Add files using upload-large-folder tool
Browse files- structures/1efo.cif +1537 -0
- structures/1egk.cif +0 -0
- structures/1lmv.cif +0 -0
- structures/1nta.cif +0 -0
- structures/1yyk.cif +0 -0
- structures/2g5k.cif +0 -0
- structures/2gbh.cif +0 -0
- structures/2i91.cif +0 -0
- structures/2pcv.cif +0 -0
- structures/3j5y.cif +0 -0
- structures/4jng.cif +0 -0
- structures/5gam.cif +0 -0
- structures/5ndh.cif +0 -0
- structures/6u7y.cif +0 -0
- structures/6uc7.cif +0 -0
- structures/7aoe.cif +0 -0
- structures/7cxn.cif +0 -0
- structures/7jrs.cif +0 -0
- structures/7oav.cif +0 -0
- structures/7ol0.cif +0 -0
- structures/7qiy.cif +0 -0
- structures/8e3h.cif +0 -0
- structures/8eex.cif +0 -0
- structures/8psz.cif +0 -0
- structures/8te2.cif +0 -0
- structures/8u5t.cif +0 -0
- structures/8wt9.cif +0 -0
- structures/9f20.cif +0 -0
- structures/9fda.cif +0 -0
- structures/9h3m.cif +0 -0
structures/1efo.cif
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|
| 1 |
+
data_1EFO
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1EFO
|
| 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 1EFO pdb_00001efo 10.2210/pdb1efo/pdb
|
| 15 |
+
NDB AH0010 ? ?
|
| 16 |
+
RCSB RCSB010531 ? ?
|
| 17 |
+
WWPDB D_1000010531 ? ?
|
| 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 2000-05-29
|
| 26 |
+
2 'Structure model' 1 1 2008-04-27
|
| 27 |
+
3 'Structure model' 1 2 2011-07-13
|
| 28 |
+
4 'Structure model' 1 3 2017-10-04
|
| 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' 'Refinement description'
|
| 47 |
+
4 5 'Structure model' 'Data collection'
|
| 48 |
+
5 5 'Structure model' 'Database references'
|
| 49 |
+
#
|
| 50 |
+
loop_
|
| 51 |
+
_pdbx_audit_revision_category.ordinal
|
| 52 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 53 |
+
_pdbx_audit_revision_category.data_content_type
|
| 54 |
+
_pdbx_audit_revision_category.category
|
| 55 |
+
1 4 'Structure model' software
|
| 56 |
+
2 5 'Structure model' chem_comp_atom
|
| 57 |
+
3 5 'Structure model' chem_comp_bond
|
| 58 |
+
4 5 'Structure model' database_2
|
| 59 |
+
#
|
| 60 |
+
loop_
|
| 61 |
+
_pdbx_audit_revision_item.ordinal
|
| 62 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 63 |
+
_pdbx_audit_revision_item.data_content_type
|
| 64 |
+
_pdbx_audit_revision_item.item
|
| 65 |
+
1 5 'Structure model' '_database_2.pdbx_DOI'
|
| 66 |
+
2 5 'Structure model' '_database_2.pdbx_database_accession'
|
| 67 |
+
#
|
| 68 |
+
_pdbx_database_status.status_code REL
|
| 69 |
+
_pdbx_database_status.entry_id 1EFO
|
| 70 |
+
_pdbx_database_status.recvd_initial_deposition_date 2000-02-09
|
| 71 |
+
_pdbx_database_status.deposit_site RCSB
|
| 72 |
+
_pdbx_database_status.process_site RCSB
|
| 73 |
+
_pdbx_database_status.status_code_sf REL
|
| 74 |
+
_pdbx_database_status.SG_entry .
|
| 75 |
+
_pdbx_database_status.status_code_mr ?
|
| 76 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 77 |
+
_pdbx_database_status.status_code_cs ?
|
| 78 |
+
_pdbx_database_status.methods_development_category ?
|
| 79 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 80 |
+
#
|
| 81 |
+
loop_
|
| 82 |
+
_audit_author.name
|
| 83 |
+
_audit_author.pdbx_ordinal
|
| 84 |
+
'Sudarsanakumar, C.' 1
|
| 85 |
+
'Xiong, Y.' 2
|
| 86 |
+
'Sundaralingam, M.' 3
|
| 87 |
+
#
|
| 88 |
+
_citation.id primary
|
| 89 |
+
_citation.title
|
| 90 |
+
'Crystal structure of an adenine bulge in the RNA chain of a DNA.RNA hybrid, d(CTCCTCTTC).r(gaagagagag).'
|
| 91 |
+
_citation.journal_abbrev J.Mol.Biol.
|
| 92 |
+
_citation.journal_volume 299
|
| 93 |
+
_citation.page_first 103
|
| 94 |
+
_citation.page_last 112
|
| 95 |
+
_citation.year 2000
|
| 96 |
+
_citation.journal_id_ASTM JMOBAK
|
| 97 |
+
_citation.country UK
|
| 98 |
+
_citation.journal_id_ISSN 0022-2836
|
| 99 |
+
_citation.journal_id_CSD 0070
|
| 100 |
+
_citation.book_publisher ?
|
| 101 |
+
_citation.pdbx_database_id_PubMed 10860725
|
| 102 |
+
_citation.pdbx_database_id_DOI 10.1006/jmbi.2000.3730
|
| 103 |
+
#
|
| 104 |
+
loop_
|
| 105 |
+
_citation_author.citation_id
|
| 106 |
+
_citation_author.name
|
| 107 |
+
_citation_author.ordinal
|
| 108 |
+
_citation_author.identifier_ORCID
|
| 109 |
+
primary 'Sudarsanakumar, C.' 1 ?
|
| 110 |
+
primary 'Xiong, Y.' 2 ?
|
| 111 |
+
primary 'Sundaralingam, M.' 3 ?
|
| 112 |
+
#
|
| 113 |
+
loop_
|
| 114 |
+
_entity.id
|
| 115 |
+
_entity.type
|
| 116 |
+
_entity.src_method
|
| 117 |
+
_entity.pdbx_description
|
| 118 |
+
_entity.formula_weight
|
| 119 |
+
_entity.pdbx_number_of_molecules
|
| 120 |
+
_entity.pdbx_ec
|
| 121 |
+
_entity.pdbx_mutation
|
| 122 |
+
_entity.pdbx_fragment
|
| 123 |
+
_entity.details
|
| 124 |
+
1 polymer syn
|
| 125 |
+
;DNA (5'-D(*CP*TP*CP*CP*TP*CP*TP*TP*C)-3')
|
| 126 |
+
;
|
| 127 |
+
2617.723 1 ? ? ? ?
|
| 128 |
+
2 polymer syn
|
| 129 |
+
;RNA (5'-R(*GP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3')
|
| 130 |
+
;
|
| 131 |
+
3327.100 1 ? ? ? ?
|
| 132 |
+
3 water nat water 18.015 23 ? ? ? ?
|
| 133 |
+
#
|
| 134 |
+
loop_
|
| 135 |
+
_entity_poly.entity_id
|
| 136 |
+
_entity_poly.type
|
| 137 |
+
_entity_poly.nstd_linkage
|
| 138 |
+
_entity_poly.nstd_monomer
|
| 139 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 140 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 141 |
+
_entity_poly.pdbx_strand_id
|
| 142 |
+
_entity_poly.pdbx_target_identifier
|
| 143 |
+
1 polydeoxyribonucleotide no no '(DC)(DT)(DC)(DC)(DT)(DC)(DT)(DT)(DC)' CTCCTCTTC A ?
|
| 144 |
+
2 polyribonucleotide no no GAAGAGAGAG GAAGAGAGAG B ?
|
| 145 |
+
#
|
| 146 |
+
_pdbx_entity_nonpoly.entity_id 3
|
| 147 |
+
_pdbx_entity_nonpoly.name water
|
| 148 |
+
_pdbx_entity_nonpoly.comp_id HOH
|
| 149 |
+
#
|
| 150 |
+
loop_
|
| 151 |
+
_entity_poly_seq.entity_id
|
| 152 |
+
_entity_poly_seq.num
|
| 153 |
+
_entity_poly_seq.mon_id
|
| 154 |
+
_entity_poly_seq.hetero
|
| 155 |
+
1 1 DC n
|
| 156 |
+
1 2 DT n
|
| 157 |
+
1 3 DC n
|
| 158 |
+
1 4 DC n
|
| 159 |
+
1 5 DT n
|
| 160 |
+
1 6 DC n
|
| 161 |
+
1 7 DT n
|
| 162 |
+
1 8 DT n
|
| 163 |
+
1 9 DC n
|
| 164 |
+
2 1 G n
|
| 165 |
+
2 2 A n
|
| 166 |
+
2 3 A n
|
| 167 |
+
2 4 G n
|
| 168 |
+
2 5 A n
|
| 169 |
+
2 6 G n
|
| 170 |
+
2 7 A n
|
| 171 |
+
2 8 G n
|
| 172 |
+
2 9 A n
|
| 173 |
+
2 10 G n
|
| 174 |
+
#
|
| 175 |
+
loop_
|
| 176 |
+
_chem_comp.id
|
| 177 |
+
_chem_comp.type
|
| 178 |
+
_chem_comp.mon_nstd_flag
|
| 179 |
+
_chem_comp.name
|
| 180 |
+
_chem_comp.pdbx_synonyms
|
| 181 |
+
_chem_comp.formula
|
| 182 |
+
_chem_comp.formula_weight
|
| 183 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 184 |
+
DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
|
| 185 |
+
DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
|
| 186 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 187 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 188 |
+
#
|
| 189 |
+
loop_
|
| 190 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 191 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 192 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 193 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 194 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 195 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 196 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 197 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 198 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 199 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 200 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 201 |
+
_pdbx_poly_seq_scheme.hetero
|
| 202 |
+
A 1 1 DC 1 1 1 DC C A . n
|
| 203 |
+
A 1 2 DT 2 2 2 DT T A . n
|
| 204 |
+
A 1 3 DC 3 3 3 DC C A . n
|
| 205 |
+
A 1 4 DC 4 4 4 DC C A . n
|
| 206 |
+
A 1 5 DT 5 5 5 DT T A . n
|
| 207 |
+
A 1 6 DC 6 6 6 DC C A . n
|
| 208 |
+
A 1 7 DT 7 7 7 DT T A . n
|
| 209 |
+
A 1 8 DT 8 8 8 DT T A . n
|
| 210 |
+
A 1 9 DC 9 9 9 DC C A . n
|
| 211 |
+
B 2 1 G 1 10 10 G G B . n
|
| 212 |
+
B 2 2 A 2 11 11 A A B . n
|
| 213 |
+
B 2 3 A 3 12 12 A A B . n
|
| 214 |
+
B 2 4 G 4 13 13 G G B . n
|
| 215 |
+
B 2 5 A 5 14 14 A A B . n
|
| 216 |
+
B 2 6 G 6 15 15 G G B . n
|
| 217 |
+
B 2 7 A 7 16 16 A A B . n
|
| 218 |
+
B 2 8 G 8 17 17 G G B . n
|
| 219 |
+
B 2 9 A 9 18 18 A A B . n
|
| 220 |
+
B 2 10 G 10 19 19 G G B . n
|
| 221 |
+
#
|
| 222 |
+
loop_
|
| 223 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 224 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 225 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 226 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 227 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 228 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 229 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 230 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 231 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 232 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 233 |
+
C 3 HOH 1 103 103 HOH WAT A .
|
| 234 |
+
C 3 HOH 2 106 106 HOH WAT A .
|
| 235 |
+
C 3 HOH 3 113 113 HOH WAT A .
|
| 236 |
+
C 3 HOH 4 117 117 HOH WAT A .
|
| 237 |
+
C 3 HOH 5 118 118 HOH WAT A .
|
| 238 |
+
C 3 HOH 6 120 120 HOH WAT A .
|
| 239 |
+
C 3 HOH 7 121 121 HOH WAT A .
|
| 240 |
+
D 3 HOH 1 101 101 HOH WAT B .
|
| 241 |
+
D 3 HOH 2 102 102 HOH WAT B .
|
| 242 |
+
D 3 HOH 3 104 104 HOH WAT B .
|
| 243 |
+
D 3 HOH 4 105 105 HOH WAT B .
|
| 244 |
+
D 3 HOH 5 107 107 HOH WAT B .
|
| 245 |
+
D 3 HOH 6 108 108 HOH WAT B .
|
| 246 |
+
D 3 HOH 7 109 109 HOH WAT B .
|
| 247 |
+
D 3 HOH 8 110 110 HOH WAT B .
|
| 248 |
+
D 3 HOH 9 111 111 HOH WAT B .
|
| 249 |
+
D 3 HOH 10 112 112 HOH WAT B .
|
| 250 |
+
D 3 HOH 11 114 114 HOH WAT B .
|
| 251 |
+
D 3 HOH 12 115 115 HOH WAT B .
|
| 252 |
+
D 3 HOH 13 116 116 HOH WAT B .
|
| 253 |
+
D 3 HOH 14 119 119 HOH WAT B .
|
| 254 |
+
D 3 HOH 15 122 122 HOH WAT B .
|
| 255 |
+
D 3 HOH 16 123 123 HOH WAT B .
|
| 256 |
+
#
|
| 257 |
+
loop_
|
| 258 |
+
_software.name
|
| 259 |
+
_software.classification
|
| 260 |
+
_software.version
|
| 261 |
+
_software.citation_id
|
| 262 |
+
_software.pdbx_ordinal
|
| 263 |
+
AMoRE phasing . ? 1
|
| 264 |
+
CNS refinement . ? 2
|
| 265 |
+
SCALEPACK 'data scaling' . ? 3
|
| 266 |
+
#
|
| 267 |
+
_cell.entry_id 1EFO
|
| 268 |
+
_cell.length_a 46.66
|
| 269 |
+
_cell.length_b 47.61
|
| 270 |
+
_cell.length_c 54.04
|
| 271 |
+
_cell.angle_alpha 90.0
|
| 272 |
+
_cell.angle_beta 90.0
|
| 273 |
+
_cell.angle_gamma 90.0
|
| 274 |
+
_cell.Z_PDB 8
|
| 275 |
+
_cell.pdbx_unique_axis ?
|
| 276 |
+
_cell.length_a_esd ?
|
| 277 |
+
_cell.length_b_esd ?
|
| 278 |
+
_cell.length_c_esd ?
|
| 279 |
+
_cell.angle_alpha_esd ?
|
| 280 |
+
_cell.angle_beta_esd ?
|
| 281 |
+
_cell.angle_gamma_esd ?
|
| 282 |
+
#
|
| 283 |
+
_symmetry.entry_id 1EFO
|
| 284 |
+
_symmetry.space_group_name_H-M 'I 2 2 2'
|
| 285 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 286 |
+
_symmetry.cell_setting orthorhombic
|
| 287 |
+
_symmetry.Int_Tables_number 23
|
| 288 |
+
_symmetry.space_group_name_Hall ?
