 42.780 31.704 12.292 1.00 29.28 ? 4 A A C4 1
|
| 1411 |
+
ATOM 83 P P . C A 1 5 ? 42.490 30.570 6.136 1.00 49.16 ? 5 C A P 1
|
| 1412 |
+
ATOM 84 O OP1 . C A 1 5 ? 42.195 29.911 4.835 1.00 49.77 ? 5 C A OP1 1
|
| 1413 |
+
ATOM 85 O OP2 . C A 1 5 ? 43.918 30.793 6.531 1.00 50.49 ? 5 C A OP2 1
|
| 1414 |
+
ATOM 86 O "O5'" . C A 1 5 ? 41.694 31.947 6.250 1.00 43.91 ? 5 C A "O5'" 1
|
| 1415 |
+
ATOM 87 C "C5'" . C A 1 5 ? 40.274 31.962 6.303 1.00 40.74 ? 5 C A "C5'" 1
|
| 1416 |
+
ATOM 88 C "C4'" . C A 1 5 ? 39.789 33.171 7.066 1.00 40.52 ? 5 C A "C4'" 1
|
| 1417 |
+
ATOM 89 O "O4'" . C A 1 5 ? 40.212 33.083 8.451 1.00 40.02 ? 5 C A "O4'" 1
|
| 1418 |
+
ATOM 90 C "C3'" . C A 1 5 ? 40.388 34.489 6.631 1.00 42.13 ? 5 C A "C3'" 1
|
| 1419 |
+
ATOM 91 O "O3'" . C A 1 5 ? 39.759 34.995 5.477 1.00 47.37 ? 5 C A "O3'" 1
|
| 1420 |
+
ATOM 92 C "C2'" . C A 1 5 ? 40.129 35.366 7.841 1.00 38.54 ? 5 C A "C2'" 1
|
| 1421 |
+
ATOM 93 O "O2'" . C A 1 5 ? 38.764 35.720 7.921 1.00 38.86 ? 5 C A "O2'" 1
|
| 1422 |
+
ATOM 94 C "C1'" . C A 1 5 ? 40.456 34.389 8.963 1.00 36.09 ? 5 C A "C1'" 1
|
| 1423 |
+
ATOM 95 N N1 . C A 1 5 ? 41.849 34.451 9.419 1.00 29.97 ? 5 C A N1 1
|
| 1424 |
+
ATOM 96 C C2 . C A 1 5 ? 42.214 35.432 10.365 1.00 30.31 ? 5 C A C2 1
|
| 1425 |
+
ATOM 97 O O2 . C A 1 5 ? 41.357 36.255 10.738 1.00 31.26 ? 5 C A O2 1
|
| 1426 |
+
ATOM 98 N N3 . C A 1 5 ? 43.484 35.453 10.847 1.00 29.35 ? 5 C A N3 1
|
| 1427 |
+
ATOM 99 C C4 . C A 1 5 ? 44.370 34.533 10.414 1.00 30.26 ? 5 C A C4 1
|
| 1428 |
+
ATOM 100 N N4 . C A 1 5 ? 45.600 34.533 10.945 1.00 30.33 ? 5 C A N4 1
|
| 1429 |
+
ATOM 101 C C5 . C A 1 5 ? 44.025 33.555 9.423 1.00 28.49 ? 5 C A C5 1
|
| 1430 |
+
ATOM 102 C C6 . C A 1 5 ? 42.769 33.557 8.958 1.00 27.94 ? 5 C A C6 1
|
| 1431 |
+
ATOM 103 P P . C A 1 6 ? 40.593 35.943 4.483 1.00 50.05 ? 6 C A P 1
|
| 1432 |
+
ATOM 104 O OP1 . C A 1 6 ? 39.693 36.177 3.311 1.00 48.56 ? 6 C A OP1 1
|
| 1433 |
+
ATOM 105 O OP2 . C A 1 6 ? 41.928 35.288 4.269 1.00 45.72 ? 6 C A OP2 1
|
| 1434 |
+
ATOM 106 O "O5'" . C A 1 6 ? 40.717 37.306 5.310 1.00 40.32 ? 6 C A "O5'" 1
|
| 1435 |
+
ATOM 107 C "C5'" . C A 1 6 ? 39.562 38.114 5.514 1.00 34.48 ? 6 C A "C5'" 1
|
| 1436 |
+
ATOM 108 C "C4'" . C A 1 6 ? 39.875 39.307 6.391 1.00 35.36 ? 6 C A "C4'" 1
|
| 1437 |
+
ATOM 109 O "O4'" . C A 1 6 ? 40.315 38.875 7.704 1.00 36.30 ? 6 C A "O4'" 1
|
| 1438 |
+
ATOM 110 C "C3'" . C A 1 6 ? 40.989 40.230 5.943 1.00 36.15 ? 6 C A "C3'" 1
|
| 1439 |
+
ATOM 111 O "O3'" . C A 1 6 ? 40.501 41.081 4.924 1.00 40.92 ? 6 C A "O3'" 1
|
| 1440 |
+
ATOM 112 C "C2'" . C A 1 6 ? 41.293 40.965 7.241 1.00 35.09 ? 6 C A "C2'" 1
|
| 1441 |
+
ATOM 113 O "O2'" . C A 1 6 ? 40.283 41.882 7.624 1.00 34.11 ? 6 C A "O2'" 1
|
| 1442 |
+
ATOM 114 C "C1'" . C A 1 6 ? 41.257 39.801 8.226 1.00 32.85 ? 6 C A "C1'" 1
|
| 1443 |
+
ATOM 115 N N1 . C A 1 6 ? 42.558 39.125 8.346 1.00 29.44 ? 6 C A N1 1
|
| 1444 |
+
ATOM 116 C C2 . C A 1 6 ? 43.492 39.691 9.165 1.00 29.04 ? 6 C A C2 1
|
| 1445 |
+
ATOM 117 O O2 . C A 1 6 ? 43.199 40.755 9.737 1.00 32.44 ? 6 C A O2 1
|
| 1446 |
+
ATOM 118 N N3 . C A 1 6 ? 44.683 39.095 9.333 1.00 27.42 ? 6 C A N3 1
|
| 1447 |
+
ATOM 119 C C4 . C A 1 6 ? 44.949 37.950 8.702 1.00 29.88 ? 6 C A C4 1
|
| 1448 |
+
ATOM 120 N N4 . C A 1 6 ? 46.149 37.377 8.915 1.00 28.98 ? 6 C A N4 1
|
| 1449 |
+
ATOM 121 C C5 . C A 1 6 ? 44.003 37.339 7.829 1.00 28.07 ? 6 C A C5 1
|
| 1450 |
+
ATOM 122 C C6 . C A 1 6 ? 42.831 37.962 7.678 1.00 29.15 ? 6 C A C6 1
|
| 1451 |
+
ATOM 123 P P . C A 1 7 ? 41.509 41.693 3.825 1.00 42.12 ? 7 C A P 1
|
| 1452 |
+
ATOM 124 O OP1 . C A 1 7 ? 40.582 42.511 2.978 1.00 41.58 ? 7 C A OP1 1
|
| 1453 |
+
ATOM 125 O OP2 . C A 1 7 ? 42.354 40.634 3.186 1.00 37.85 ? 7 C A OP2 1
|
| 1454 |
+
ATOM 126 O "O5'" . C A 1 7 ? 42.439 42.679 4.664 1.00 35.04 ? 7 C A "O5'" 1
|
| 1455 |
+
ATOM 127 C "C5'" . C A 1 7 ? 41.931 43.939 5.050 1.00 32.59 ? 7 C A "C5'" 1
|
| 1456 |