|
| 289 |
+
#
|
| 290 |
+
_exptl.entry_id 1EFO
|
| 291 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 292 |
+
_exptl.crystals_number 1
|
| 293 |
+
#
|
| 294 |
+
_exptl_crystal.id 1
|
| 295 |
+
_exptl_crystal.density_meas ?
|
| 296 |
+
_exptl_crystal.density_percent_sol 50.62
|
| 297 |
+
_exptl_crystal.density_Matthews 2.49
|
| 298 |
+
_exptl_crystal.description ?
|
| 299 |
+
_exptl_crystal.F_000 ?
|
| 300 |
+
_exptl_crystal.preparation ?
|
| 301 |
+
#
|
| 302 |
+
_exptl_crystal_grow.crystal_id 1
|
| 303 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 304 |
+
_exptl_crystal_grow.temp 293
|
| 305 |
+
_exptl_crystal_grow.temp_details ?
|
| 306 |
+
_exptl_crystal_grow.pH 6.0
|
| 307 |
+
_exptl_crystal_grow.pdbx_details
|
| 308 |
+
'MPD, LITHIUM CHLORIDE, SPERMINE TETRACHLORIDE, CACODYLATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K'
|
| 309 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 310 |
+
#
|
| 311 |
+
loop_
|
| 312 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 313 |
+
_exptl_crystal_grow_comp.id
|
| 314 |
+
_exptl_crystal_grow_comp.sol_id
|
| 315 |
+
_exptl_crystal_grow_comp.name
|
| 316 |
+
_exptl_crystal_grow_comp.volume
|
| 317 |
+
_exptl_crystal_grow_comp.conc
|
| 318 |
+
_exptl_crystal_grow_comp.details
|
| 319 |
+
1 1 1 'SPERMINE TETRACHLORIDE' ? ? ?
|
| 320 |
+
1 2 1 CACODYLATE ? ? ?
|
| 321 |
+
1 3 1 LICL ? ? ?
|
| 322 |
+
1 4 1 MPD ? ? ?
|
| 323 |
+
1 5 2 LICL ? ? ?
|
| 324 |
+
1 6 2 MPD ? ? ?
|
| 325 |
+
#
|
| 326 |
+
_diffrn.id 1
|
| 327 |
+
_diffrn.ambient_temp 297
|
| 328 |
+
_diffrn.ambient_temp_details ?
|
| 329 |
+
_diffrn.crystal_id 1
|
| 330 |
+
#
|
| 331 |
+
_diffrn_detector.diffrn_id 1
|
| 332 |
+
_diffrn_detector.detector 'IMAGE PLATE'
|
| 333 |
+
_diffrn_detector.type 'RIGAKU RAXIS IIC'
|
| 334 |
+
_diffrn_detector.pdbx_collection_date 1999-07-22
|
| 335 |
+
_diffrn_detector.details ?
|
| 336 |
+
#
|
| 337 |
+
_diffrn_radiation.diffrn_id 1
|
| 338 |
+
_diffrn_radiation.wavelength_id 1
|
| 339 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 340 |
+
_diffrn_radiation.monochromator ?
|
| 341 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 342 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 343 |
+
#
|
| 344 |
+
_diffrn_radiation_wavelength.id 1
|
| 345 |
+
_diffrn_radiation_wavelength.wavelength 1.5418
|
| 346 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 347 |
+
#
|
| 348 |
+
_diffrn_source.diffrn_id 1
|
| 349 |
+
_diffrn_source.source 'ROTATING ANODE'
|
| 350 |
+
_diffrn_source.type RIGAKU
|
| 351 |
+
_diffrn_source.pdbx_synchrotron_site ?
|
| 352 |
+
_diffrn_source.pdbx_synchrotron_beamline ?
|
| 353 |
+
_diffrn_source.pdbx_wavelength 1.5418
|
| 354 |
+
_diffrn_source.pdbx_wavelength_list ?
|
| 355 |
+
#
|
| 356 |
+
_reflns.entry_id 1EFO
|
| 357 |
+
_reflns.observed_criterion_sigma_I 1.0
|
| 358 |
+
_reflns.observed_criterion_sigma_F 2.0
|
| 359 |
+
_reflns.d_resolution_low 10.0
|
| 360 |
+
_reflns.d_resolution_high 2.3
|
| 361 |
+
_reflns.number_obs 2486
|
| 362 |
+
_reflns.number_all 2880
|
| 363 |
+
_reflns.percent_possible_obs 91.4
|
| 364 |
+
_reflns.pdbx_Rmerge_I_obs 0.0700000
|
| 365 |
+
_reflns.pdbx_Rsym_value ?
|
| 366 |
+
_reflns.pdbx_netI_over_sigmaI ?
|
| 367 |
+
_reflns.B_iso_Wilson_estimate ?
|
| 368 |
+
_reflns.pdbx_redundancy 5.6
|
| 369 |
+
_reflns.R_free_details ?
|
| 370 |
+
_reflns.pdbx_chi_squared ?
|
| 371 |
+
_reflns.pdbx_scaling_rejects ?
|
| 372 |
+
_reflns.pdbx_diffrn_id 1
|
| 373 |
+
_reflns.pdbx_ordinal 1
|
| 374 |
+
#
|
| 375 |
+
_reflns_shell.d_res_high 2.30
|
| 376 |
+
_reflns_shell.d_res_low 2.38
|
| 377 |
+
_reflns_shell.percent_possible_all 71.3
|
| 378 |
+
_reflns_shell.Rmerge_I_obs 0.0800000
|
| 379 |
+
_reflns_shell.pdbx_Rsym_value ?
|
| 380 |
+
_reflns_shell.meanI_over_sigI_obs ?
|
| 381 |
+
_reflns_shell.pdbx_redundancy 4.0
|
| 382 |
+
_reflns_shell.percent_possible_obs ?
|
| 383 |
+
_reflns_shell.number_unique_all ?
|
| 384 |
+
_reflns_shell.number_measured_all ?
|
| 385 |
+
_reflns_shell.number_measured_obs ?
|
| 386 |
+
_reflns_shell.number_unique_obs ?
|
| 387 |
+
_reflns_shell.pdbx_chi_squared ?
|
| 388 |
+
_reflns_shell.pdbx_diffrn_id ?
|
| 389 |
+
_reflns_shell.pdbx_ordinal 1
|
| 390 |
+
#
|
| 391 |
+
_refine.entry_id 1EFO
|
| 392 |
+
_refine.ls_number_reflns_obs 2486
|
| 393 |
+
_refine.ls_number_reflns_all 2578
|
| 394 |
+
_refine.pdbx_ls_sigma_I 1.0
|
| 395 |
+
_refine.pdbx_ls_sigma_F 2.0
|
| 396 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 397 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 398 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 399 |
+
_refine.ls_d_res_low 10.0
|
| 400 |
+
_refine.ls_d_res_high 2.30
|
| 401 |
+
_refine.ls_percent_reflns_obs 91.4
|
| 402 |
+
_refine.ls_R_factor_obs 0.1990000
|
| 403 |
+
_refine.ls_R_factor_all ?
|
| 404 |
+
_refine.ls_R_factor_R_work 0.1990000
|
| 405 |
+
_refine.ls_R_factor_R_free 0.2220000
|
| 406 |
+
_refine.ls_R_factor_R_free_error ?
|
| 407 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 408 |
+
_refine.ls_percent_reflns_R_free 9
|
| 409 |
+
_refine.ls_number_reflns_R_free 237
|
| 410 |
+
_refine.ls_number_parameters ?
|
| 411 |
+
_refine.ls_number_restraints ?
|
| 412 |
+
_refine.occupancy_min ?
|
| 413 |
+
_refine.occupancy_max ?
|
| 414 |
+
_refine.B_iso_mean ?
|
| 415 |
+
_refine.aniso_B[1][1] ?
|
| 416 |
+
_refine.aniso_B[2][2] ?
|
| 417 |
+
_refine.aniso_B[3][3] ?
|
| 418 |
+
_refine.aniso_B[1][2] ?
|
| 419 |
+
_refine.aniso_B[1][3] ?
|
| 420 |
+
_refine.aniso_B[2][3] ?
|
| 421 |
+
_refine.solvent_model_details ?
|
| 422 |
+
_refine.solvent_model_param_ksol ?
|
| 423 |
+
_refine.solvent_model_param_bsol ?
|
| 424 |
+
_refine.pdbx_ls_cross_valid_method THROUGHOUT
|
| 425 |
+
_refine.details ?
|
| 426 |
+
_refine.pdbx_starting_model ?
|
| 427 |
+
_refine.pdbx_method_to_determine_struct ?
|
| 428 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 429 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 430 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 431 |
+
_refine.pdbx_R_Free_selection_details RANDOM
|
| 432 |
+
_refine.pdbx_overall_ESU_R ?
|
| 433 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 434 |
+
_refine.overall_SU_ML ?
|
| 435 |
+
_refine.overall_SU_B ?
|
| 436 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 437 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 438 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 439 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 440 |
+
_refine.overall_SU_R_free ?
|
| 441 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 442 |
+
_refine.pdbx_overall_phase_error ?
|
| 443 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 444 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 445 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 446 |
+
_refine.ls_wR_factor_R_free ?
|
| 447 |
+
_refine.ls_wR_factor_R_work ?
|
| 448 |
+
_refine.overall_FOM_free_R_set ?
|
| 449 |
+
_refine.overall_FOM_work_R_set ?
|
| 450 |
+
_refine.pdbx_diffrn_id 1
|
| 451 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 452 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 453 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 454 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 455 |
+
#
|
| 456 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 457 |
+
_refine_hist.cycle_id LAST
|
| 458 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 459 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 394
|
| 460 |
+
_refine_hist.pdbx_number_atoms_ligand 0
|
| 461 |
+
_refine_hist.number_atoms_solvent 23
|
| 462 |
+
_refine_hist.number_atoms_total 417
|
| 463 |
+
_refine_hist.d_res_high 2.30
|
| 464 |
+
_refine_hist.d_res_low 10.0
|
| 465 |
+
#
|
| 466 |
+
loop_
|
| 467 |
+
_refine_ls_restr.type
|
| 468 |
+
_refine_ls_restr.dev_ideal
|
| 469 |
+
_refine_ls_restr.dev_ideal_target
|
| 470 |
+
_refine_ls_restr.weight
|
| 471 |
+
_refine_ls_restr.number
|
| 472 |
+
_refine_ls_restr.pdbx_refine_id
|
| 473 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 474 |
+
c_bond_d 0.007 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 475 |
+
c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 476 |
+
c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 477 |
+
c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 478 |
+
c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 479 |
+
c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 480 |
+
c_angle_deg 1.2 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 481 |
+
c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 482 |
+
c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 483 |
+
c_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 484 |
+
c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 485 |
+
c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 486 |
+
c_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 487 |
+
c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 488 |
+
c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 489 |
+
c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 490 |
+
c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 491 |
+
c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 492 |
+
c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 493 |
+
#
|
| 494 |
+
_database_PDB_matrix.entry_id 1EFO
|
| 495 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 496 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 497 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 498 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 499 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 500 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 501 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 502 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 503 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 504 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 505 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 506 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 507 |
+
#
|
| 508 |
+
_struct.entry_id 1EFO
|
| 509 |
+
_struct.title
|
| 510 |
+
'CRYSTAL STRUCTURE OF AN ADENINE BULGE IN THE RNA CHAIN OF A DNA/RNA HYBRID, D(CTCCTCTTC)/R(GAAGAGAGAG)'
|
| 511 |
+
_struct.pdbx_model_details ?
|
| 512 |
+
_struct.pdbx_CASP_flag ?
|
| 513 |
+
_struct.pdbx_model_type_details ?
|
| 514 |
+
#
|
| 515 |
+
_struct_keywords.entry_id 1EFO
|
| 516 |
+
_struct_keywords.pdbx_keywords 'DNA-RNA HYBRID'
|
| 517 |
+
_struct_keywords.text 'A-FORM CONFORMATION, HYBRID, ADENINE BULGE, LOOPED OUT, DNA-RNA COMPLEX, DNA-RNA HYBRID'
|
| 518 |
+
#
|
| 519 |
+
loop_
|
| 520 |
+
_struct_asym.id
|
| 521 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 522 |
+
_struct_asym.pdbx_modified
|
| 523 |
+
_struct_asym.entity_id
|
| 524 |
+
_struct_asym.details
|
| 525 |
+
A N N 1 ?
|
| 526 |
+
B N N 2 ?
|
| 527 |
+
C N N 3 ?
|
| 528 |
+
D N N 3 ?
|
| 529 |
+
#
|
| 530 |
+
loop_
|
| 531 |
+
_struct_ref.id
|
| 532 |
+
_struct_ref.entity_id
|
| 533 |
+
_struct_ref.db_name
|
| 534 |
+
_struct_ref.db_code
|
| 535 |
+
_struct_ref.pdbx_db_accession
|
| 536 |
+
_struct_ref.pdbx_align_begin
|
| 537 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 538 |
+
_struct_ref.pdbx_db_isoform
|
| 539 |
+
1 1 PDB 1EFO 1EFO ? ? ?
|
| 540 |
+
2 2 PDB 1EFO 1EFO ? ? ?
|
| 541 |
+
#
|
| 542 |
+
loop_
|
| 543 |
+
_struct_ref_seq.align_id
|
| 544 |
+
_struct_ref_seq.ref_id
|
| 545 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 546 |
+
_struct_ref_seq.pdbx_strand_id
|
| 547 |
+
_struct_ref_seq.seq_align_beg
|
| 548 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 549 |
+
_struct_ref_seq.seq_align_end
|
| 550 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 551 |
+
_struct_ref_seq.pdbx_db_accession
|
| 552 |
+
_struct_ref_seq.db_align_beg
|
| 553 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 554 |
+
_struct_ref_seq.db_align_end
|
| 555 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 556 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 557 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 558 |
+
1 1 1EFO A 1 ? 9 ? 1EFO 1 ? 9 ? 1 9
|
| 559 |
+
2 2 1EFO B 1 ? 10 ? 1EFO 10 ? 19 ? 10 19
|
| 560 |
+
#
|
| 561 |
+
_pdbx_struct_assembly.id 1
|
| 562 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 563 |
+
_pdbx_struct_assembly.method_details ?
|
| 564 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 565 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 566 |
+
#
|
| 567 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 568 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 569 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D
|
| 570 |
+
#
|
| 571 |
+
_pdbx_struct_oper_list.id 1
|
| 572 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 573 |
+
_pdbx_struct_oper_list.name 1_555
|
| 574 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 575 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 576 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 577 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 578 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 579 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 580 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 581 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 582 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 583 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 584 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 585 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 586 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 587 |
+
#
|
| 588 |
+
_struct_biol.id 1
|
| 589 |
+
_struct_biol.pdbx_parent_biol_id ?
|
| 590 |
+
_struct_biol.details ?
|
| 591 |
+
#
|
| 592 |
+
loop_
|
| 593 |
+
_struct_conn.id
|
| 594 |
+
_struct_conn.conn_type_id
|
| 595 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 596 |
+
_struct_conn.pdbx_PDB_id
|
| 597 |
+
_struct_conn.ptnr1_label_asym_id
|
| 598 |
+
_struct_conn.ptnr1_label_comp_id
|
| 599 |
+
_struct_conn.ptnr1_label_seq_id
|
| 600 |
+
_struct_conn.ptnr1_label_atom_id
|
| 601 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 602 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 603 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 604 |
+
_struct_conn.ptnr1_symmetry
|
| 605 |
+
_struct_conn.ptnr2_label_asym_id
|
| 606 |
+
_struct_conn.ptnr2_label_comp_id
|
| 607 |
+
_struct_conn.ptnr2_label_seq_id
|
| 608 |
+
_struct_conn.ptnr2_label_atom_id
|
| 609 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 610 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 611 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 612 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 613 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 614 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 615 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 616 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 617 |
+
_struct_conn.ptnr2_symmetry
|
| 618 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 619 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 620 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 621 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 622 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 623 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 624 |
+
_struct_conn.details
|
| 625 |
+
_struct_conn.pdbx_dist_value
|
| 626 |
+
_struct_conn.pdbx_value_order
|
| 627 |
+
_struct_conn.pdbx_role
|
| 628 |
+
hydrog1 hydrog ? ? A DC 1 N3 ? ? ? 1_555 B G 10 N1 ? ? A DC 1 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 629 |
+
hydrog2 hydrog ? ? A DC 1 N4 ? ? ? 1_555 B G 10 O6 ? ? A DC 1 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 630 |
+
hydrog3 hydrog ? ? A DC 1 O2 ? ? ? 1_555 B G 10 N2 ? ? A DC 1 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 631 |
+
hydrog4 hydrog ? ? A DT 2 N3 ? ? ? 1_555 B A 9 N1 ? ? A DT 2 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 632 |
+
hydrog5 hydrog ? ? A DT 2 O4 ? ? ? 1_555 B A 9 N6 ? ? A DT 2 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 633 |
+
hydrog6 hydrog ? ? A DC 3 N3 ? ? ? 1_555 B G 8 N1 ? ? A DC 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 634 |
+
hydrog7 hydrog ? ? A DC 3 N4 ? ? ? 1_555 B G 8 O6 ? ? A DC 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 635 |
+
hydrog8 hydrog ? ? A DC 3 O2 ? ? ? 1_555 B G 8 N2 ? ? A DC 3 B G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 636 |
+
hydrog9 hydrog ? ? A DC 4 N3 ? ? ? 1_555 B G 6 N1 ? ? A DC 4 B G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 637 |
+
hydrog10 hydrog ? ? A DC 4 N4 ? ? ? 1_555 B G 6 O6 ? ? A DC 4 B G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 638 |
+
hydrog11 hydrog ? ? A DC 4 O2 ? ? ? 1_555 B G 6 N2 ? ? A DC 4 B G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 639 |
+
hydrog12 hydrog ? ? A DT 5 N3 ? ? ? 1_555 B A 5 N1 ? ? A DT 5 B A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 640 |
+
hydrog13 hydrog ? ? A DT 5 O4 ? ? ? 1_555 B A 5 N6 ? ? A DT 5 B A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 641 |
+
hydrog14 hydrog ? ? A DC 6 N3 ? ? ? 1_555 B G 4 N1 ? ? A DC 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 642 |
+
hydrog15 hydrog ? ? A DC 6 N4 ? ? ? 1_555 B G 4 O6 ? ? A DC 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 643 |
+
hydrog16 hydrog ? ? A DC 6 O2 ? ? ? 1_555 B G 4 N2 ? ? A DC 6 B G 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 644 |
+
hydrog17 hydrog ? ? A DT 7 N3 ? ? ? 1_555 B A 3 N1 ? ? A DT 7 B A 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 645 |
+
hydrog18 hydrog ? ? A DT 7 O4 ? ? ? 1_555 B A 3 N6 ? ? A DT 7 B A 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 646 |
+
hydrog19 hydrog ? ? A DT 8 N3 ? ? ? 1_555 B A 2 N1 ? ? A DT 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 647 |
+
hydrog20 hydrog ? ? A DT 8 O4 ? ? ? 1_555 B A 2 N6 ? ? A DT 8 B A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 648 |
+
hydrog21 hydrog ? ? A DC 9 N3 ? ? ? 1_555 B G 1 N1 ? ? A DC 9 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 649 |
+
hydrog22 hydrog ? ? A DC 9 N4 ? ? ? 1_555 B G 1 O6 ? ? A DC 9 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 650 |
+
hydrog23 hydrog ? ? A DC 9 O2 ? ? ? 1_555 B G 1 N2 ? ? A DC 9 B G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 651 |
+
#
|
| 652 |
+
_struct_conn_type.id hydrog
|
| 653 |
+
_struct_conn_type.criteria ?
|
| 654 |
+
_struct_conn_type.reference ?
|
| 655 |
+
#
|
| 656 |
+
loop_
|
| 657 |
+
_chem_comp_atom.comp_id
|
| 658 |
+
_chem_comp_atom.atom_id
|
| 659 |
+
_chem_comp_atom.type_symbol
|
| 660 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 661 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 662 |
+
_chem_comp_atom.pdbx_ordinal
|
| 663 |
+
A OP3 O N N 1
|
| 664 |
+
A P P N N 2
|
| 665 |
+
A OP1 O N N 3
|
| 666 |
+
A OP2 O N N 4
|
| 667 |
+
A "O5'" O N N 5
|
| 668 |
+
A "C5'" C N N 6
|
| 669 |
+
A "C4'" C N R 7
|
| 670 |
+
A "O4'" O N N 8
|
| 671 |
+
A "C3'" C N S 9
|
| 672 |
+
A "O3'" O N N 10
|
| 673 |
+
A "C2'" C N R 11
|
| 674 |
+
A "O2'" O N N 12
|
| 675 |
+
A "C1'" C N R 13
|
| 676 |
+
A N9 N Y N 14
|
| 677 |
+
A C8 C Y N 15
|
| 678 |
+
A N7 N Y N 16
|
| 679 |
+
A C5 C Y N 17
|
| 680 |
+
A C6 C Y N 18
|
| 681 |
+
A N6 N N N 19
|
| 682 |
+
A N1 N Y N 20
|
| 683 |
+
A C2 C Y N 21
|
| 684 |
+
A N3 N Y N 22
|
| 685 |
+
A C4 C Y N 23
|
| 686 |
+
A HOP3 H N N 24
|
| 687 |
+
A HOP2 H N N 25
|
| 688 |
+
A "H5'" H N N 26
|
| 689 |
+
A "H5''" H N N 27
|
| 690 |
+
A "H4'" H N N 28
|
| 691 |
+
A "H3'" H N N 29
|
| 692 |
+
A "HO3'" H N N 30
|
| 693 |
+
A "H2'" H N N 31
|
| 694 |
+
A "HO2'" H N N 32
|
| 695 |
+
A "H1'" H N N 33
|
| 696 |
+
A H8 H N N 34
|
| 697 |
+
A H61 H N N 35
|
| 698 |
+
A H62 H N N 36
|
| 699 |
+
A H2 H N N 37
|
| 700 |
+
DC OP3 O N N 38
|
| 701 |
+
DC P P N N 39
|
| 702 |
+
DC OP1 O N N 40
|
| 703 |
+
DC OP2 O N N 41
|
| 704 |
+
DC "O5'" O N N 42
|
| 705 |
+
DC "C5'" C N N 43
|
| 706 |
+
DC "C4'" C N R 44
|
| 707 |
+
DC "O4'" O N N 45
|
| 708 |
+
DC "C3'" C N S 46
|
| 709 |
+
DC "O3'" O N N 47
|
| 710 |
+
DC "C2'" C N N 48
|
| 711 |
+
DC "C1'" C N R 49
|
| 712 |
+
DC N1 N N N 50
|
| 713 |
+
DC C2 C N N 51
|
| 714 |
+
DC O2 O N N 52
|
| 715 |
+
DC N3 N N N 53
|
| 716 |
+
DC C4 C N N 54
|
| 717 |
+
DC N4 N N N 55
|
| 718 |
+
DC C5 C N N 56
|
| 719 |
+
DC C6 C N N 57
|
| 720 |
+
DC HOP3 H N N 58
|
| 721 |
+
DC HOP2 H N N 59
|
| 722 |
+
DC "H5'" H N N 60
|
| 723 |
+
DC "H5''" H N N 61
|
| 724 |
+
DC "H4'" H N N 62
|
| 725 |
+
DC "H3'" H N N 63
|
| 726 |
+
DC "HO3'" H N N 64
|
| 727 |
+
DC "H2'" H N N 65
|
| 728 |
+
DC "H2''" H N N 66
|
| 729 |
+
DC "H1'" H N N 67
|
| 730 |
+
DC H41 H N N 68
|
| 731 |
+
DC H42 H N N 69
|
| 732 |
+
DC H5 H N N 70
|
| 733 |
+
DC H6 H N N 71
|
| 734 |
+
DT OP3 O N N 72
|
| 735 |
+
DT P P N N 73
|
| 736 |
+
DT OP1 O N N 74
|
| 737 |
+
DT OP2 O N N 75
|
| 738 |
+
DT "O5'" O N N 76
|
| 739 |
+
DT "C5'" C N N 77
|
| 740 |
+
DT "C4'" C N R 78
|
| 741 |
+
DT "O4'" O N N 79
|
| 742 |
+
DT "C3'" C N S 80
|
| 743 |
+
DT "O3'" O N N 81
|
| 744 |
+
DT "C2'" C N N 82
|
| 745 |
+
DT "C1'" C N R 83
|
| 746 |
+
DT N1 N N N 84
|
| 747 |
+
DT C2 C N N 85
|
| 748 |
+
DT O2 O N N 86
|
| 749 |
+
DT N3 N N N 87
|
| 750 |
+
DT C4 C N N 88
|
| 751 |
+
DT O4 O N N 89
|
| 752 |
+
DT C5 C N N 90
|
| 753 |
+
DT C7 C N N 91
|
| 754 |
+
DT C6 C N N 92
|
| 755 |
+
DT HOP3 H N N 93
|
| 756 |
+
DT HOP2 H N N 94
|
| 757 |
+
DT "H5'" H N N 95
|
| 758 |
+
DT "H5''" H N N 96
|
| 759 |
+
DT "H4'" H N N 97
|
| 760 |
+
DT "H3'" H N N 98
|
| 761 |
+
DT "HO3'" H N N 99
|
| 762 |
+
DT "H2'" H N N 100
|
| 763 |
+
DT "H2''" H N N 101
|
| 764 |
+
DT "H1'" H N N 102
|
| 765 |
+
DT H3 H N N 103
|
| 766 |
+
DT H71 H N N 104
|
| 767 |
+
DT H72 H N N 105
|
| 768 |
+
DT H73 H N N 106
|
| 769 |
+
DT H6 H N N 107
|
| 770 |
+
G OP3 O N N 108
|
| 771 |
+
G P P N N 109
|
| 772 |
+
G OP1 O N N 110
|
| 773 |
+
G OP2 O N N 111
|
| 774 |
+
G "O5'" O N N 112
|
| 775 |
+
G "C5'" C N N 113
|
| 776 |
+
G "C4'" C N R 114
|
| 777 |
+
G "O4'" O N N 115
|
| 778 |
+
G "C3'" C N S 116
|
| 779 |
+
G "O3'" O N N 117
|
| 780 |
+
G "C2'" C N R 118
|
| 781 |
+
G "O2'" O N N 119
|
| 782 |
+
G "C1'" C N R 120
|
| 783 |
+
G N9 N Y N 121
|
| 784 |
+
G C8 C Y N 122
|
| 785 |
+
G N7 N Y N 123
|
| 786 |
+
G C5 C Y N 124
|
| 787 |
+
G C6 C N N 125
|
| 788 |
+
G O6 O N N 126
|
| 789 |
+
G N1 N N N 127
|
| 790 |
+
G C2 C N N 128
|
| 791 |
+
G N2 N N N 129
|
| 792 |
+
G N3 N N N 130
|
| 793 |
+
G C4 C Y N 131
|
| 794 |
+
G HOP3 H N N 132
|
| 795 |
+
G HOP2 H N N 133
|
| 796 |
+
G "H5'" H N N 134
|
| 797 |
+
G "H5''" H N N 135
|
| 798 |
+
G "H4'" H N N 136
|
| 799 |
+
G "H3'" H N N 137
|
| 800 |
+
G "HO3'" H N N 138
|
| 801 |
+
G "H2'" H N N 139
|
| 802 |
+
G "HO2'" H N N 140
|
| 803 |
+
G "H1'" H N N 141
|
| 804 |
+
G H8 H N N 142
|
| 805 |
+
G H1 H N N 143
|
| 806 |
+
G H21 H N N 144
|
| 807 |
+
G H22 H N N 145
|
| 808 |
+
HOH O O N N 146
|
| 809 |
+
HOH H1 H N N 147
|
| 810 |
+
HOH H2 H N N 148
|
| 811 |
+
#
|
| 812 |
+
loop_
|
| 813 |
+
_chem_comp_bond.comp_id
|
| 814 |
+
_chem_comp_bond.atom_id_1
|
| 815 |
+
_chem_comp_bond.atom_id_2
|
| 816 |
+
_chem_comp_bond.value_order
|
| 817 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 818 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 819 |
+
_chem_comp_bond.pdbx_ordinal
|
| 820 |
+
A OP3 P sing N N 1
|
| 821 |
+
A OP3 HOP3 sing N N 2
|
| 822 |
+
A P OP1 doub N N 3
|
| 823 |
+
A P OP2 sing N N 4
|
| 824 |
+
A P "O5'" sing N N 5
|
| 825 |
+
A OP2 HOP2 sing N N 6
|
| 826 |
+
A "O5'" "C5'" sing N N 7
|
| 827 |
+
A "C5'" "C4'" sing N N 8
|
| 828 |
+
A "C5'" "H5'" sing N N 9
|
| 829 |
+
A "C5'" "H5''" sing N N 10
|
| 830 |
+
A "C4'" "O4'" sing N N 11
|
| 831 |
+
A "C4'" "C3'" sing N N 12
|
| 832 |
+
A "C4'" "H4'" sing N N 13
|
| 833 |
+
A "O4'" "C1'" sing N N 14
|
| 834 |
+
A "C3'" "O3'" sing N N 15
|
| 835 |
+
A "C3'" "C2'" sing N N 16
|
| 836 |
+
A "C3'" "H3'" sing N N 17
|
| 837 |
+
A "O3'" "HO3'" sing N N 18
|
| 838 |
+
A "C2'" "O2'" sing N N 19
|
| 839 |
+
A "C2'" "C1'" sing N N 20
|
| 840 |
+
A "C2'" "H2'" sing N N 21
|
| 841 |
+
A "O2'" "HO2'" sing N N 22
|
| 842 |
+
A "C1'" N9 sing N N 23
|
| 843 |
+
A "C1'" "H1'" sing N N 24
|
| 844 |
+
A N9 C8 sing Y N 25
|
| 845 |
+
A N9 C4 sing Y N 26
|
| 846 |
+
A C8 N7 doub Y N 27
|
| 847 |
+
A C8 H8 sing N N 28
|
| 848 |
+
A N7 C5 sing Y N 29
|
| 849 |
+
A C5 C6 sing Y N 30
|