+
ATOM 128 C "C4'" . C A 1 7 ? 42.908 44.665 5.925 1.00 30.01 ? 7 C A "C4'" 1
|
| 1457 |
+
ATOM 129 O "O4'" . C A 1 7 ? 43.251 43.821 7.043 1.00 31.32 ? 7 C A "O4'" 1
|
| 1458 |
+
ATOM 130 C "C3'" . C A 1 7 ? 44.249 45.025 5.322 1.00 30.42 ? 7 C A "C3'" 1
|
| 1459 |
+
ATOM 131 O "O3'" . C A 1 7 ? 44.123 46.208 4.533 1.00 32.04 ? 7 C A "O3'" 1
|
| 1460 |
+
ATOM 132 C "C2'" . C A 1 7 ? 45.040 45.284 6.591 1.00 29.73 ? 7 C A "C2'" 1
|
| 1461 |
+
ATOM 133 O "O2'" . C A 1 7 ? 44.566 46.470 7.178 1.00 30.37 ? 7 C A "O2'" 1
|
| 1462 |
+
ATOM 134 C "C1'" . C A 1 7 ? 44.570 44.114 7.453 1.00 30.65 ? 7 C A "C1'" 1
|
| 1463 |
+
ATOM 135 N N1 . C A 1 7 ? 45.378 42.904 7.268 1.00 28.71 ? 7 C A N1 1
|
| 1464 |
+
ATOM 136 C C2 . C A 1 7 ? 46.596 42.863 7.866 1.00 28.93 ? 7 C A C2 1
|
| 1465 |
+
ATOM 137 O O2 . C A 1 7 ? 46.982 43.880 8.460 1.00 29.81 ? 7 C A O2 1
|
| 1466 |
+
ATOM 138 N N3 . C A 1 7 ? 47.346 41.739 7.790 1.00 28.13 ? 7 C A N3 1
|
| 1467 |
+
ATOM 139 C C4 . C A 1 7 ? 46.899 40.695 7.115 1.00 29.23 ? 7 C A C4 1
|
| 1468 |
+
ATOM 140 N N4 . C A 1 7 ? 47.661 39.597 7.097 1.00 32.38 ? 7 C A N4 1
|
| 1469 |
+
ATOM 141 C C5 . C A 1 7 ? 45.651 40.723 6.434 1.00 29.38 ? 7 C A C5 1
|
| 1470 |
+
ATOM 142 C C6 . C A 1 7 ? 44.924 41.843 6.543 1.00 28.84 ? 7 C A C6 1
|
| 1471 |
+
ATOM 143 P P . U A 1 8 ? 44.913 46.336 3.133 1.00 29.80 ? 8 U A P 1
|
| 1472 |
+
ATOM 144 O OP1 . U A 1 8 ? 44.307 47.516 2.430 1.00 29.92 ? 8 U A OP1 1
|
| 1473 |
+
ATOM 145 O OP2 . U A 1 8 ? 44.932 45.008 2.451 1.00 27.76 ? 8 U A OP2 1
|
| 1474 |
+
ATOM 146 O "O5'" . U A 1 8 ? 46.403 46.662 3.601 1.00 26.78 ? 8 U A "O5'" 1
|
| 1475 |
+
ATOM 147 C "C5'" . U A 1 8 ? 46.673 47.782 4.435 1.00 26.48 ? 8 U A "C5'" 1
|
| 1476 |
+
ATOM 148 C "C4'" . U A 1 8 ? 48.034 47.659 5.079 1.00 25.76 ? 8 U A "C4'" 1
|
| 1477 |
+
ATOM 149 O "O4'" . U A 1 8 ? 48.044 46.523 5.966 1.00 28.71 ? 8 U A "O4'" 1
|
| 1478 |
+
ATOM 150 C "C3'" . U A 1 8 ? 49.210 47.363 4.167 1.00 27.52 ? 8 U A "C3'" 1
|
| 1479 |
+
ATOM 151 O "O3'" . U A 1 8 ? 49.681 48.538 3.517 1.00 28.44 ? 8 U A "O3'" 1
|
| 1480 |
+
ATOM 152 C "C2'" . U A 1 8 ? 50.238 46.892 5.175 1.00 27.67 ? 8 U A "C2'" 1
|
| 1481 |
+
ATOM 153 O "O2'" . U A 1 8 ? 50.764 48.004 5.874 1.00 26.78 ? 8 U A "O2'" 1
|
| 1482 |
+
ATOM 154 C "C1'" . U A 1 8 ? 49.376 46.034 6.103 1.00 26.09 ? 8 U A "C1'" 1
|
| 1483 |
+
ATOM 155 N N1 . U A 1 8 ? 49.393 44.613 5.721 1.00 25.51 ? 8 U A N1 1
|
| 1484 |
+
ATOM 156 C C2 . U A 1 8 ? 50.502 43.856 6.078 1.00 25.61 ? 8 U A C2 1
|
| 1485 |
+
ATOM 157 O O2 . U A 1 8 ? 51.459 44.312 6.705 1.00 26.36 ? 8 U A O2 1
|
| 1486 |
+
ATOM 158 N N3 . U A 1 8 ? 50.457 42.547 5.672 1.00 24.54 ? 8 U A N3 1
|
| 1487 |
+
ATOM 159 C C4 . U A 1 8 ? 49.446 41.928 4.953 1.00 27.07 ? 8 U A C4 1
|
| 1488 |
+
ATOM 160 O O4 . U A 1 8 ? 49.585 40.746 4.625 1.00 29.93 ? 8 U A O4 1
|
| 1489 |
+
ATOM 161 C C5 . U A 1 8 ? 48.334 42.765 4.621 1.00 24.38 ? 8 U A C5 1
|
| 1490 |
+
ATOM 162 C C6 . U A 1 8 ? 48.343 44.045 5.011 1.00 25.60 ? 8 U A C6 1
|
| 1491 |
+
ATOM 163 P P . G A 1 9 ? 50.409 48.422 2.092 1.00 29.33 ? 9 G A P 1
|
| 1492 |
+
ATOM 164 O OP1 . G A 1 9 ? 50.500 49.818 1.624 1.00 27.22 ? 9 G A OP1 1
|
| 1493 |
+
ATOM 165 O OP2 . G A 1 9 ? 49.728 47.403 1.254 1.00 27.97 ? 9 G A OP2 1
|
| 1494 |
+
ATOM 166 O "O5'" . G A 1 9 ? 51.868 47.867 2.429 1.00 29.14 ? 9 G A "O5'" 1
|
| 1495 |
+
ATOM 167 C "C5'" . G A 1 9 ? 52.750 48.630 3.244 1.00 31.36 ? 9 G A "C5'" 1
|
| 1496 |
+
ATOM 168 C "C4'" . G A 1 9 ? 53.960 47.813 3.624 1.00 33.27 ? 9 G A "C4'" 1
|
| 1497 |
+
ATOM 169 O "O4'" . G A 1 9 ? 53.524 46.622 4.321 1.00 32.52 ? 9 G A "O4'" 1
|
| 1498 |
+
ATOM 170 C "C3'" . G A 1 9 ? 54.782 47.270 2.472 1.00 35.21 ? 9 G A "C3'" 1
|
| 1499 |
+
ATOM 171 O "O3'" . G A 1 9 ? 55.661 48.242 1.899 1.00 36.14 ? 9 G A "O3'" 1
|
| 1500 |
+
ATOM 172 C "C2'" . G A 1 9 ? 55.507 46.106 3.129 1.00 34.98 ? 9 G A "C2'" 1
|
| 1501 |
+