| 850 |
+
A C5 C4 doub Y N 31
|
| 851 |
+
A C6 N6 sing N N 32
|
| 852 |
+
A C6 N1 doub Y N 33
|
| 853 |
+
A N6 H61 sing N N 34
|
| 854 |
+
A N6 H62 sing N N 35
|
| 855 |
+
A N1 C2 sing Y N 36
|
| 856 |
+
A C2 N3 doub Y N 37
|
| 857 |
+
A C2 H2 sing N N 38
|
| 858 |
+
A N3 C4 sing Y N 39
|
| 859 |
+
DC OP3 P sing N N 40
|
| 860 |
+
DC OP3 HOP3 sing N N 41
|
| 861 |
+
DC P OP1 doub N N 42
|
| 862 |
+
DC P OP2 sing N N 43
|
| 863 |
+
DC P "O5'" sing N N 44
|
| 864 |
+
DC OP2 HOP2 sing N N 45
|
| 865 |
+
DC "O5'" "C5'" sing N N 46
|
| 866 |
+
DC "C5'" "C4'" sing N N 47
|
| 867 |
+
DC "C5'" "H5'" sing N N 48
|
| 868 |
+
DC "C5'" "H5''" sing N N 49
|
| 869 |
+
DC "C4'" "O4'" sing N N 50
|
| 870 |
+
DC "C4'" "C3'" sing N N 51
|
| 871 |
+
DC "C4'" "H4'" sing N N 52
|
| 872 |
+
DC "O4'" "C1'" sing N N 53
|
| 873 |
+
DC "C3'" "O3'" sing N N 54
|
| 874 |
+
DC "C3'" "C2'" sing N N 55
|
| 875 |
+
DC "C3'" "H3'" sing N N 56
|
| 876 |
+
DC "O3'" "HO3'" sing N N 57
|
| 877 |
+
DC "C2'" "C1'" sing N N 58
|
| 878 |
+
DC "C2'" "H2'" sing N N 59
|
| 879 |
+
DC "C2'" "H2''" sing N N 60
|
| 880 |
+
DC "C1'" N1 sing N N 61
|
| 881 |
+
DC "C1'" "H1'" sing N N 62
|
| 882 |
+
DC N1 C2 sing N N 63
|
| 883 |
+
DC N1 C6 sing N N 64
|
| 884 |
+
DC C2 O2 doub N N 65
|
| 885 |
+
DC C2 N3 sing N N 66
|
| 886 |
+
DC N3 C4 doub N N 67
|
| 887 |
+
DC C4 N4 sing N N 68
|
| 888 |
+
DC C4 C5 sing N N 69
|
| 889 |
+
DC N4 H41 sing N N 70
|
| 890 |
+
DC N4 H42 sing N N 71
|
| 891 |
+
DC C5 C6 doub N N 72
|
| 892 |
+
DC C5 H5 sing N N 73
|
| 893 |
+
DC C6 H6 sing N N 74
|
| 894 |
+
DT OP3 P sing N N 75
|
| 895 |
+
DT OP3 HOP3 sing N N 76
|
| 896 |
+
DT P OP1 doub N N 77
|
| 897 |
+
DT P OP2 sing N N 78
|
| 898 |
+
DT P "O5'" sing N N 79
|
| 899 |
+
DT OP2 HOP2 sing N N 80
|
| 900 |
+
DT "O5'" "C5'" sing N N 81
|
| 901 |
+
DT "C5'" "C4'" sing N N 82
|
| 902 |
+
DT "C5'" "H5'" sing N N 83
|
| 903 |
+
DT "C5'" "H5''" sing N N 84
|
| 904 |
+
DT "C4'" "O4'" sing N N 85
|
| 905 |
+
DT "C4'" "C3'" sing N N 86
|
| 906 |
+
DT "C4'" "H4'" sing N N 87
|
| 907 |
+
DT "O4'" "C1'" sing N N 88
|
| 908 |
+
DT "C3'" "O3'" sing N N 89
|
| 909 |
+
DT "C3'" "C2'" sing N N 90
|
| 910 |
+
DT "C3'" "H3'" sing N N 91
|
| 911 |
+
DT "O3'" "HO3'" sing N N 92
|
| 912 |
+
DT "C2'" "C1'" sing N N 93
|
| 913 |
+
DT "C2'" "H2'" sing N N 94
|
| 914 |
+
DT "C2'" "H2''" sing N N 95
|
| 915 |
+
DT "C1'" N1 sing N N 96
|
| 916 |
+
DT "C1'" "H1'" sing N N 97
|
| 917 |
+
DT N1 C2 sing N N 98
|
| 918 |
+
DT N1 C6 sing N N 99
|
| 919 |
+
DT C2 O2 doub N N 100
|
| 920 |
+
DT C2 N3 sing N N 101
|
| 921 |
+
DT N3 C4 sing N N 102
|
| 922 |
+
DT N3 H3 sing N N 103
|
| 923 |
+
DT C4 O4 doub N N 104
|
| 924 |
+
DT C4 C5 sing N N 105
|
| 925 |
+
DT C5 C7 sing N N 106
|
| 926 |
+
DT C5 C6 doub N N 107
|
| 927 |
+
DT C7 H71 sing N N 108
|
| 928 |
+
DT C7 H72 sing N N 109
|
| 929 |
+
DT C7 H73 sing N N 110
|
| 930 |
+
DT C6 H6 sing N N 111
|
| 931 |
+
G OP3 P sing N N 112
|
| 932 |
+
G OP3 HOP3 sing N N 113
|
| 933 |
+
G P OP1 doub N N 114
|
| 934 |
+
G P OP2 sing N N 115
|
| 935 |
+
G P "O5'" sing N N 116
|
| 936 |
+
G OP2 HOP2 sing N N 117
|
| 937 |
+
G "O5'" "C5'" sing N N 118
|
| 938 |
+
G "C5'" "C4'" sing N N 119
|
| 939 |
+
G "C5'" "H5'" sing N N 120
|
| 940 |
+
G "C5'" "H5''" sing N N 121
|
| 941 |
+
G "C4'" "O4'" sing N N 122
|
| 942 |
+
G "C4'" "C3'" sing N N 123
|
| 943 |
+
G "C4'" "H4'" sing N N 124
|
| 944 |
+
G "O4'" "C1'" sing N N 125
|
| 945 |
+
G "C3'" "O3'" sing N N 126
|
| 946 |
+
G "C3'" "C2'" sing N N 127
|
| 947 |
+
G "C3'" "H3'" sing N N 128
|
| 948 |
+
G "O3'" "HO3'" sing N N 129
|
| 949 |
+
G "C2'" "O2'" sing N N 130
|
| 950 |
+
G "C2'" "C1'" sing N N 131
|
| 951 |
+
G "C2'" "H2'" sing N N 132
|
| 952 |
+
G "O2'" "HO2'" sing N N 133
|
| 953 |
+
G "C1'" N9 sing N N 134
|
| 954 |
+
G "C1'" "H1'" sing N N 135
|
| 955 |
+
G N9 C8 sing Y N 136
|
| 956 |
+
G N9 C4 sing Y N 137
|
| 957 |
+
G C8 N7 doub Y N 138
|
| 958 |
+
G C8 H8 sing N N 139
|
| 959 |
+
G N7 C5 sing Y N 140
|
| 960 |
+
G C5 C6 sing N N 141
|
| 961 |
+
G C5 C4 doub Y N 142
|
| 962 |
+
G C6 O6 doub N N 143
|
| 963 |
+
G C6 N1 sing N N 144
|
| 964 |
+
G N1 C2 sing N N 145
|
| 965 |
+
G N1 H1 sing N N 146
|
| 966 |
+
G C2 N2 sing N N 147
|
| 967 |
+
G C2 N3 doub N N 148
|
| 968 |
+
G N2 H21 sing N N 149
|
| 969 |
+
G N2 H22 sing N N 150
|
| 970 |
+
G N3 C4 sing N N 151
|
| 971 |
+
HOH O H1 sing N N 152
|
| 972 |
+
HOH O H2 sing N N 153
|
| 973 |
+
#
|
| 974 |
+
loop_
|
| 975 |
+
_ndb_struct_conf_na.entry_id
|
| 976 |
+
_ndb_struct_conf_na.feature
|
| 977 |
+
1EFO 'a-form double helix'
|
| 978 |
+
1EFO 'bulge loop'
|
| 979 |
+
#
|
| 980 |
+
loop_
|
| 981 |
+
_ndb_struct_na_base_pair.model_number
|
| 982 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 983 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 984 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 985 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 986 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 987 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 988 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 989 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 990 |
+
_ndb_struct_na_base_pair.shear
|
| 991 |
+
_ndb_struct_na_base_pair.stretch
|
| 992 |
+
_ndb_struct_na_base_pair.stagger
|
| 993 |
+
_ndb_struct_na_base_pair.buckle
|
| 994 |
+
_ndb_struct_na_base_pair.propeller
|
| 995 |
+
_ndb_struct_na_base_pair.opening
|
| 996 |
+
_ndb_struct_na_base_pair.pair_number
|
| 997 |
+
_ndb_struct_na_base_pair.pair_name
|
| 998 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 999 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1000 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1001 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1002 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1003 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1004 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1005 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1006 |
+
1 A DC 1 1_555 B G 10 1_555 0.463 -0.357 0.245 -9.099 0.527 0.561 1 A_DC1:G19_B A 1 ? B 19 ? 19 1
|
| 1007 |
+
1 A DT 2 1_555 B A 9 1_555 0.248 -0.240 -0.035 10.510 -5.910 2.003 2 A_DT2:A18_B A 2 ? B 18 ? 20 1
|
| 1008 |
+
1 A DC 3 1_555 B G 8 1_555 1.077 -0.279 -0.201 11.155 -9.044 7.133 3 A_DC3:G17_B A 3 ? B 17 ? 19 1
|
| 1009 |
+
1 A DC 4 1_555 B G 6 1_555 0.071 0.010 -0.052 3.697 -7.725 5.100 4 A_DC4:G15_B A 4 ? B 15 ? 19 1
|
| 1010 |
+
1 A DT 5 1_555 B A 5 1_555 -0.397 -0.027 -0.060 12.821 -11.543 7.429 5 A_DT5:A14_B A 5 ? B 14 ? 20 1
|
| 1011 |
+
1 A DC 6 1_555 B G 4 1_555 0.903 -0.400 -0.060 10.339 -10.329 0.974 6 A_DC6:G13_B A 6 ? B 13 ? 19 1
|
| 1012 |
+
1 A DT 7 1_555 B A 3 1_555 0.198 -0.362 -0.052 6.136 -17.095 10.038 7 A_DT7:A12_B A 7 ? B 12 ? 20 1
|
| 1013 |
+
1 A DT 8 1_555 B A 2 1_555 0.287 -0.285 0.186 6.486 -11.057 3.365 8 A_DT8:A11_B A 8 ? B 11 ? 20 1
|
| 1014 |
+
1 A DC 9 1_555 B G 1 1_555 0.382 -0.146 0.098 5.302 -13.089 7.221 9 A_DC9:G10_B A 9 ? B 10 ? 19 1
|
| 1015 |
+
#
|
| 1016 |
+
loop_
|
| 1017 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1018 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1019 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1020 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1021 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1022 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1023 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1024 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1025 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1026 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1027 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1028 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1029 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1030 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1031 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1032 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1033 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1034 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1035 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1036 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1037 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1038 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1039 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1040 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1041 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1042 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1043 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1044 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1045 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1046 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1047 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1048 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1049 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1050 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1051 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1052 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1053 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1054 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1055 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1056 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1057 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1058 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1059 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1060 |
+
1 A DC 1 1_555 B G 10 1_555 A DT 2 1_555 B A 9 1_555 -0.393 -1.882 2.870 0.465 -1.046 25.036 -4.061 1.027 2.937 -2.410 -1.071
|
| 1061 |
+
25.062 1 AA_DC1DT2:A18G19_BB A 1 ? B 19 ? A 2 ? B 18 ?
|
| 1062 |
+
1 A DT 2 1_555 B A 9 1_555 A DC 3 1_555 B G 8 1_555 0.443 -1.736 3.422 -0.739 0.909 35.261 -3.005 -0.845 3.368 1.500 1.219
|
| 1063 |
+
35.280 2 AA_DT2DC3:G17A18_BB A 2 ? B 18 ? A 3 ? B 17 ?
|
| 1064 |
+
1 A DC 3 1_555 B G 8 1_555 A DC 4 1_555 B G 6 1_555 -0.451 -1.953 3.512 -1.448 3.575 27.493 -4.966 0.577 3.256 7.474 3.028
|
| 1065 |
+
27.757 3 AA_DC3DC4:G15G17_BB A 3 ? B 17 ? A 4 ? B 15 ?
|
| 1066 |
+
1 A DC 4 1_555 B G 6 1_555 A DT 5 1_555 B A 5 1_555 -0.173 -1.585 3.233 -3.242 4.504 27.754 -4.238 -0.363 2.944 9.272 6.675
|
| 1067 |
+
28.292 4 AA_DC4DT5:A14G15_BB A 4 ? B 15 ? A 5 ? B 14 ?
|
| 1068 |
+
1 A DT 5 1_555 B A 5 1_555 A DC 6 1_555 B G 4 1_555 -0.888 -1.615 3.413 -3.984 10.475 33.689 -4.172 0.881 2.882 17.484 6.650
|
| 1069 |
+
35.453 5 AA_DT5DC6:G13A14_BB A 5 ? B 14 ? A 6 ? B 13 ?
|
| 1070 |
+
1 A DC 6 1_555 B G 4 1_555 A DT 7 1_555 B A 3 1_555 1.025 -1.673 3.304 3.975 9.182 30.795 -4.561 -1.167 2.809 16.745 -7.250
|
| 1071 |
+
32.343 6 AA_DC6DT7:A12G13_BB A 6 ? B 13 ? A 7 ? B 12 ?
|
| 1072 |
+
1 A DT 7 1_555 B A 3 1_555 A DT 8 1_555 B A 2 1_555 -0.962 -1.888 3.351 -1.546 9.043 27.681 -5.619 1.594 2.662 18.275 3.124
|
| 1073 |
+
29.133 7 AA_DT7DT8:A11A12_BB A 7 ? B 12 ? A 8 ? B 11 ?
|
| 1074 |
+
1 A DT 8 1_555 B A 2 1_555 A DC 9 1_555 B G 1 1_555 0.086 -1.337 3.300 -2.053 0.250 35.186 -2.245 -0.450 3.280 0.413 3.392
|
| 1075 |
+
35.245 8 AA_DT8DC9:G10A11_BB A 8 ? B 11 ? A 9 ? B 10 ?
|
| 1076 |
+
#
|
| 1077 |
+
_atom_sites.entry_id 1EFO
|
| 1078 |
+
_atom_sites.fract_transf_matrix[1][1] 0.021432
|
| 1079 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1080 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1081 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1082 |
+
_atom_sites.fract_transf_matrix[2][2] 0.021004
|
| 1083 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1084 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1085 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1086 |
+
_atom_sites.fract_transf_matrix[3][3] 0.018505
|
| 1087 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1088 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1089 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1090 |
+
#
|
| 1091 |
+
loop_
|
| 1092 |
+
_atom_type.symbol
|
| 1093 |
+
C
|
| 1094 |
+
N
|
| 1095 |
+
O
|
| 1096 |
+
P
|
| 1097 |
+
#
|
| 1098 |
+
loop_
|
| 1099 |
+
_atom_site.group_PDB
|
| 1100 |
+
_atom_site.id
|
| 1101 |
+
_atom_site.type_symbol
|
| 1102 |
+
_atom_site.label_atom_id
|
| 1103 |
+
_atom_site.label_alt_id
|
| 1104 |
+
_atom_site.label_comp_id
|
| 1105 |
+
_atom_site.label_asym_id
|
| 1106 |
+
_atom_site.label_entity_id
|
| 1107 |
+
_atom_site.label_seq_id
|
| 1108 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1109 |
+
_atom_site.Cartn_x
|
| 1110 |
+
_atom_site.Cartn_y
|
| 1111 |
+
_atom_site.Cartn_z
|
| 1112 |
+
_atom_site.occupancy
|
| 1113 |
+
_atom_site.B_iso_or_equiv
|
| 1114 |
+
_atom_site.pdbx_formal_charge
|
| 1115 |
+
_atom_site.auth_seq_id
|
| 1116 |
+
_atom_site.auth_comp_id
|
| 1117 |
+
_atom_site.auth_asym_id
|
| 1118 |
+
_atom_site.auth_atom_id
|
| 1119 |
+
_atom_site.pdbx_PDB_model_num
|
| 1120 |
+
ATOM 1 O "O5'" . DC A 1 1 ? -4.137 16.256 21.211 1.00 66.06 ? 1 DC A "O5'" 1
|
| 1121 |
+
ATOM 2 C "C5'" . DC A 1 1 ? -5.291 17.110 21.036 1.00 63.56 ? 1 DC A "C5'" 1
|
| 1122 |
+
ATOM 3 C "C4'" . DC A 1 1 ? -6.255 16.514 20.036 1.00 62.61 ? 1 DC A "C4'" 1
|
| 1123 |
+
ATOM 4 O "O4'" . DC A 1 1 ? -6.633 17.520 19.068 1.00 61.19 ? 1 DC A "O4'" 1
|
| 1124 |
+
ATOM 5 C "C3'" . DC A 1 1 ? -5.653 15.387 19.207 1.00 62.89 ? 1 DC A "C3'" 1
|
| 1125 |
+
ATOM 6 O "O3'" . DC A 1 1 ? -5.825 14.142 19.886 1.00 64.44 ? 1 DC A "O3'" 1
|
| 1126 |
+
ATOM 7 C "C2'" . DC A 1 1 ? -6.456 15.458 17.922 1.00 60.62 ? 1 DC A "C2'" 1
|
| 1127 |
+
ATOM 8 C "C1'" . DC A 1 1 ? -6.646 16.962 17.757 1.00 58.69 ? 1 DC A "C1'" 1
|
| 1128 |
+
ATOM 9 N N1 . DC A 1 1 ? -5.575 17.609 16.992 1.00 57.08 ? 1 DC A N1 1
|
| 1129 |
+
ATOM 10 C C2 . DC A 1 1 ? -5.450 17.319 15.634 1.00 56.50 ? 1 DC A C2 1
|
| 1130 |
+
ATOM 11 O O2 . DC A 1 1 ? -6.268 16.553 15.112 1.00 56.33 ? 1 DC A O2 1
|
| 1131 |
+
ATOM 12 N N3 . DC A 1 1 ? -4.446 17.886 14.924 1.00 55.91 ? 1 DC A N3 1
|
| 1132 |
+
ATOM 13 C C4 . DC A 1 1 ? -3.603 18.733 15.521 1.00 55.82 ? 1 DC A C4 1
|
| 1133 |
+
ATOM 14 N N4 . DC A 1 1 ? -2.642 19.282 14.781 1.00 56.12 ? 1 DC A N4 1
|
| 1134 |
+
ATOM 15 C C5 . DC A 1 1 ? -3.716 19.057 16.904 1.00 55.50 ? 1 DC A C5 1
|
| 1135 |
+
ATOM 16 C C6 . DC A 1 1 ? -4.706 18.475 17.595 1.00 55.78 ? 1 DC A C6 1
|
| 1136 |
+
ATOM 17 P P . DT A 1 2 ? -4.692 13.002 19.771 1.00 68.05 ? 2 DT A P 1
|
| 1137 |
+
ATOM 18 O OP1 . DT A 1 2 ? -5.010 11.977 20.805 1.00 68.41 ? 2 DT A OP1 1
|
| 1138 |
+
ATOM 19 O OP2 . DT A 1 2 ? -3.352 13.677 19.786 1.00 67.37 ? 2 DT A OP2 1
|
| 1139 |
+
ATOM 20 O "O5'" . DT A 1 2 ? -4.938 12.325 18.340 1.00 63.81 ? 2 DT A "O5'" 1
|
| 1140 |
+
ATOM 21 C "C5'" . DT A 1 2 ? -6.172 11.690 18.050 1.00 58.35 ? 2 DT A "C5'" 1
|
| 1141 |
+
ATOM 22 C "C4'" . DT A 1 2 ? -6.361 11.565 16.559 1.00 57.14 ? 2 DT A "C4'" 1
|
| 1142 |
+
ATOM 23 O "O4'" . DT A 1 2 ? -6.311 12.865 15.929 1.00 57.15 ? 2 DT A "O4'" 1
|
| 1143 |
+
ATOM 24 C "C3'" . DT A 1 2 ? -5.271 10.783 15.855 1.00 57.10 ? 2 DT A "C3'" 1
|
| 1144 |
+
ATOM 25 O "O3'" . DT A 1 2 ? -5.493 9.385 15.988 1.00 58.00 ? 2 DT A "O3'" 1
|
| 1145 |
+
ATOM 26 C "C2'" . DT A 1 2 ? -5.444 11.244 14.424 1.00 55.39 ? 2 DT A "C2'" 1
|
| 1146 |
+
ATOM 27 C "C1'" . DT A 1 2 ? -5.748 12.722 14.618 1.00 54.06 ? 2 DT A "C1'" 1
|
| 1147 |
+
ATOM 28 N N1 . DT A 1 2 ? -4.546 13.582 14.522 1.00 52.07 ? 2 DT A N1 1
|
| 1148 |
+
ATOM 29 C C2 . DT A 1 2 ? -4.082 13.861 13.255 1.00 50.95 ? 2 DT A C2 1
|
| 1149 |
+
ATOM 30 O O2 . DT A 1 2 ? -4.580 13.391 12.244 1.00 52.61 ? 2 DT A O2 1
|
| 1150 |
+
ATOM 31 N N3 . DT A 1 2 ? -2.999 14.703 13.213 1.00 48.85 ? 2 DT A N3 1
|
| 1151 |
+
ATOM 32 C C4 . DT A 1 2 ? -2.333 15.262 14.279 1.00 47.60 ? 2 DT A C4 1
|
| 1152 |
+
ATOM 33 O O4 . DT A 1 2 ? -1.381 16.012 14.077 1.00 45.98 ? 2 DT A O4 1
|
| 1153 |
+
ATOM 34 C C5 . DT A 1 2 ? -2.845 14.899 15.582 1.00 47.85 ? 2 DT A C5 1
|
| 1154 |
+
ATOM 35 C C7 . DT A 1 2 ? -2.160 15.437 16.796 1.00 45.27 ? 2 DT A C7 1
|
| 1155 |
+
ATOM 36 C C6 . DT A 1 2 ? -3.917 14.091 15.640 1.00 48.89 ? 2 DT A C6 1
|
| 1156 |
+
ATOM 37 P P . DC A 1 3 ? -4.238 8.387 16.005 1.00 56.75 ? 3 DC A P 1
|
| 1157 |
+
ATOM 38 O OP1 . DC A 1 3 ? -4.786 7.064 16.401 1.00 59.07 ? 3 DC A OP1 1
|
| 1158 |
+
ATOM 39 O OP2 . DC A 1 3 ? -3.176 9.026 16.825 1.00 56.98 ? 3 DC A OP2 1
|
| 1159 |
+
ATOM 40 O "O5'" . DC A 1 3 ? -3.765 8.325 14.478 1.00 56.57 ? 3 DC A "O5'" 1
|
| 1160 |
+
ATOM 41 C "C5'" . DC A 1 3 ? -4.681 7.950 13.454 1.00 55.01 ? 3 DC A "C5'" 1
|
| 1161 |
+
ATOM 42 C "C4'" . DC A 1 3 ? -4.137 8.323 12.094 1.00 56.48 ? 3 DC A "C4'" 1
|
| 1162 |
+
ATOM 43 O "O4'" . DC A 1 3 ? -4.001 9.759 11.976 1.00 56.59 ? 3 DC A "O4'" 1
|
| 1163 |
+
ATOM 44 C "C3'" . DC A 1 3 ? -2.748 7.788 11.787 1.00 57.47 ? 3 DC A "C3'" 1
|
| 1164 |
+
ATOM 45 O "O3'" . DC A 1 3 ? -2.818 6.427 11.335 1.00 60.79 ? 3 DC A "O3'" 1
|
| 1165 |
+
ATOM 46 C "C2'" . DC A 1 3 ? -2.294 8.730 10.687 1.00 56.23 ? 3 DC A "C2'" 1
|
| 1166 |
+
ATOM 47 C "C1'" . DC A 1 3 ? -2.884 10.070 11.135 1.00 55.32 ? 3 DC A "C1'" 1
|
| 1167 |
+
ATOM 48 N N1 . DC A 1 3 ? -1.942 10.916 11.906 1.00 53.09 ? 3 DC A N1 1
|
| 1168 |
+
ATOM 49 C C2 . DC A 1 3 ? -0.998 11.686 11.208 1.00 51.54 ? 3 DC A C2 1
|
| 1169 |
+
ATOM 50 O O2 . DC A 1 3 ? -0.990 11.642 9.969 1.00 48.91 ? 3 DC A O2 1
|
| 1170 |
+
ATOM 51 N N3 . DC A 1 3 ? -0.123 12.462 11.902 1.00 50.04 ? 3 DC A N3 1
|
| 1171 |
+
ATOM 52 C C4 . DC A 1 3 ? -0.183 12.500 13.233 1.00 50.76 ? 3 DC A C4 1
|
| 1172 |
+
ATOM 53 N N4 . DC A 1 3 ? 0.672 13.293 13.869 1.00 50.40 ? 3 DC A N4 1
|
| 1173 |
+
ATOM 54 C C5 . DC A 1 3 ? -1.130 11.726 13.971 1.00 51.12 ? 3 DC A C5 1
|
| 1174 |
+
ATOM 55 C C6 . DC A 1 3 ? -1.979 10.951 13.274 1.00 52.33 ? 3 DC A C6 1
|
| 1175 |
+
ATOM 56 P P . DC A 1 4 ? -1.538 5.452 11.502 1.00 62.92 ? 4 DC A P 1
|
| 1176 |
+
ATOM 57 O OP1 . DC A 1 4 ? -2.000 4.064 11.211 1.00 63.76 ? 4 DC A OP1 1
|
| 1177 |
+
ATOM 58 O OP2 . DC A 1 4 ? -0.882 5.761 12.820 1.00 60.76 ? 4 DC A OP2 1
|
| 1178 |
+
ATOM 59 O "O5'" . DC A 1 4 ? -0.583 5.848 10.287 1.00 60.13 ? 4 DC A "O5'" 1
|
| 1179 |
+
ATOM 60 C "C5'" . DC A 1 4 ? -1.025 5.661 8.939 1.00 57.32 ? 4 DC A "C5'" 1
|
| 1180 |
+
ATOM 61 C "C4'" . DC A 1 4 ? -0.078 6.333 7.971 1.00 56.39 ? 4 DC A "C4'" 1
|
| 1181 |
+
ATOM 62 O "O4'" . DC A 1 4 ? -0.047 7.763 8.209 1.00 55.04 ? 4 DC A "O4'" 1
|
| 1182 |
+
ATOM 63 C "C3'" . DC A 1 4 ? 1.375 5.895 8.090 1.00 56.51 ? 4 DC A "C3'" 1
|
| 1183 |
+
ATOM 64 O "O3'" . DC A 1 4 ? 1.602 4.686 7.353 1.00 59.76 ? 4 DC A "O3'" 1
|
| 1184 |
+
ATOM 65 C "C2'" . DC A 1 4 ? 2.106 7.079 7.485 1.00 54.24 ? 4 DC A "C2'" 1
|
| 1185 |
+
ATOM 66 C "C1'" . DC A 1 4 ? 1.273 8.261 7.982 1.00 50.82 ? 4 DC A "C1'" 1