ATOM 173 O "O2'" . G A 1 9 ? 56.598 46.530 3.916 1.00 33.78 ? 9 G A "O2'" 1
|
| 1502 |
+
ATOM 174 C "C1'" . G A 1 9 ? 54.418 45.574 4.054 1.00 32.20 ? 9 G A "C1'" 1
|
| 1503 |
+
ATOM 175 N N9 . G A 1 9 ? 53.675 44.482 3.448 1.00 31.31 ? 9 G A N9 1
|
| 1504 |
+
ATOM 176 C C8 . G A 1 9 ? 52.421 44.488 2.886 1.00 31.78 ? 9 G A C8 1
|
| 1505 |
+
ATOM 177 N N7 . G A 1 9 ? 52.038 43.298 2.484 1.00 31.47 ? 9 G A N7 1
|
| 1506 |
+
ATOM 178 C C5 . G A 1 9 ? 53.114 42.477 2.794 1.00 30.56 ? 9 G A C5 1
|
| 1507 |
+
ATOM 179 C C6 . G A 1 9 ? 53.289 41.094 2.610 1.00 31.23 ? 9 G A C6 1
|
| 1508 |
+
ATOM 180 O O6 . G A 1 9 ? 52.489 40.277 2.107 1.00 31.98 ? 9 G A O6 1
|
| 1509 |
+
ATOM 181 N N1 . G A 1 9 ? 54.547 40.672 3.071 1.00 30.04 ? 9 G A N1 1
|
| 1510 |
+
ATOM 182 C C2 . G A 1 9 ? 55.509 41.500 3.636 1.00 28.91 ? 9 G A C2 1
|
| 1511 |
+
ATOM 183 N N2 . G A 1 9 ? 56.685 40.937 4.051 1.00 26.46 ? 9 G A N2 1
|
| 1512 |
+
ATOM 184 N N3 . G A 1 9 ? 55.341 42.789 3.795 1.00 27.96 ? 9 G A N3 1
|
| 1513 |
+
ATOM 185 C C4 . G A 1 9 ? 54.136 43.202 3.366 1.00 29.79 ? 9 G A C4 1
|
| 1514 |
+
ATOM 186 O "O5'" . C B 2 1 ? 56.662 32.201 4.783 1.00 63.58 ? 10 C B "O5'" 1
|
| 1515 |
+
ATOM 187 C "C5'" . C B 2 1 ? 58.070 32.234 4.547 1.00 61.50 ? 10 C B "C5'" 1
|
| 1516 |
+
ATOM 188 C "C4'" . C B 2 1 ? 58.618 33.633 4.671 1.00 61.06 ? 10 C B "C4'" 1
|
| 1517 |
+
ATOM 189 O "O4'" . C B 2 1 ? 58.299 34.391 3.474 1.00 60.63 ? 10 C B "O4'" 1
|
| 1518 |
+
ATOM 190 C "C3'" . C B 2 1 ? 58.019 34.460 5.794 1.00 61.99 ? 10 C B "C3'" 1
|
| 1519 |
+
ATOM 191 O "O3'" . C B 2 1 ? 58.637 34.190 7.039 1.00 65.65 ? 10 C B "O3'" 1
|
| 1520 |
+
ATOM 192 C "C2'" . C B 2 1 ? 58.301 35.880 5.328 1.00 61.07 ? 10 C B "C2'" 1
|
| 1521 |
+
ATOM 193 O "O2'" . C B 2 1 ? 59.634 36.282 5.587 1.00 58.70 ? 10 C B "O2'" 1
|
| 1522 |
+
ATOM 194 C "C1'" . C B 2 1 ? 58.038 35.750 3.824 1.00 60.04 ? 10 C B "C1'" 1
|
| 1523 |
+
ATOM 195 N N1 . C B 2 1 ? 56.635 36.060 3.464 1.00 57.59 ? 10 C B N1 1
|
| 1524 |
+
ATOM 196 C C2 . C B 2 1 ? 56.239 37.408 3.310 1.00 55.20 ? 10 C B C2 1
|
| 1525 |
+
ATOM 197 O O2 . C B 2 1 ? 57.076 38.308 3.467 1.00 54.34 ? 10 C B O2 1
|
| 1526 |
+
ATOM 198 N N3 . C B 2 1 ? 54.954 37.687 2.995 1.00 53.91 ? 10 C B N3 1
|
| 1527 |
+
ATOM 199 C C4 . C B 2 1 ? 54.078 36.692 2.829 1.00 55.33 ? 10 C B C4 1
|
| 1528 |
+
ATOM 200 N N4 . C B 2 1 ? 52.823 37.011 2.518 1.00 54.41 ? 10 C B N4 1
|
| 1529 |
+
ATOM 201 C C5 . C B 2 1 ? 54.452 35.320 2.973 1.00 56.41 ? 10 C B C5 1
|
| 1530 |
+
ATOM 202 C C6 . C B 2 1 ? 55.727 35.052 3.288 1.00 56.84 ? 10 C B C6 1
|
| 1531 |
+
ATOM 203 P P . A B 2 2 ? 57.821 34.448 8.399 1.00 68.71 ? 11 A B P 1
|
| 1532 |
+
ATOM 204 O OP1 . A B 2 2 ? 58.628 33.918 9.532 1.00 71.70 ? 11 A B OP1 1
|
| 1533 |
+
ATOM 205 O OP2 . A B 2 2 ? 56.432 33.933 8.179 1.00 68.31 ? 11 A B OP2 1
|
| 1534 |
+
ATOM 206 O "O5'" . A B 2 2 ? 57.800 36.040 8.538 1.00 66.28 ? 11 A B "O5'" 1
|
| 1535 |
+
ATOM 207 C "C5'" . A B 2 2 ? 59.014 36.791 8.615 1.00 61.46 ? 11 A B "C5'" 1
|
| 1536 |
+
ATOM 208 C "C4'" . A B 2 2 ? 58.717 38.280 8.597 1.00 58.82 ? 11 A B "C4'" 1
|
| 1537 |
+
ATOM 209 O "O4'" . A B 2 2 ? 58.178 38.668 7.301 1.00 55.35 ? 11 A B "O4'" 1
|
| 1538 |
+
ATOM 210 C "C3'" . A B 2 2 ? 57.648 38.742 9.572 1.00 57.80 ? 11 A B "C3'" 1
|
| 1539 |
+
ATOM 211 O "O3'" . A B 2 2 ? 58.177 38.950 10.860 1.00 62.90 ? 11 A B "O3'" 1
|
| 1540 |
+
ATOM 212 C "C2'" . A B 2 2 ? 57.208 40.058 8.958 1.00 53.92 ? 11 A B "C2'" 1
|
| 1541 |
+
ATOM 213 O "O2'" . A B 2 2 ? 58.134 41.098 9.180 1.00 53.65 ? 11 A B "O2'" 1
|
| 1542 |
+
ATOM 214 C "C1'" . A B 2 2 ? 57.208 39.691 7.481 1.00 50.94 ? 11 A B "C1'" 1
|
| 1543 |
+
ATOM 215 N N9 . A B 2 2 ? 55.900 39.197 7.041 1.00 45.69 ? 11 A B N9 1
|
| 1544 |
+
ATOM 216 C C8 . A B 2 2 ? 55.472 37.909 6.788 1.00 43.72 ? 11 A B C8 1
|
| 1545 |
+
ATOM 217 N N7 . A B 2 2 ? 54.230 37.844 6.360 1.00 43.01 ? 11 A B N7 1
|
| 1546 |
+
ATOM 218 C C5 . A B 2 2 ? 53.821 39.180 6.329 1.00 40.03 ? 11 A B C5 1