|
| 1186 |
+
ATOM 67 N N1 . DC A 1 4 ? 1.765 8.881 9.236 1.00 46.43 ? 4 DC A N1 1
|
| 1187 |
+
ATOM 68 C C2 . DC A 1 4 ? 2.859 9.741 9.159 1.00 42.89 ? 4 DC A C2 1
|
| 1188 |
+
ATOM 69 O O2 . DC A 1 4 ? 3.375 9.944 8.058 1.00 45.46 ? 4 DC A O2 1
|
| 1189 |
+
ATOM 70 N N3 . DC A 1 4 ? 3.323 10.332 10.274 1.00 41.12 ? 4 DC A N3 1
|
| 1190 |
+
ATOM 71 C C4 . DC A 1 4 ? 2.726 10.100 11.445 1.00 42.04 ? 4 DC A C4 1
|
| 1191 |
+
ATOM 72 N N4 . DC A 1 4 ? 3.210 10.730 12.529 1.00 39.64 ? 4 DC A N4 1
|
| 1192 |
+
ATOM 73 C C5 . DC A 1 4 ? 1.607 9.218 11.560 1.00 40.36 ? 4 DC A C5 1
|
| 1193 |
+
ATOM 74 C C6 . DC A 1 4 ? 1.167 8.631 10.441 1.00 42.17 ? 4 DC A C6 1
|
| 1194 |
+
ATOM 75 P P . DT A 1 5 ? 2.727 3.634 7.849 1.00 61.38 ? 5 DT A P 1
|
| 1195 |
+
ATOM 76 O OP1 . DT A 1 5 ? 2.525 2.414 7.007 1.00 60.79 ? 5 DT A OP1 1
|
| 1196 |
+
ATOM 77 O OP2 . DT A 1 5 ? 2.710 3.528 9.355 1.00 57.16 ? 5 DT A OP2 1
|
| 1197 |
+
ATOM 78 O "O5'" . DT A 1 5 ? 4.096 4.296 7.374 1.00 58.88 ? 5 DT A "O5'" 1
|
| 1198 |
+
ATOM 79 C "C5'" . DT A 1 5 ? 4.309 4.582 5.992 1.00 56.37 ? 5 DT A "C5'" 1
|
| 1199 |
+
ATOM 80 C "C4'" . DT A 1 5 ? 5.550 5.425 5.821 1.00 55.73 ? 5 DT A "C4'" 1
|
| 1200 |
+
ATOM 81 O "O4'" . DT A 1 5 ? 5.350 6.728 6.414 1.00 55.23 ? 5 DT A "O4'" 1
|
| 1201 |
+
ATOM 82 C "C3'" . DT A 1 5 ? 6.774 4.892 6.545 1.00 57.04 ? 5 DT A "C3'" 1
|
| 1202 |
+
ATOM 83 O "O3'" . DT A 1 5 ? 7.411 3.852 5.804 1.00 59.02 ? 5 DT A "O3'" 1
|
| 1203 |
+
ATOM 84 C "C2'" . DT A 1 5 ? 7.640 6.132 6.648 1.00 54.84 ? 5 DT A "C2'" 1
|
| 1204 |
+
ATOM 85 C "C1'" . DT A 1 5 ? 6.602 7.221 6.909 1.00 52.32 ? 5 DT A "C1'" 1
|
| 1205 |
+
ATOM 86 N N1 . DT A 1 5 ? 6.431 7.549 8.337 1.00 47.82 ? 5 DT A N1 1
|
| 1206 |
+
ATOM 87 C C2 . DT A 1 5 ? 7.289 8.481 8.904 1.00 45.07 ? 5 DT A C2 1
|
| 1207 |
+
ATOM 88 O O2 . DT A 1 5 ? 8.181 9.042 8.282 1.00 42.51 ? 5 DT A O2 1
|
| 1208 |
+
ATOM 89 N N3 . DT A 1 5 ? 7.063 8.734 10.233 1.00 43.76 ? 5 DT A N3 1
|
| 1209 |
+
ATOM 90 C C4 . DT A 1 5 ? 6.091 8.165 11.025 1.00 45.43 ? 5 DT A C4 1
|
| 1210 |
+
ATOM 91 O O4 . DT A 1 5 ? 5.992 8.505 12.198 1.00 48.29 ? 5 DT A O4 1
|
| 1211 |
+
ATOM 92 C C5 . DT A 1 5 ? 5.237 7.188 10.370 1.00 45.84 ? 5 DT A C5 1
|
| 1212 |
+
ATOM 93 C C7 . DT A 1 5 ? 4.177 6.506 11.173 1.00 43.73 ? 5 DT A C7 1
|
| 1213 |
+
ATOM 94 C C6 . DT A 1 5 ? 5.443 6.937 9.074 1.00 45.36 ? 5 DT A C6 1
|
| 1214 |
+
ATOM 95 P P . DC A 1 6 ? 8.228 2.710 6.590 1.00 60.32 ? 6 DC A P 1
|
| 1215 |
+
ATOM 96 O OP1 . DC A 1 6 ? 8.532 1.655 5.588 1.00 61.15 ? 6 DC A OP1 1
|
| 1216 |
+
ATOM 97 O OP2 . DC A 1 6 ? 7.524 2.354 7.875 1.00 58.89 ? 6 DC A OP2 1
|
| 1217 |
+
ATOM 98 O "O5'" . DC A 1 6 ? 9.582 3.431 7.022 1.00 59.32 ? 6 DC A "O5'" 1
|
| 1218 |
+
ATOM 99 C "C5'" . DC A 1 6 ? 10.556 3.819 6.064 1.00 56.39 ? 6 DC A "C5'" 1
|
| 1219 |
+
ATOM 100 C "C4'" . DC A 1 6 ? 11.645 4.607 6.750 1.00 55.49 ? 6 DC A "C4'" 1
|
| 1220 |
+
ATOM 101 O "O4'" . DC A 1 6 ? 11.080 5.830 7.281 1.00 54.68 ? 6 DC A "O4'" 1
|
| 1221 |
+
ATOM 102 C "C3'" . DC A 1 6 ? 12.250 3.942 7.984 1.00 56.04 ? 6 DC A "C3'" 1
|
| 1222 |
+
ATOM 103 O "O3'" . DC A 1 6 ? 13.238 2.953 7.644 1.00 58.48 ? 6 DC A "O3'" 1
|
| 1223 |
+
ATOM 104 C "C2'" . DC A 1 6 ? 12.873 5.135 8.681 1.00 53.64 ? 6 DC A "C2'" 1
|
| 1224 |
+
ATOM 105 C "C1'" . DC A 1 6 ? 11.834 6.227 8.434 1.00 51.04 ? 6 DC A "C1'" 1
|
| 1225 |
+
ATOM 106 N N1 . DC A 1 6 ? 10.919 6.361 9.574 1.00 46.61 ? 6 DC A N1 1
|
| 1226 |
+
ATOM 107 C C2 . DC A 1 6 ? 11.339 7.127 10.667 1.00 44.24 ? 6 DC A C2 1
|
| 1227 |
+
ATOM 108 O O2 . DC A 1 6 ? 12.439 7.706 10.596 1.00 43.14 ? 6 DC A O2 1
|
| 1228 |
+
ATOM 109 N N3 . DC A 1 6 ? 10.545 7.219 11.765 1.00 41.24 ? 6 DC A N3 1
|
| 1229 |
+
ATOM 110 C C4 . DC A 1 6 ? 9.374 6.578 11.794 1.00 42.60 ? 6 DC A C4 1
|
| 1230 |
+
ATOM 111 N N4 . DC A 1 6 ? 8.639 6.661 12.913 1.00 43.10 ? 6 DC A N4 1
|
| 1231 |
+
ATOM 112 C C5 . DC A 1 6 ? 8.905 5.811 10.679 1.00 44.40 ? 6 DC A C5 1
|
| 1232 |
+
ATOM 113 C C6 . DC A 1 6 ? 9.703 5.736 9.596 1.00 45.07 ? 6 DC A C6 1
|
| 1233 |
+
ATOM 114 P P . DT A 1 7 ? 13.443 1.652 8.593 1.00 58.33 ? 7 DT A P 1
|
| 1234 |
+
ATOM 115 O OP1 . DT A 1 7 ? 14.330 0.730 7.823 1.00 56.83 ? 7 DT A OP1 1
|
| 1235 |
+
ATOM 116 O OP2 . DT A 1 7 ? 12.103 1.184 9.049 1.00 57.28 ? 7 DT A OP2 1
|
| 1236 |
+
ATOM 117 O "O5'" . DT A 1 7 ? 14.240 2.198 9.871 1.00 55.35 ? 7 DT A "O5'" 1
|
| 1237 |
+
ATOM 118 C "C5'" . DT A 1 7 ? 15.552 2.742 9.715 1.00 50.61 ? 7 DT A "C5'" 1
|
| 1238 |
+
ATOM 119 C "C4'" . DT A 1 7 ? 15.949 3.556 10.923 1.00 49.05 ? 7 DT A "C4'" 1
|
| 1239 |
+
ATOM 120 O "O4'" . DT A 1 7 ? 15.003 4.619 11.171 1.00 48.64 ? 7 DT A "O4'" 1
|
| 1240 |
+
ATOM 121 C "C3'" . DT A 1 7 ? 16.003 2.794 12.237 1.00 49.23 ? 7 DT A "C3'" 1
|
| 1241 |
+
ATOM 122 O "O3'" . DT A 1 7 ? 17.249 2.100 12.330 1.00 49.14 ? 7 DT A "O3'" 1
|
| 1242 |
+
ATOM 123 C "C2'" . DT A 1 7 ? 15.909 3.920 13.254 1.00 46.94 ? 7 DT A "C2'" 1
|
| 1243 |
+
ATOM 124 C "C1'" . DT A 1 7 ? 14.947 4.896 12.575 1.00 45.43 ? 7 DT A "C1'" 1
|
| 1244 |
+
ATOM 125 N N1 . DT A 1 7 ? 13.562 4.710 13.018 1.00 42.62 ? 7 DT A N1 1
|
| 1245 |
+
ATOM 126 C C2 . DT A 1 7 ? 13.182 5.299 14.204 1.00 40.86 ? 7 DT A C2 1
|
| 1246 |
+
ATOM 127 O O2 . DT A 1 7 ? 13.925 6.012 14.861 1.00 41.78 ? 7 DT A O2 1
|
| 1247 |
+
ATOM 128 N N3 . DT A 1 7 ? 11.896 5.035 14.591 1.00 37.79 ? 7 DT A N3 1
|
| 1248 |
+
ATOM 129 C C4 . DT A 1 7 ? 10.964 4.285 13.920 1.00 39.62 ? 7 DT A C4 1
|
| 1249 |
+
ATOM 130 O O4 . DT A 1 7 ? 9.832 4.146 14.394 1.00 40.58 ? 7 DT A O4 1
|
| 1250 |
+
ATOM 131 C C5 . DT A 1 7 ? 11.420 3.716 12.660 1.00 41.37 ? 7 DT A C5 1
|
| 1251 |
+
ATOM 132 C C7 . DT A 1 7 ? 10.467 2.897 11.845 1.00 39.01 ? 7 DT A C7 1
|
| 1252 |
+
ATOM 133 C C6 . DT A 1 7 ? 12.683 3.953 12.280 1.00 41.28 ? 7 DT A C6 1
|
| 1253 |
+
ATOM 134 P P . DT A 1 8 ? 17.339 0.734 13.171 1.00 51.09 ? 8 DT A P 1
|
| 1254 |
+
ATOM 135 O OP1 . DT A 1 8 ? 18.616 0.079 12.777 1.00 50.75 ? 8 DT A OP1 1
|
| 1255 |
+
ATOM 136 O OP2 . DT A 1 8 ? 16.042 0.002 12.999 1.00 45.81 ? 8 DT A OP2 1
|
| 1256 |
+
ATOM 137 O "O5'" . DT A 1 8 ? 17.488 1.232 14.684 1.00 49.29 ? 8 DT A "O5'" 1
|
| 1257 |
+
ATOM 138 C "C5'" . DT A 1 8 ? 18.578 2.060 15.063 1.00 47.19 ? 8 DT A "C5'" 1
|
| 1258 |
+
ATOM 139 C "C4'" . DT A 1 8 ? 18.342 2.603 16.448 1.00 48.76 ? 8 DT A "C4'" 1
|
| 1259 |
+
ATOM 140 O "O4'" . DT A 1 8 ? 17.050 3.221 16.447 1.00 49.03 ? 8 DT A "O4'" 1
|
| 1260 |
+
ATOM 141 C "C3'" . DT A 1 8 ? 18.282 1.558 17.558 1.00 49.30 ? 8 DT A "C3'" 1
|
| 1261 |
+
ATOM 142 O "O3'" . DT A 1 8 ? 19.588 1.471 18.144 1.00 52.31 ? 8 DT A "O3'" 1
|
| 1262 |
+
ATOM 143 C "C2'" . DT A 1 8 ? 17.330 2.176 18.564 1.00 47.87 ? 8 DT A "C2'" 1
|
| 1263 |
+
ATOM 144 C "C1'" . DT A 1 8 ? 16.469 3.116 17.736 1.00 47.13 ? 8 DT A "C1'" 1
|
| 1264 |
+
ATOM 145 N N1 . DT A 1 8 ? 15.061 2.755 17.566 1.00 43.96 ? 8 DT A N1 1
|
| 1265 |
+
ATOM 146 C C2 . DT A 1 8 ? 14.209 3.108 18.571 1.00 42.98 ? 8 DT A C2 1
|
| 1266 |
+
ATOM 147 O O2 . DT A 1 8 ? 14.594 3.605 19.612 1.00 43.22 ? 8 DT A O2 1
|
| 1267 |
+
ATOM 148 N N3 . DT A 1 8 ? 12.886 2.859 18.315 1.00 42.10 ? 8 DT A N3 1
|
| 1268 |
+
ATOM 149 C C4 . DT A 1 8 ? 12.353 2.290 17.178 1.00 41.63 ? 8 DT A C4 1
|
| 1269 |
+
ATOM 150 O O4 . DT A 1 8 ? 11.136 2.162 17.067 1.00 40.59 ? 8 DT A O4 1
|
| 1270 |
+
ATOM 151 C C5 . DT A 1 8 ? 13.318 1.892 16.179 1.00 42.07 ? 8 DT A C5 1
|
| 1271 |
+
ATOM 152 C C7 . DT A 1 8 ? 12.833 1.236 14.925 1.00 39.96 ? 8 DT A C7 1
|
| 1272 |
+
ATOM 153 C C6 . DT A 1 8 ? 14.613 2.136 16.423 1.00 42.64 ? 8 DT A C6 1
|
| 1273 |
+
ATOM 154 P P . DC A 1 9 ? 19.888 0.386 19.292 1.00 54.45 ? 9 DC A P 1
|
| 1274 |
+
ATOM 155 O OP1 . DC A 1 9 ? 21.270 0.584 19.837 1.00 53.69 ? 9 DC A OP1 1
|
| 1275 |
+
ATOM 156 O OP2 . DC A 1 9 ? 19.510 -0.906 18.662 1.00 53.53 ? 9 DC A OP2 1
|
| 1276 |
+
ATOM 157 O "O5'" . DC A 1 9 ? 18.843 0.710 20.458 1.00 54.25 ? 9 DC A "O5'" 1