|
| 1547 |
+
ATOM 219 C C6 . A B 2 2 ? 52.620 39.789 5.948 1.00 38.52 ? 11 A B C6 1
|
| 1548 |
+
ATOM 220 N N6 . A B 2 2 ? 51.577 39.113 5.455 1.00 38.36 ? 11 A B N6 1
|
| 1549 |
+
ATOM 221 N N1 . A B 2 2 ? 52.526 41.134 6.076 1.00 36.52 ? 11 A B N1 1
|
| 1550 |
+
ATOM 222 C C2 . A B 2 2 ? 53.579 41.806 6.541 1.00 37.12 ? 11 A B C2 1
|
| 1551 |
+
ATOM 223 N N3 . A B 2 2 ? 54.773 41.345 6.909 1.00 37.87 ? 11 A B N3 1
|
| 1552 |
+
ATOM 224 C C4 . A B 2 2 ? 54.826 40.012 6.774 1.00 40.61 ? 11 A B C4 1
|
| 1553 |
+
ATOM 225 P P . G B 2 3 ? 57.217 38.824 12.140 1.00 66.22 ? 12 G B P 1
|
| 1554 |
+
ATOM 226 O OP1 . G B 2 3 ? 58.137 38.812 13.319 1.00 67.81 ? 12 G B OP1 1
|
| 1555 |
+
ATOM 227 O OP2 . G B 2 3 ? 56.266 37.680 11.910 1.00 61.48 ? 12 G B OP2 1
|
| 1556 |
+
ATOM 228 O "O5'" . G B 2 3 ? 56.409 40.201 12.181 1.00 61.99 ? 12 G B "O5'" 1
|
| 1557 |
+
ATOM 229 C "C5'" . G B 2 3 ? 57.020 41.391 12.674 1.00 57.39 ? 12 G B "C5'" 1
|
| 1558 |
+
ATOM 230 C "C4'" . G B 2 3 ? 56.100 42.571 12.471 1.00 54.93 ? 12 G B "C4'" 1
|
| 1559 |
+
ATOM 231 O "O4'" . G B 2 3 ? 55.684 42.588 11.072 1.00 51.93 ? 12 G B "O4'" 1
|
| 1560 |
+
ATOM 232 C "C3'" . G B 2 3 ? 54.774 42.498 13.204 1.00 55.52 ? 12 G B "C3'" 1
|
| 1561 |
+
ATOM 233 O "O3'" . G B 2 3 ? 54.835 42.841 14.578 1.00 61.98 ? 12 G B "O3'" 1
|
| 1562 |
+
ATOM 234 C "C2'" . G B 2 3 ? 53.900 43.430 12.380 1.00 50.91 ? 12 G B "C2'" 1
|
| 1563 |
+
ATOM 235 O "O2'" . G B 2 3 ? 54.128 44.812 12.611 1.00 49.49 ? 12 G B "O2'" 1
|
| 1564 |
+
ATOM 236 C "C1'" . G B 2 3 ? 54.334 43.024 10.974 1.00 46.22 ? 12 G B "C1'" 1
|
| 1565 |
+
ATOM 237 N N9 . G B 2 3 ? 53.519 41.939 10.423 1.00 38.92 ? 12 G B N9 1
|
| 1566 |
+
ATOM 238 C C8 . G B 2 3 ? 53.840 40.604 10.265 1.00 36.79 ? 12 G B C8 1
|
| 1567 |
+
ATOM 239 N N7 . G B 2 3 ? 52.881 39.913 9.690 1.00 35.90 ? 12 G B N7 1
|
| 1568 |
+
ATOM 240 C C5 . G B 2 3 ? 51.876 40.853 9.451 1.00 33.31 ? 12 G B C5 1
|
| 1569 |
+
ATOM 241 C C6 . G B 2 3 ? 50.598 40.714 8.835 1.00 31.30 ? 12 G B C6 1
|
| 1570 |
+
ATOM 242 O O6 . G B 2 3 ? 50.103 39.706 8.297 1.00 29.29 ? 12 G B O6 1
|
| 1571 |
+
ATOM 243 N N1 . G B 2 3 ? 49.878 41.914 8.870 1.00 29.39 ? 12 G B N1 1
|
| 1572 |
+
ATOM 244 C C2 . G B 2 3 ? 50.339 43.100 9.414 1.00 30.58 ? 12 G B C2 1
|
| 1573 |
+
ATOM 245 N N2 . G B 2 3 ? 49.497 44.169 9.417 1.00 28.13 ? 12 G B N2 1
|
| 1574 |
+
ATOM 246 N N3 . G B 2 3 ? 51.540 43.244 9.937 1.00 32.54 ? 12 G B N3 1
|
| 1575 |
+
ATOM 247 C C4 . G B 2 3 ? 52.246 42.094 9.927 1.00 34.71 ? 12 G B C4 1
|
| 1576 |
+
ATOM 248 P P . G B 2 4 ? 53.886 42.046 15.622 1.00 67.65 ? 13 G B P 1
|
| 1577 |
+
ATOM 249 O OP1 . G B 2 4 ? 54.307 42.451 17.000 1.00 67.65 ? 13 G B OP1 1
|
| 1578 |
+
ATOM 250 O OP2 . G B 2 4 ? 53.908 40.600 15.230 1.00 64.99 ? 13 G B OP2 1
|
| 1579 |
+
ATOM 251 O "O5'" . G B 2 4 ? 52.420 42.624 15.341 1.00 62.22 ? 13 G B "O5'" 1
|
| 1580 |
+
ATOM 252 C "C5'" . G B 2 4 ? 52.184 44.035 15.361 1.00 55.55 ? 13 G B "C5'" 1
|
| 1581 |
+
ATOM 253 C "C4'" . G B 2 4 ? 50.774 44.358 14.904 1.00 52.30 ? 13 G B "C4'" 1
|
| 1582 |
+
ATOM 254 O "O4'" . G B 2 4 ? 50.593 44.007 13.503 1.00 47.45 ? 13 G B "O4'" 1
|
| 1583 |
+
ATOM 255 C "C3'" . G B 2 4 ? 49.638 43.622 15.582 1.00 52.27 ? 13 G B "C3'" 1
|
| 1584 |
+
ATOM 256 O "O3'" . G B 2 4 ? 49.383 44.141 16.889 1.00 56.89 ? 13 G B "O3'" 1
|
| 1585 |
+
ATOM 257 C "C2'" . G B 2 4 ? 48.499 43.854 14.587 1.00 49.77 ? 13 G B "C2'" 1
|
| 1586 |
+
ATOM 258 O "O2'" . G B 2 4 ? 47.947 45.163 14.613 1.00 52.25 ? 13 G B "O2'" 1
|
| 1587 |
+
ATOM 259 C "C1'" . G B 2 4 ? 49.235 43.684 13.264 1.00 43.71 ? 13 G B "C1'" 1
|
| 1588 |
+
ATOM 260 N N9 . G B 2 4 ? 49.172 42.321 12.752 1.00 38.15 ? 13 G B N9 1
|
| 1589 |
+
ATOM 261 C C8 . G B 2 4 ? 50.134 41.343 12.855 1.00 36.72 ? 13 G B C8 1
|
| 1590 |
+
ATOM 262 N N7 . G B 2 4 ? 49.796 40.230 12.257 1.00 35.44 ? 13 G B N7 1
|
| 1591 |
+