|
| 1277 |
+
ATOM 158 C "C5'" . DC A 1 9 ? 19.102 1.719 21.436 1.00 53.48 ? 9 DC A "C5'" 1
|
| 1278 |
+
ATOM 159 C "C4'" . DC A 1 9 ? 18.004 1.727 22.477 1.00 53.16 ? 9 DC A "C4'" 1
|
| 1279 |
+
ATOM 160 O "O4'" . DC A 1 9 ? 16.749 2.045 21.853 1.00 54.31 ? 9 DC A "O4'" 1
|
| 1280 |
+
ATOM 161 C "C3'" . DC A 1 9 ? 17.752 0.392 23.168 1.00 52.69 ? 9 DC A "C3'" 1
|
| 1281 |
+
ATOM 162 O "O3'" . DC A 1 9 ? 18.578 0.374 24.321 1.00 53.58 ? 9 DC A "O3'" 1
|
| 1282 |
+
ATOM 163 C "C2'" . DC A 1 9 ? 16.305 0.493 23.605 1.00 52.94 ? 9 DC A "C2'" 1
|
| 1283 |
+
ATOM 164 C "C1'" . DC A 1 9 ? 15.689 1.467 22.608 1.00 52.02 ? 9 DC A "C1'" 1
|
| 1284 |
+
ATOM 165 N N1 . DC A 1 9 ? 14.718 0.893 21.671 1.00 51.19 ? 9 DC A N1 1
|
| 1285 |
+
ATOM 166 C C2 . DC A 1 9 ? 13.369 0.935 22.021 1.00 49.41 ? 9 DC A C2 1
|
| 1286 |
+
ATOM 167 O O2 . DC A 1 9 ? 13.060 1.412 23.118 1.00 49.80 ? 9 DC A O2 1
|
| 1287 |
+
ATOM 168 N N3 . DC A 1 9 ? 12.439 0.465 21.160 1.00 49.16 ? 9 DC A N3 1
|
| 1288 |
+
ATOM 169 C C4 . DC A 1 9 ? 12.818 -0.029 19.980 1.00 49.30 ? 9 DC A C4 1
|
| 1289 |
+
ATOM 170 N N4 . DC A 1 9 ? 11.859 -0.425 19.140 1.00 47.78 ? 9 DC A N4 1
|
| 1290 |
+
ATOM 171 C C5 . DC A 1 9 ? 14.198 -0.122 19.605 1.00 50.21 ? 9 DC A C5 1
|
| 1291 |
+
ATOM 172 C C6 . DC A 1 9 ? 15.108 0.348 20.477 1.00 50.54 ? 9 DC A C6 1
|
| 1292 |
+
ATOM 173 O "O5'" . G B 2 1 ? 2.401 1.380 23.390 1.00 63.29 ? 10 G B "O5'" 1
|
| 1293 |
+
ATOM 174 C "C5'" . G B 2 1 ? 2.242 1.265 24.819 1.00 60.19 ? 10 G B "C5'" 1
|
| 1294 |
+
ATOM 175 C "C4'" . G B 2 1 ? 3.547 1.466 25.548 1.00 58.43 ? 10 G B "C4'" 1
|
| 1295 |
+
ATOM 176 O "O4'" . G B 2 1 ? 4.424 0.331 25.316 1.00 56.50 ? 10 G B "O4'" 1
|
| 1296 |
+
ATOM 177 C "C3'" . G B 2 1 ? 4.353 2.664 25.081 1.00 57.87 ? 10 G B "C3'" 1
|
| 1297 |
+
ATOM 178 O "O3'" . G B 2 1 ? 3.904 3.844 25.719 1.00 58.61 ? 10 G B "O3'" 1
|
| 1298 |
+
ATOM 179 C "C2'" . G B 2 1 ? 5.764 2.281 25.506 1.00 56.95 ? 10 G B "C2'" 1
|
| 1299 |
+
ATOM 180 O "O2'" . G B 2 1 ? 6.028 2.511 26.880 1.00 58.56 ? 10 G B "O2'" 1
|
| 1300 |
+
ATOM 181 C "C1'" . G B 2 1 ? 5.764 0.781 25.208 1.00 54.64 ? 10 G B "C1'" 1
|
| 1301 |
+
ATOM 182 N N9 . G B 2 1 ? 6.248 0.507 23.857 1.00 51.42 ? 10 G B N9 1
|
| 1302 |
+
ATOM 183 C C8 . G B 2 1 ? 5.514 0.185 22.743 1.00 50.44 ? 10 G B C8 1
|
| 1303 |
+
ATOM 184 N N7 . G B 2 1 ? 6.247 0.054 21.671 1.00 49.26 ? 10 G B N7 1
|
| 1304 |
+
ATOM 185 C C5 . G B 2 1 ? 7.541 0.297 22.111 1.00 47.88 ? 10 G B C5 1
|
| 1305 |
+
ATOM 186 C C6 . G B 2 1 ? 8.766 0.321 21.403 1.00 47.31 ? 10 G B C6 1
|
| 1306 |
+
ATOM 187 O O6 . G B 2 1 ? 8.968 0.130 20.197 1.00 48.04 ? 10 G B O6 1
|
| 1307 |
+
ATOM 188 N N1 . G B 2 1 ? 9.833 0.609 22.244 1.00 45.45 ? 10 G B N1 1
|
| 1308 |
+
ATOM 189 C C2 . G B 2 1 ? 9.733 0.848 23.588 1.00 46.70 ? 10 G B C2 1
|
| 1309 |
+
ATOM 190 N N2 . G B 2 1 ? 10.876 1.114 24.245 1.00 48.12 ? 10 G B N2 1
|
| 1310 |
+
ATOM 191 N N3 . G B 2 1 ? 8.603 0.833 24.250 1.00 48.09 ? 10 G B N3 1
|
| 1311 |
+
ATOM 192 C C4 . G B 2 1 ? 7.555 0.557 23.457 1.00 48.72 ? 10 G B C4 1
|
| 1312 |
+
ATOM 193 P P . A B 2 2 ? 4.347 5.277 25.148 1.00 61.46 ? 11 A B P 1
|
| 1313 |
+
ATOM 194 O OP1 . A B 2 2 ? 3.765 6.303 26.069 1.00 62.02 ? 11 A B OP1 1
|
| 1314 |
+
ATOM 195 O OP2 . A B 2 2 ? 4.067 5.346 23.677 1.00 60.55 ? 11 A B OP2 1
|
| 1315 |
+
ATOM 196 O "O5'" . A B 2 2 ? 5.928 5.308 25.346 1.00 60.25 ? 11 A B "O5'" 1
|
| 1316 |
+
ATOM 197 C "C5'" . A B 2 2 ? 6.492 5.549 26.629 1.00 57.50 ? 11 A B "C5'" 1
|
| 1317 |
+
ATOM 198 C "C4'" . A B 2 2 ? 7.985 5.657 26.513 1.00 55.71 ? 11 A B "C4'" 1
|
| 1318 |
+
ATOM 199 O "O4'" . A B 2 2 ? 8.475 4.431 25.911 1.00 52.33 ? 11 A B "O4'" 1
|
| 1319 |
+
ATOM 200 C "C3'" . A B 2 2 ? 8.491 6.734 25.567 1.00 56.54 ? 11 A B "C3'" 1
|
| 1320 |
+
ATOM 201 O "O3'" . A B 2 2 ? 8.534 8.031 26.160 1.00 60.05 ? 11 A B "O3'" 1
|
| 1321 |
+
ATOM 202 C "C2'" . A B 2 2 ? 9.879 6.212 25.225 1.00 53.81 ? 11 A B "C2'" 1
|
| 1322 |
+
ATOM 203 O "O2'" . A B 2 2 ? 10.845 6.430 26.235 1.00 52.14 ? 11 A B "O2'" 1
|
| 1323 |
+
ATOM 204 C "C1'" . A B 2 2 ? 9.594 4.718 25.093 1.00 50.26 ? 11 A B "C1'" 1
|
| 1324 |
+
ATOM 205 N N9 . A B 2 2 ? 9.253 4.383 23.717 1.00 44.99 ? 11 A B N9 1
|
| 1325 |
+
ATOM 206 C C8 . A B 2 2 ? 8.018 4.214 23.157 1.00 42.02 ? 11 A B C8 1
|
| 1326 |
+
ATOM 207 N N7 . A B 2 2 ? 8.056 3.931 21.883 1.00 41.01 ? 11 A B N7 1
|
| 1327 |
+
ATOM 208 C C5 . A B 2 2 ? 9.415 3.901 21.589 1.00 39.48 ? 11 A B C5 1
|
| 1328 |
+
ATOM 209 C C6 . A B 2 2 ? 10.126 3.639 20.395 1.00 37.22 ? 11 A B C6 1
|
| 1329 |
+
ATOM 210 N N6 . A B 2 2 ? 9.547 3.309 19.258 1.00 36.15 ? 11 A B N6 1
|
| 1330 |
+
ATOM 211 N N1 . A B 2 2 ? 11.467 3.713 20.429 1.00 38.02 ? 11 A B N1 1
|
| 1331 |
+
ATOM 212 C C2 . A B 2 2 ? 12.057 4.003 21.606 1.00 41.12 ? 11 A B C2 1
|
| 1332 |
+
ATOM 213 N N3 . A B 2 2 ? 11.496 4.244 22.798 1.00 39.43 ? 11 A B N3 1
|
| 1333 |
+
ATOM 214 C C4 . A B 2 2 ? 10.157 4.180 22.710 1.00 40.02 ? 11 A B C4 1
|
| 1334 |
+
ATOM 215 P P . A B 2 3 ? 8.635 9.335 25.212 1.00 63.37 ? 12 A B P 1
|
| 1335 |
+
ATOM 216 O OP1 . A B 2 3 ? 8.314 10.534 26.033 1.00 62.69 ? 12 A B OP1 1
|
| 1336 |
+
ATOM 217 O OP2 . A B 2 3 ? 7.882 9.072 23.937 1.00 61.72 ? 12 A B OP2 1
|
| 1337 |
+
ATOM 218 O "O5'" . A B 2 3 ? 10.181 9.422 24.838 1.00 62.49 ? 12 A B "O5'" 1
|
| 1338 |
+
ATOM 219 C "C5'" . A B 2 3 ? 10.600 10.058 23.643 1.00 58.21 ? 12 A B "C5'" 1
|
| 1339 |
+
ATOM 220 C "C4'" . A B 2 3 ? 11.866 9.426 23.138 1.00 56.15 ? 12 A B "C4'" 1
|
| 1340 |
+
ATOM 221 O "O4'" . A B 2 3 ? 11.660 8.011 22.865 1.00 54.79 ? 12 A B "O4'" 1
|
| 1341 |
+
ATOM 222 C "C3'" . A B 2 3 ? 12.295 9.986 21.803 1.00 56.57 ? 12 A B "C3'" 1
|
| 1342 |
+
ATOM 223 O "O3'" . A B 2 3 ? 12.989 11.192 22.020 1.00 58.85 ? 12 A B "O3'" 1
|
| 1343 |
+
ATOM 224 C "C2'" . A B 2 3 ? 13.158 8.870 21.238 1.00 53.79 ? 12 A B "C2'" 1
|
| 1344 |
+
ATOM 225 O "O2'" . A B 2 3 ? 14.460 8.857 21.794 1.00 53.07 ? 12 A B "O2'" 1
|
| 1345 |
+
ATOM 226 C "C1'" . A B 2 3 ? 12.359 7.644 21.681 1.00 51.38 ? 12 A B "C1'" 1
|
| 1346 |
+
ATOM 227 N N9 . A B 2 3 ? 11.362 7.243 20.689 1.00 47.72 ? 12 A B N9 1
|
| 1347 |
+
ATOM 228 C C8 . A B 2 3 ? 10.003 7.216 20.835 1.00 46.41 ? 12 A B C8 1
|
| 1348 |
+
ATOM 229 N N7 . A B 2 3 ? 9.370 6.791 19.772 1.00 45.13 ? 12 A B N7 1
|
| 1349 |
+
ATOM 230 C C5 . A B 2 3 ? 10.381 6.534 18.868 1.00 43.96 ? 12 A B C5 1
|
| 1350 |
+
ATOM 231 C C6 . A B 2 3 ? 10.368 6.058 17.540 1.00 44.51 ? 12 A B C6 1
|
| 1351 |
+
ATOM 232 N N6 . A B 2 3 ? 9.254 5.736 16.872 1.00 40.67 ? 12 A B N6 1
|
| 1352 |
+
ATOM 233 N N1 . A B 2 3 ? 11.555 5.915 16.919 1.00 44.75 ? 12 A B N1 1
|
| 1353 |
+
ATOM 234 C C2 . A B 2 3 ? 12.670 6.221 17.595 1.00 45.37 ? 12 A B C2 1
|
| 1354 |
+
ATOM 235 N N3 . A B 2 3 ? 12.804 6.670 18.842 1.00 44.41 ? 12 A B N3 1
|
| 1355 |
+
ATOM 236 C C4 . A B 2 3 ? 11.612 6.806 19.421 1.00 43.14 ? 12 A B C4 1
|
| 1356 |
+
ATOM 237 P P . G B 2 4 ? 12.485 12.521 21.291 1.00 58.59 ? 13 G B P 1
|
| 1357 |
+
ATOM 238 O OP1 . G B 2 4 ? 12.814 13.630 22.223 1.00 59.81 ? 13 G B OP1 1
|
| 1358 |
+
ATOM 239 O OP2 . G B 2 4 ? 11.076 12.296 20.874 1.00 59.05 ? 13 G B OP2 1
|
| 1359 |
+
ATOM 240 O "O5'" . G B 2 4 ? 13.418 12.594 20.007 1.00 55.62 ? 13 G B "O5'" 1
|
| 1360 |
+
ATOM 241 C "C5'" . G B 2 4 ? 14.826 12.546 20.175 1.00 55.33 ? 13 G B "C5'" 1
|
| 1361 |
+
ATOM 242 C "C4'" . G B 2 4 ? 15.504 12.077 18.915 1.00 55.17 ? 13 G B "C4'" 1
|
| 1362 |
+
ATOM 243 O "O4'" . G B 2 4 ? 15.243 10.665 18.657 1.00 53.71 ? 13 G B "O4'" 1
|
| 1363 |
+
ATOM 244 C "C3'" . G B 2 4 ? 15.020 12.746 17.649 1.00 56.77 ? 13 G B "C3'" 1
|
| 1364 |
+
ATOM 245 O "O3'" . G B 2 4 ? 15.489 14.083 17.556 1.00 56.94 ? 13 G B "O3'" 1
|
| 1365 |
+
ATOM 246 C "C2'" . G B 2 4 ? 15.552 11.782 16.596 1.00 54.57 ? 13 G B "C2'" 1
|
| 1366 |
+
ATOM 247 O "O2'" . G B 2 4 ? 16.964 11.877 16.453 1.00 55.36 ? 13 G B "O2'" 1
|