ATOM 263 C C5 . G B 2 4 ? 48.531 40.493 11.737 1.00 34.29 ? 13 G B C5 1
|
| 1592 |
+
ATOM 264 C C6 . G B 2 4 ? 47.644 39.665 10.984 1.00 34.79 ? 13 G B C6 1
|
| 1593 |
+
ATOM 265 O O6 . G B 2 4 ? 47.809 38.478 10.595 1.00 34.03 ? 13 G B O6 1
|
| 1594 |
+
ATOM 266 N N1 . G B 2 4 ? 46.456 40.340 10.681 1.00 34.45 ? 13 G B N1 1
|
| 1595 |
+
ATOM 267 C C2 . G B 2 4 ? 46.165 41.628 11.053 1.00 33.84 ? 13 G B C2 1
|
| 1596 |
+
ATOM 268 N N2 . G B 2 4 ? 44.955 42.087 10.698 1.00 35.79 ? 13 G B N2 1
|
| 1597 |
+
ATOM 269 N N3 . G B 2 4 ? 46.986 42.406 11.732 1.00 33.70 ? 13 G B N3 1
|
| 1598 |
+
ATOM 270 C C4 . G B 2 4 ? 48.134 41.778 12.045 1.00 34.92 ? 13 G B C4 1
|
| 1599 |
+
ATOM 271 P P . G B 2 5 ? 48.264 43.442 17.820 1.00 57.71 ? 14 G B P 1
|
| 1600 |
+
ATOM 272 O OP1 . G B 2 5 ? 48.288 44.093 19.159 1.00 56.86 ? 14 G B OP1 1
|
| 1601 |
+
ATOM 273 O OP2 . G B 2 5 ? 48.404 41.954 17.722 1.00 54.08 ? 14 G B OP2 1
|
| 1602 |
+
ATOM 274 O "O5'" . G B 2 5 ? 46.925 43.877 17.087 1.00 50.33 ? 14 G B "O5'" 1
|
| 1603 |
+
ATOM 275 C "C5'" . G B 2 5 ? 45.737 43.206 17.339 1.00 47.57 ? 14 G B "C5'" 1
|
| 1604 |
+
ATOM 276 C "C4'" . G B 2 5 ? 44.823 43.340 16.169 1.00 47.47 ? 14 G B "C4'" 1
|
| 1605 |
+
ATOM 277 O "O4'" . G B 2 5 ? 45.494 42.814 15.004 1.00 45.58 ? 14 G B "O4'" 1
|
| 1606 |
+
ATOM 278 C "C3'" . G B 2 5 ? 43.593 42.468 16.310 1.00 49.83 ? 14 G B "C3'" 1
|
| 1607 |
+
ATOM 279 O "O3'" . G B 2 5 ? 42.605 43.115 17.118 1.00 54.69 ? 14 G B "O3'" 1
|
| 1608 |
+
ATOM 280 C "C2'" . G B 2 5 ? 43.196 42.213 14.868 1.00 43.03 ? 14 G B "C2'" 1
|
| 1609 |
+
ATOM 281 O "O2'" . G B 2 5 ? 42.482 43.291 14.329 1.00 41.93 ? 14 G B "O2'" 1
|
| 1610 |
+
ATOM 282 C "C1'" . G B 2 5 ? 44.571 42.097 14.214 1.00 39.84 ? 14 G B "C1'" 1
|
| 1611 |
+
ATOM 283 N N9 . G B 2 5 ? 45.060 40.730 14.097 1.00 34.37 ? 14 G B N9 1
|
| 1612 |
+
ATOM 284 C C8 . G B 2 5 ? 46.273 40.227 14.518 1.00 31.07 ? 14 G B C8 1
|
| 1613 |
+
ATOM 285 N N7 . G B 2 5 ? 46.468 38.991 14.133 1.00 30.51 ? 14 G B N7 1
|
| 1614 |
+
ATOM 286 C C5 . G B 2 5 ? 45.301 38.656 13.450 1.00 29.14 ? 14 G B C5 1
|
| 1615 |
+
ATOM 287 C C6 . G B 2 5 ? 44.953 37.477 12.758 1.00 31.52 ? 14 G B C6 1
|
| 1616 |
+
ATOM 288 O O6 . G B 2 5 ? 45.649 36.464 12.569 1.00 32.07 ? 14 G B O6 1
|
| 1617 |
+
ATOM 289 N N1 . G B 2 5 ? 43.659 37.555 12.219 1.00 31.00 ? 14 G B N1 1
|
| 1618 |
+
ATOM 290 C C2 . G B 2 5 ? 42.825 38.652 12.334 1.00 31.34 ? 14 G B C2 1
|
| 1619 |
+
ATOM 291 N N2 . G B 2 5 ? 41.608 38.546 11.801 1.00 33.51 ? 14 G B N2 1
|
| 1620 |
+
ATOM 292 N N3 . G B 2 5 ? 43.163 39.771 12.937 1.00 30.29 ? 14 G B N3 1
|
| 1621 |
+
ATOM 293 C C4 . G B 2 5 ? 44.407 39.703 13.464 1.00 31.38 ? 14 G B C4 1
|
| 1622 |
+
ATOM 294 P P . U B 2 6 ? 42.096 42.397 18.475 1.00 54.59 ? 15 U B P 1
|
| 1623 |
+
ATOM 295 O OP1 . U B 2 6 ? 41.427 43.472 19.274 1.00 54.40 ? 15 U B OP1 1
|
| 1624 |
+
ATOM 296 O OP2 . U B 2 6 ? 43.245 41.635 19.067 1.00 50.17 ? 15 U B OP2 1
|
| 1625 |
+
ATOM 297 O "O5'" . U B 2 6 ? 40.995 41.355 17.960 1.00 48.89 ? 15 U B "O5'" 1
|
| 1626 |
+
ATOM 298 C "C5'" . U B 2 6 ? 39.883 41.825 17.206 1.00 47.48 ? 15 U B "C5'" 1
|
| 1627 |
+
ATOM 299 C "C4'" . U B 2 6 ? 39.242 40.692 16.455 1.00 47.32 ? 15 U B "C4'" 1
|
| 1628 |
+
ATOM 300 O "O4'" . U B 2 6 ? 40.221 40.122 15.572 1.00 45.94 ? 15 U B "O4'" 1
|
| 1629 |
+
ATOM 301 C "C3'" . U B 2 6 ? 38.795 39.520 17.309 1.00 49.31 ? 15 U B "C3'" 1
|
| 1630 |
+
ATOM 302 O "O3'" . U B 2 6 ? 37.465 39.737 17.743 1.00 53.30 ? 15 U B "O3'" 1
|
| 1631 |
+
ATOM 303 C "C2'" . U B 2 6 ? 38.791 38.363 16.323 1.00 47.73 ? 15 U B "C2'" 1
|
| 1632 |
+
ATOM 304 O "O2'" . U B 2 6 ? 37.556 38.232 15.637 1.00 52.71 ? 15 U B "O2'" 1
|
| 1633 |
+
ATOM 305 C "C1'" . U B 2 6 ? 39.913 38.763 15.364 1.00 43.57 ? 15 U B "C1'" 1
|
| 1634 |
+
ATOM 306 N N1 . U B 2 6 ? 41.141 37.986 15.509 1.00 36.25 ? 15 U B N1 1
|
| 1635 |
+
ATOM 307 C C2 . U B 2 6 ? 41.167 36.774 14.886 1.00 35.49 ? 15 U B C2 1
|
| 1636 |
+
ATOM 308 O O2 . U B 2 6 ? 40.198 36.322 14.277 1.00 34.35 ? 15 U B O2 1
|
| 1637 |
+
ATOM 309 N N3 . U B 2 6 ? 42.351 36.102 14.988 1.00 34.95 ? 15 U B N3 1
|
| 1638 |
+
ATOM 310 C C4 . U B 2 6 ? 43.479 36.521 15.648 1.00 36.03 ? 15 U B C4 1
|
| 1639 |
+
ATOM 311 O O4 . U B 2 6 ? 44.501 35.842 15.569 1.00 37.56 ? 15 U B O4 1
|
| 1640 |
+
ATOM 312 C C5 . U B 2 6 ? 43.357 37.791 16.300 1.00 35.24 ? 15 U B C5 1
|
| 1641 |
+
ATOM 313 C C6 . U B 2 6 ? 42.210 38.462 16.206 1.00 35.18 ? 15 U B C6 1
|
| 1642 |
+
ATOM 314 P P . C B 2 7 ? 37.193 40.361 19.196 1.00 54.79 ? 16 C B P 1
|
| 1643 |
+
ATOM 315 O OP1 . C B 2 7 ? 36.502 41.671 19.001 1.00 53.83 ? 16 C B OP1 1
|
| 1644 |
+
ATOM 316 O OP2 . C B 2 7 ? 38.443 40.300 20.023 1.00 50.46 ? 16 C B OP2 1
|
| 1645 |
+
ATOM 317 O "O5'" . C B 2 7 ? 36.078 39.391 19.779 1.00 53.45 ? 16 C B "O5'" 1
|
| 1646 |
+
ATOM 318 C "C5'" . C B 2 7 ? 36.284 37.995 19.895 1.00 45.03 ? 16 C B "C5'" 1
|
| 1647 |
+
ATOM 319 C "C4'" . C B 2 7 ? 35.255 37.427 20.831 1.00 40.63 ? 16 C B "C4'" 1
|
| 1648 |
+
ATOM 320 O "O4'" . C B 2 7 ? 35.219 38.276 22.007 1.00 37.75 ? 16 C B "O4'" 1
|
| 1649 |
+
ATOM 321 C "C3'" . C B 2 7 ? 33.821 37.474 20.318 1.00 39.44 ? 16 C B "C3'" 1
|
| 1650 |
+
ATOM 322 O "O3'" . C B 2 7 ? 33.515 36.286 19.588 1.00 40.72 ? 16 C B "O3'" 1
|
| 1651 |
+
ATOM 323 C "C2'" . C B 2 7 ? 33.030 37.436 21.617 1.00 38.43 ? 16 C B "C2'" 1
|
| 1652 |
+
ATOM 324 O "O2'" . C B 2 7 ? 32.973 36.108 22.119 1.00 41.34 ? 16 C B "O2'" 1
|
| 1653 |
+
ATOM 325 C "C1'" . C B 2 7 ? 33.904 38.296 22.537 1.00 36.18 ? 16 C B "C1'" 1
|
| 1654 |
+
ATOM 326 N N1 . C B 2 7 ? 33.448 39.692 22.660 1.00 31.02 ? 16 C B N1 1
|
| 1655 |
+
ATOM 327 C C2 . C B 2 7 ? 32.328 39.950 23.446 1.00 28.86 ? 16 C B C2 1
|
| 1656 |
+
ATOM 328 O O2 . C B 2 7 ? 31.819 39.021 24.069 1.00 29.76 ? 16 C B O2 1
|
| 1657 |
+
ATOM 329 N N3 . C B 2 7 ? 31.835 41.203 23.524 1.00 28.46 ? 16 C B N3 1
|
| 1658 |
+
ATOM 330 C C4 . C B 2 7 ? 32.448 42.197 22.883 1.00 29.23 ? 16 C B C4 1
|
| 1659 |
+
ATOM 331 N N4 . C B 2 7 ? 31.919 43.416 22.987 1.00 30.49 ? 16 C B N4 1
|
| 1660 |
+
ATOM 332 C C5 . C B 2 7 ? 33.626 41.981 22.105 1.00 29.55 ? 16 C B C5 1
|
| 1661 |
+
ATOM 333 C C6 . C B 2 7 ? 34.085 40.715 22.014 1.00 30.21 ? 16 C B C6 1
|
| 1662 |
+
ATOM 334 P P . G B 2 8 ? 33.591 36.276 17.984 1.00 41.36 ? 17 G B P 1
|
| 1663 |
+
ATOM 335 O OP1 . G B 2 8 ? 33.496 37.655 17.408 1.00 43.60 ? 17 G B OP1 1
|
| 1664 |
+
ATOM 336 O OP2 . G B 2 8 ? 32.574 35.262 17.620 1.00 43.37 ? 17 G B OP2 1
|
| 1665 |
+
ATOM 337 O "O5'" . G B 2 8 ? 35.050 35.708 17.674 1.00 35.23 ? 17 G B "O5'" 1
|
| 1666 |
+
ATOM 338 C "C5'" . G B 2 8 ? 35.457 34.464 18.222 1.00 30.93 ? 17 G B "C5'" 1
|
| 1667 |
+
ATOM 339 C "C4'" . G B 2 8 ? 35.762 33.471 17.127 1.00 28.88 ? 17 G B "C4'" 1
|
| 1668 |
+
ATOM 340 O "O4'" . G B 2 8 ? 36.890 33.947 16.355 1.00 30.69 ? 17 G B "O4'" 1
|
| 1669 |
+
ATOM 341 C "C3'" . G B 2 8 ? 36.227 32.114 17.620 1.00 30.04 ? 17 G B "C3'" 1
|
| 1670 |
+
ATOM 342 O "O3'" . G B 2 8 ? 35.111 31.302 17.958 1.00 30.12 ? 17 G B "O3'" 1
|
| 1671 |
+
ATOM 343 C "C2'" . G B 2 8 ? 36.966 31.569 16.410 1.00 30.24 ? 17 G B "C2'" 1
|
| 1672 |
+
ATOM 344 O "O2'" . G B 2 8 ? 36.078 31.037 15.457 1.00 30.50 ? 17 G B "O2'" 1
|
| 1673 |
+
ATOM 345 C "C1'" . G B 2 8 ? 37.620 32.839 15.857 1.00 29.12 ? 17 G B "C1'" 1
|
| 1674 |
+
ATOM 346 N N9 . G B 2 8 ? 39.007 32.982 16.276 1.00 26.82 ? 17 G B N9 1
|
| 1675 |
+
ATOM 347 C C8 . G B 2 8 ? 39.537 33.972 17.068 1.00 26.47 ? 17 G B C8 1
|
| 1676 |
+
ATOM 348 N N7 . G B 2 8 ? 40.816 33.819 17.281 1.00 25.77 ? 17 G B N7 1
|
| 1677 |
+
ATOM 349 C C5 . G B 2 8 ? 41.139 32.660 16.591 1.00 23.70 ? 17 G B C5 1
|
| 1678 |
+
ATOM 350 C C6 . G B 2 8 ? 42.355 32.009 16.477 1.00 24.66 ? 17 G B C6 1
|
| 1679 |
+
ATOM 351 O O6 . G B 2 8 ? 43.439 32.337 16.977 1.00 29.45 ? 17 G B O6 1
|
| 1680 |
+
ATOM 352 N N1 . G B 2 8 ? 42.263 30.873 15.689 1.00 21.52 ? 17 G B N1 1
|
| 1681 |
+
ATOM 353 C C2 . G B 2 8 ? 41.116 30.441 15.078 1.00 24.23 ? 17 G B C2 1
|
| 1682 |
+
ATOM 354 N N2 . G B 2 8 ? 41.211 29.331 14.323 1.00 23.25 ? 17 G B N2 1
|
| 1683 |
+
ATOM 355 N N3 . G B 2 8 ? 39.955 31.048 15.191 1.00 23.62 ? 17 G B N3 1
|
| 1684 |
+
ATOM 356 C C4 . G B 2 8 ? 40.041 32.143 15.961 1.00 23.69 ? 17 G B C4 1
|
| 1685 |
+
ATOM 357 P P . G B 2 9 ? 35.238 30.218 19.145 1.00 29.91 ? 18 G B P 1
|
| 1686 |
+
ATOM 358 O OP1 . G B 2 9 ? 33.882 29.630 19.353 1.00 25.93 ? 18 G B OP1 1
|
| 1687 |
+
ATOM 359 O OP2 . G B 2 9 ? 35.968 30.823 20.283 1.00 25.72 ? 18 G B OP2 1
|
| 1688 |
+
ATOM 360 O "O5'" . G B 2 9 ? 36.174 29.074 18.537 1.00 28.40 ? 18 G B "O5'" 1
|
| 1689 |
+
ATOM 361 C "C5'" . G B 2 9 ? 35.700 28.186 17.533 1.00 22.24 ? 18 G B "C5'" 1
|
| 1690 |
+
ATOM 362 C "C4'" . G B 2 9 ? 36.778 27.188 17.165 1.00 22.87 ? 18 G B "C4'" 1
|
| 1691 |
+
ATOM 363 O "O4'" . G B 2 9 ? 37.893 27.878 16.540 1.00 21.40 ? 18 G B "O4'" 1
|
| 1692 |
+
ATOM 364 C "C3'" . G B 2 9 ? 37.479 26.471 18.305 1.00 24.93 ? 18 G B "C3'" 1
|
| 1693 |
+
ATOM 365 O "O3'" . G B 2 9 ? 36.694 25.467 18.922 1.00 24.10 ? 18 G B "O3'" 1
|
| 1694 |
+
ATOM 366 C "C2'" . G B 2 9 ? 38.718 25.927 17.604 1.00 20.45 ? 18 G B "C2'" 1
|
| 1695 |
+
ATOM 367 O "O2'" . G B 2 9 ? 38.371 24.900 16.731 1.00 25.19 ? 18 G B "O2'" 1
|
| 1696 |
+
ATOM 368 C "C1'" . G B 2 9 ? 39.093 27.120 16.742 1.00 21.40 ? 18 G B "C1'" 1
|
| 1697 |
+
ATOM 369 N N9 . G B 2 9 ? 40.075 27.955 17.429 1.00 22.27 ? 18 G B N9 1
|
| 1698 |
+
ATOM 370 C C8 . G B 2 9 ? 39.848 29.135 18.096 1.00 23.18 ? 18 G B C8 1
|
| 1699 |
+
ATOM 371 N N7 . G B 2 9 ? 40.937 29.644 18.618 1.00 23.48 ? 18 G B N7 1
|
| 1700 |
+
ATOM 372 C C5 . G B 2 9 ? 41.938 28.750 18.262 1.00 21.77 ? 18 G B C5 1
|
| 1701 |
+
ATOM 373 C C6 . G B 2 9 ? 43.332 28.783 18.528 1.00 23.27 ? 18 G B C6 1
|
| 1702 |
+
ATOM 374 O O6 . G B 2 9 ? 43.972 29.627 19.171 1.00 23.79 ? 18 G B O6 1
|
| 1703 |
+
ATOM 375 N N1 . G B 2 9 ? 43.988 27.684 17.969 1.00 23.95 ? 18 G B N1 1
|
| 1704 |
+
ATOM 376 C C2 . G B 2 9 ? 43.366 26.687 17.258 1.00 23.28 ? 18 G B C2 1
|
| 1705 |
+
ATOM 377 N N2 . G B 2 9 ? 44.149 25.709 16.784 1.00 23.07 ? 18 G B N2 1
|
| 1706 |
+
ATOM 378 N N3 . G B 2 9 ? 42.061 26.647 17.020 1.00 22.27 ? 18 G B N3 1
|
| 1707 |
+
ATOM 379 C C4 . G B 2 9 ? 41.420 27.700 17.539 1.00 21.29 ? 18 G B C4 1
|
| 1708 |
+
ATOM 380 P P . C B 2 10 ? 36.909 25.167 20.495 1.00 24.47 ? 19 C B P 1
|
| 1709 |
+
ATOM 381 O OP1 . C B 2 10 ? 35.893 24.197 20.944 1.00 22.24 ? 19 C B OP1 1
|
| 1710 |
+
ATOM 382 O OP2 . C B 2 10 ? 37.021 26.465 21.207 1.00 25.18 ? 19 C B OP2 1
|
| 1711 |
+
ATOM 383 O "O5'" . C B 2 10 ? 38.339 24.457 20.520 1.00 25.50 ? 19 C B "O5'" 1
|
| 1712 |
+
ATOM 384 C "C5'" . C B 2 10 ? 38.584 23.262 19.766 1.00 23.83 ? 19 C B "C5'" 1
|
| 1713 |
+
ATOM 385 C "C4'" . C B 2 10 ? 40.074 22.949 19.712 1.00 23.44 ? 19 C B "C4'" 1
|
| 1714 |
+
ATOM 386 O "O4'" . C B 2 10 ? 40.773 24.102 19.182 1.00 25.71 ? 19 C B "O4'" 1
|
| 1715 |
+
ATOM 387 C "C3'" . C B 2 10 ? 40.777 22.736 21.040 1.00 25.18 ? 19 C B "C3'" 1
|
| 1716 |
+
ATOM 388 O "O3'" . C B 2 10 ? 40.543 21.559 21.792 1.00 24.68 ? 19 C B "O3'" 1
|
| 1717 |
+
ATOM 389 C "C2'" . C B 2 10 ? 42.230 22.983 20.677 1.00 26.89 ? 19 C B "C2'" 1
|
| 1718 |
+
ATOM 390 O "O2'" . C B 2 10 ? 42.861 21.935 20.000 1.00 30.09 ? 19 C B "O2'" 1
|
| 1719 |
+
ATOM 391 C "C1'" . C B 2 10 ? 42.088 24.147 19.711 1.00 26.03 ? 19 C B "C1'" 1
|
| 1720 |
+
ATOM 392 N N1 . C B 2 10 ? 42.295 25.415 20.424 1.00 26.20 ? 19 C B N1 1
|
| 1721 |
+
ATOM 393 C C2 . C B 2 10 ? 43.603 25.764 20.749 1.00 27.17 ? 19 C B C2 1
|
| 1722 |
+
ATOM 394 O O2 . C B 2 10 ? 44.526 25.028 20.345 1.00 27.21 ? 19 C B O2 1
|
| 1723 |
+
ATOM 395 N N3 . C B 2 10 ? 43.834 26.893 21.465 1.00 25.34 ? 19 C B N3 1
|
| 1724 |
+
ATOM 396 C C4 . C B 2 10 ? 42.808 27.672 21.817 1.00 26.21 ? 19 C B C4 1
|
| 1725 |
+
ATOM 397 N N4 . C B 2 10 ? 43.071 28.776 22.539 1.00 26.93 ? 19 C B N4 1
|
| 1726 |
+
ATOM 398 C C5 . C B 2 10 ? 41.465 27.357 21.456 1.00 24.09 ? 19 C B C5 1
|
| 1727 |
+
ATOM 399 C C6 . C B 2 10 ? 41.257 26.229 20.771 1.00 25.26 ? 19 C B C6 1
|
| 1728 |
+
HETATM 400 CA CA . CA C 3 . ? 42.151 19.860 21.475 1.00 31.11 ? 201 CA B CA 1
|
| 1729 |
+
HETATM 401 CA CA . CA D 3 . ? 34.612 22.538 21.770 0.5 27.70 ? 202 CA B CA 1
|
| 1730 |
+
HETATM 402 O O . HOH E 4 . ? 47.005 46.444 8.986 1.00 52.02 ? 102 HOH A O 1
|
| 1731 |
+
HETATM 403 O O . HOH E 4 . ? 48.528 32.077 16.026 1.00 60.54 ? 113 HOH A O 1
|
| 1732 |
+
HETATM 404 O O . HOH E 4 . ? 58.309 48.703 3.236 1.00 41.07 ? 114 HOH A O 1
|
| 1733 |
+
HETATM 405 O O . HOH E 4 . ? 52.515 46.407 7.497 1.00 52.58 ? 115 HOH A O 1
|
| 1734 |
+
HETATM 406 O O . HOH E 4 . ? 54.116 30.478 14.359 1.00 65.65 ? 123 HOH A O 1
|
| 1735 |
+
HETATM 407 O O . HOH E 4 . ? 57.783 43.598 5.000 1.00 58.02 ? 124 HOH A O 1
|
| 1736 |
+
HETATM 408 O O . HOH E 4 . ? 46.543 35.356 7.461 1.00 51.99 ? 125 HOH A O 1
|
| 1737 |
+
HETATM 409 O O . HOH E 4 . ? 51.692 22.980 12.272 1.00 59.71 ? 127 HOH A O 1
|
| 1738 |
+
HETATM 410 O O . HOH E 4 . ? 45.905 48.979 8.362 1.00 60.13 ? 128 HOH A O 1
|
| 1739 |
+
HETATM 411 O O . HOH E 4 . ? 43.759 27.496 0.753 1.00 51.58 ? 132 HOH A O 1
|
| 1740 |
+
HETATM 412 O O . HOH E 4 . ? 47.780 39.493 3.274 1.00 50.01 ? 134 HOH A O 1
|
| 1741 |
+
HETATM 413 O O . HOH E 4 . ? 38.794 37.712 10.046 1.00 57.85 ? 137 HOH A O 1
|
| 1742 |
+
HETATM 414 O O . HOH F 4 . ? 40.267 18.755 22.676 1.00 38.54 ? 101 HOH B O 1
|
| 1743 |
+
HETATM 415 O O . HOH F 4 . ? 38.171 29.113 21.195 1.00 25.28 ? 103 HOH B O 1
|
| 1744 |
+
HETATM 416 O O . HOH F 4 . ? 41.289 36.018 18.603 1.00 40.66 ? 104 HOH B O 1
|
| 1745 |
+
HETATM 417 O O . HOH F 4 . ? 43.357 20.710 23.130 1.00 23.41 ? 105 HOH B O 1
|
| 1746 |
+
HETATM 418 O O . HOH F 4 . ? 44.253 19.431 20.585 1.00 32.49 ? 106 HOH B O 1
|
| 1747 |
+
HETATM 419 O O . HOH F 4 . ? 33.812 24.186 23.139 1.00 28.96 ? 107 HOH B O 1
|
| 1748 |
+
HETATM 420 O O . HOH F 4 . ? 34.244 38.104 15.067 1.00 53.53 ? 108 HOH B O 1
|
| 1749 |
+
HETATM 421 O O . HOH F 4 . ? 41.299 30.930 24.241 1.00 40.97 ? 109 HOH B O 1
|
| 1750 |
+
HETATM 422 O O . HOH F 4 . ? 44.294 34.317 18.444 1.00 41.87 ? 110 HOH B O 1
|
| 1751 |
+
HETATM 423 O O . HOH F 4 . ? 39.488 30.285 22.974 1.00 45.84 ? 111 HOH B O 1
|
| 1752 |
+
HETATM 424 O O . HOH F 4 . ? 41.278 33.676 25.454 1.00 56.60 ? 112 HOH B O 1
|
| 1753 |
+
HETATM 425 O O . HOH F 4 . ? 43.045 37.292 19.959 1.00 59.27 ? 116 HOH B O 1
|
| 1754 |
+
HETATM 426 O O . HOH F 4 . ? 43.531 32.124 25.004 1.00 48.22 ? 117 HOH B O 1
|
| 1755 |
+
HETATM 427 O O . HOH F 4 . ? 41.238 21.698 16.401 1.00 59.09 ? 118 HOH B O 1
|
| 1756 |
+
HETATM 428 O O . HOH F 4 . ? 35.054 22.998 17.469 1.00 40.95 ? 119 HOH B O 1
|
| 1757 |
+
HETATM 429 O O . HOH F 4 . ? 43.045 17.990 22.481 1.00 47.26 ? 120 HOH B O 1
|
| 1758 |
+
HETATM 430 O O . HOH F 4 . ? 43.747 44.583 20.050 1.00 59.21 ? 121 HOH B O 1
|
| 1759 |
+
HETATM 431 O O . HOH F 4 . ? 40.428 40.428 21.770 0.5 34.46 ? 122 HOH B O 1
|
| 1760 |
+
HETATM 432 O O . HOH F 4 . ? 45.954 43.802 21.255 1.00 52.63 ? 126 HOH B O 1
|
| 1761 |
+
HETATM 433 O O . HOH F 4 . ? 39.380 42.583 21.731 1.00 55.59 ? 129 HOH B O 1
|
| 1762 |
+
HETATM 434 O O . HOH F 4 . ? 59.974 31.313 9.878 1.00 57.85 ? 130 HOH B O 1
|
| 1763 |
+
HETATM 435 O O . HOH F 4 . ? 59.909 39.044 3.972 1.00 47.22 ? 131 HOH B O 1
|
| 1764 |
+
HETATM 436 O O . HOH F 4 . ? 31.001 34.005 19.198 1.00 54.14 ? 133 HOH B O 1
|
| 1765 |
+
HETATM 437 O O . HOH F 4 . ? 60.308 40.376 10.475 1.00 68.93 ? 135 HOH B O 1
|
| 1766 |
+
HETATM 438 O O . HOH F 4 . ? 50.993 37.661 12.345 1.00 56.93 ? 136 HOH B O 1
|
| 1767 |
+
HETATM 439 O O . HOH F 4 . ? 49.102 38.637 15.273 1.00 55.08 ? 138 HOH B O 1
|
| 1768 |
+
#
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