| 1367 |
+
ATOM 248 C "C1'" . G B 2 4 ? 15.185 10.446 17.249 1.00 52.08 ? 13 G B "C1'" 1
|
| 1368 |
+
ATOM 249 N N9 . G B 2 4 ? 13.832 10.007 16.903 1.00 48.56 ? 13 G B N9 1
|
| 1369 |
+
ATOM 250 C C8 . G B 2 4 ? 12.711 9.983 17.710 1.00 46.96 ? 13 G B C8 1
|
| 1370 |
+
ATOM 251 N N7 . G B 2 4 ? 11.648 9.517 17.101 1.00 45.29 ? 13 G B N7 1
|
| 1371 |
+
ATOM 252 C C5 . G B 2 4 ? 12.091 9.224 15.812 1.00 44.14 ? 13 G B C5 1
|
| 1372 |
+
ATOM 253 C C6 . G B 2 4 ? 11.392 8.695 14.679 1.00 41.53 ? 13 G B C6 1
|
| 1373 |
+
ATOM 254 O O6 . G B 2 4 ? 10.201 8.373 14.579 1.00 41.58 ? 13 G B O6 1
|
| 1374 |
+
ATOM 255 N N1 . G B 2 4 ? 12.230 8.560 13.578 1.00 39.21 ? 13 G B N1 1
|
| 1375 |
+
ATOM 256 C C2 . G B 2 4 ? 13.562 8.894 13.549 1.00 42.54 ? 13 G B C2 1
|
| 1376 |
+
ATOM 257 N N2 . G B 2 4 ? 14.204 8.713 12.375 1.00 41.55 ? 13 G B N2 1
|
| 1377 |
+
ATOM 258 N N3 . G B 2 4 ? 14.226 9.379 14.591 1.00 44.87 ? 13 G B N3 1
|
| 1378 |
+
ATOM 259 C C4 . G B 2 4 ? 13.435 9.521 15.678 1.00 46.32 ? 13 G B C4 1
|
| 1379 |
+
ATOM 260 P P . A B 2 5 ? 14.449 15.253 17.163 1.00 59.65 ? 14 A B P 1
|
| 1380 |
+
ATOM 261 O OP1 . A B 2 5 ? 15.284 16.499 17.167 1.00 61.05 ? 14 A B OP1 1
|
| 1381 |
+
ATOM 262 O OP2 . A B 2 5 ? 13.187 15.177 17.985 1.00 55.72 ? 14 A B OP2 1
|
| 1382 |
+
ATOM 263 O "O5'" . A B 2 5 ? 14.076 14.929 15.643 1.00 55.18 ? 14 A B "O5'" 1
|
| 1383 |
+
ATOM 264 C "C5'" . A B 2 5 ? 15.094 14.985 14.664 1.00 49.68 ? 14 A B "C5'" 1
|
| 1384 |
+
ATOM 265 C "C4'" . A B 2 5 ? 14.630 14.389 13.371 1.00 47.11 ? 14 A B "C4'" 1
|
| 1385 |
+
ATOM 266 O "O4'" . A B 2 5 ? 14.229 13.010 13.557 1.00 45.02 ? 14 A B "O4'" 1
|
| 1386 |
+
ATOM 267 C "C3'" . A B 2 5 ? 13.402 14.965 12.708 1.00 45.61 ? 14 A B "C3'" 1
|
| 1387 |
+
ATOM 268 O "O3'" . A B 2 5 ? 13.675 16.222 12.124 1.00 46.42 ? 14 A B "O3'" 1
|
| 1388 |
+
ATOM 269 C "C2'" . A B 2 5 ? 13.183 13.893 11.653 1.00 45.37 ? 14 A B "C2'" 1
|
| 1389 |
+
ATOM 270 O "O2'" . A B 2 5 ? 14.253 13.893 10.720 1.00 44.46 ? 14 A B "O2'" 1
|
| 1390 |
+
ATOM 271 C "C1'" . A B 2 5 ? 13.328 12.642 12.514 1.00 41.47 ? 14 A B "C1'" 1
|
| 1391 |
+
ATOM 272 N N9 . A B 2 5 ? 12.049 12.273 13.112 1.00 36.76 ? 14 A B N9 1
|
| 1392 |
+
ATOM 273 C C8 . A B 2 5 ? 11.608 12.521 14.394 1.00 35.34 ? 14 A B C8 1
|
| 1393 |
+
ATOM 274 N N7 . A B 2 5 ? 10.395 12.072 14.632 1.00 34.54 ? 14 A B N7 1
|
| 1394 |
+
ATOM 275 C C5 . A B 2 5 ? 10.010 11.490 13.430 1.00 32.73 ? 14 A B C5 1
|
| 1395 |
+
ATOM 276 C C6 . A B 2 5 ? 8.835 10.841 13.022 1.00 31.90 ? 14 A B C6 1
|
| 1396 |
+
ATOM 277 N N6 . A B 2 5 ? 7.787 10.642 13.821 1.00 31.09 ? 14 A B N6 1
|
| 1397 |
+
ATOM 278 N N1 . A B 2 5 ? 8.774 10.385 11.738 1.00 30.77 ? 14 A B N1 1
|
| 1398 |
+
ATOM 279 C C2 . A B 2 5 ? 9.838 10.562 10.952 1.00 26.29 ? 14 A B C2 1
|
| 1399 |
+
ATOM 280 N N3 . A B 2 5 ? 10.996 11.149 11.220 1.00 29.32 ? 14 A B N3 1
|
| 1400 |
+
ATOM 281 C C4 . A B 2 5 ? 11.022 11.604 12.483 1.00 34.75 ? 14 A B C4 1
|
| 1401 |
+
ATOM 282 P P . G B 2 6 ? 12.501 17.316 12.014 1.00 46.80 ? 15 G B P 1
|
| 1402 |
+
ATOM 283 O OP1 . G B 2 6 ? 13.203 18.609 11.798 1.00 47.04 ? 15 G B OP1 1
|
| 1403 |
+
ATOM 284 O OP2 . G B 2 6 ? 11.564 17.166 13.156 1.00 41.84 ? 15 G B OP2 1
|
| 1404 |
+
ATOM 285 O "O5'" . G B 2 6 ? 11.733 16.907 10.672 1.00 43.82 ? 15 G B "O5'" 1
|
| 1405 |
+
ATOM 286 C "C5'" . G B 2 6 ? 12.463 16.676 9.471 1.00 42.61 ? 15 G B "C5'" 1
|
| 1406 |
+
ATOM 287 C "C4'" . G B 2 6 ? 11.595 15.987 8.441 1.00 43.36 ? 15 G B "C4'" 1
|
| 1407 |
+
ATOM 288 O "O4'" . G B 2 6 ? 11.212 14.666 8.896 1.00 41.06 ? 15 G B "O4'" 1
|
| 1408 |
+
ATOM 289 C "C3'" . G B 2 6 ? 10.278 16.667 8.124 1.00 44.16 ? 15 G B "C3'" 1
|
| 1409 |
+
ATOM 290 O "O3'" . G B 2 6 ? 10.504 17.684 7.156 1.00 47.24 ? 15 G B "O3'" 1
|
| 1410 |
+
ATOM 291 C "C2'" . G B 2 6 ? 9.475 15.520 7.525 1.00 41.99 ? 15 G B "C2'" 1
|
| 1411 |
+
ATOM 292 O "O2'" . G B 2 6 ? 9.850 15.292 6.178 1.00 40.56 ? 15 G B "O2'" 1
|
| 1412 |
+
ATOM 293 C "C1'" . G B 2 6 ? 9.928 14.345 8.398 1.00 39.64 ? 15 G B "C1'" 1
|
| 1413 |
+
ATOM 294 N N9 . G B 2 6 ? 9.059 14.108 9.540 1.00 38.36 ? 15 G B N9 1
|
| 1414 |
+
ATOM 295 C C8 . G B 2 6 ? 9.187 14.646 10.800 1.00 36.84 ? 15 G B C8 1
|
| 1415 |
+
ATOM 296 N N7 . G B 2 6 ? 8.232 14.277 11.613 1.00 36.41 ? 15 G B N7 1
|
| 1416 |
+
ATOM 297 C C5 . G B 2 6 ? 7.435 13.428 10.849 1.00 35.88 ? 15 G B C5 1
|
| 1417 |
+
ATOM 298 C C6 . G B 2 6 ? 6.245 12.733 11.184 1.00 36.20 ? 15 G B C6 1
|
| 1418 |
+
ATOM 299 O O6 . G B 2 6 ? 5.645 12.713 12.267 1.00 39.54 ? 15 G B O6 1
|
| 1419 |
+
ATOM 300 N N1 . G B 2 6 ? 5.744 12.012 10.102 1.00 35.14 ? 15 G B N1 1
|
| 1420 |
+
ATOM 301 C C2 . G B 2 6 ? 6.325 11.966 8.856 1.00 36.98 ? 15 G B C2 1
|
| 1421 |
+
ATOM 302 N N2 . G B 2 6 ? 5.703 11.228 7.928 1.00 37.00 ? 15 G B N2 1
|
| 1422 |
+
ATOM 303 N N3 . G B 2 6 ? 7.441 12.602 8.535 1.00 38.04 ? 15 G B N3 1
|
| 1423 |
+
ATOM 304 C C4 . G B 2 6 ? 7.935 13.313 9.569 1.00 37.91 ? 15 G B C4 1
|
| 1424 |
+
ATOM 305 P P . A B 2 7 ? 10.347 19.228 7.571 1.00 49.14 ? 16 A B P 1
|
| 1425 |
+
ATOM 306 O OP1 . A B 2 7 ? 11.705 19.672 8.014 1.00 48.97 ? 16 A B OP1 1
|
| 1426 |
+
ATOM 307 O OP2 . A B 2 7 ? 9.175 19.385 8.481 1.00 44.39 ? 16 A B OP2 1
|
| 1427 |
+
ATOM 308 O "O5'" . A B 2 7 ? 10.036 19.956 6.185 1.00 45.69 ? 16 A B "O5'" 1
|
| 1428 |
+
ATOM 309 C "C5'" . A B 2 7 ? 8.709 20.171 5.740 1.00 43.04 ? 16 A B "C5'" 1
|
| 1429 |
+
ATOM 310 C "C4'" . A B 2 7 ? 8.732 20.514 4.272 1.00 42.59 ? 16 A B "C4'" 1
|
| 1430 |
+
ATOM 311 O "O4'" . A B 2 7 ? 9.549 21.698 4.086 1.00 41.49 ? 16 A B "O4'" 1
|
| 1431 |
+
ATOM 312 C "C3'" . A B 2 7 ? 9.418 19.465 3.414 1.00 44.38 ? 16 A B "C3'" 1
|
| 1432 |
+
ATOM 313 O "O3'" . A B 2 7 ? 8.496 18.451 3.043 1.00 45.10 ? 16 A B "O3'" 1
|
| 1433 |
+
ATOM 314 C "C2'" . A B 2 7 ? 9.895 20.289 2.221 1.00 43.21 ? 16 A B "C2'" 1
|
| 1434 |
+
ATOM 315 O "O2'" . A B 2 7 ? 8.873 20.647 1.317 1.00 43.61 ? 16 A B "O2'" 1
|
| 1435 |
+
ATOM 316 C "C1'" . A B 2 7 ? 10.361 21.554 2.929 1.00 42.83 ? 16 A B "C1'" 1
|
| 1436 |
+
ATOM 317 N N9 . A B 2 7 ? 11.749 21.416 3.357 1.00 43.12 ? 16 A B N9 1
|
| 1437 |
+
ATOM 318 C C8 . A B 2 7 ? 12.234 21.116 4.605 1.00 41.84 ? 16 A B C8 1
|
| 1438 |
+
ATOM 319 N N7 . A B 2 7 ? 13.537 21.002 4.649 1.00 42.80 ? 16 A B N7 1
|
| 1439 |
+
ATOM 320 C C5 . A B 2 7 ? 13.942 21.263 3.344 1.00 44.42 ? 16 A B C5 1
|
| 1440 |
+
ATOM 321 C C6 . A B 2 7 ? 15.213 21.307 2.728 1.00 46.39 ? 16 A B C6 1
|
| 1441 |
+
ATOM 322 N N6 . A B 2 7 ? 16.359 21.085 3.368 1.00 46.68 ? 16 A B N6 1
|
| 1442 |
+
ATOM 323 N N1 . A B 2 7 ? 15.265 21.600 1.412 1.00 46.29 ? 16 A B N1 1
|
| 1443 |
+
ATOM 324 C C2 . A B 2 7 ? 14.118 21.848 0.769 1.00 46.98 ? 16 A B C2 1
|
| 1444 |
+
ATOM 325 N N3 . A B 2 7 ? 12.868 21.845 1.237 1.00 45.49 ? 16 A B N3 1
|
| 1445 |
+
ATOM 326 C C4 . A B 2 7 ? 12.851 21.534 2.545 1.00 43.89 ? 16 A B C4 1
|
| 1446 |
+
ATOM 327 P P . G B 2 8 ? 8.812 16.912 3.379 1.00 45.40 ? 17 G B P 1
|
| 1447 |
+
ATOM 328 O OP1 . G B 2 8 ? 10.239 16.715 3.740 1.00 45.64 ? 17 G B OP1 1
|
| 1448 |
+
ATOM 329 O OP2 . G B 2 8 ? 8.221 16.154 2.234 1.00 46.50 ? 17 G B OP2 1
|
| 1449 |
+
ATOM 330 O "O5'" . G B 2 8 ? 7.954 16.638 4.685 1.00 42.95 ? 17 G B "O5'" 1
|
| 1450 |
+
ATOM 331 C "C5'" . G B 2 8 ? 6.599 17.041 4.739 1.00 41.93 ? 17 G B "C5'" 1
|
| 1451 |
+
ATOM 332 C "C4'" . G B 2 8 ? 5.717 15.844 4.603 1.00 40.72 ? 17 G B "C4'" 1
|
| 1452 |
+
ATOM 333 O "O4'" . G B 2 8 ? 6.026 14.916 5.665 1.00 41.32 ? 17 G B "O4'" 1
|
| 1453 |
+
ATOM 334 C "C3'" . G B 2 8 ? 4.253 16.094 4.818 1.00 42.64 ? 17 G B "C3'" 1
|
| 1454 |
+
ATOM 335 O "O3'" . G B 2 8 ? 3.706 16.659 3.653 1.00 46.50 ? 17 G B "O3'" 1
|
| 1455 |
+
ATOM 336 C "C2'" . G B 2 8 ? 3.761 14.689 5.085 1.00 41.95 ? 17 G B "C2'" 1
|
| 1456 |
+
ATOM 337 O "O2'" . G B 2 8 ? 3.749 13.900 3.918 1.00 45.44 ? 17 G B "O2'" 1
|
| 1457 |
+
ATOM 338 C "C1'" . G B 2 8 ? 4.877 14.179 5.990 1.00 40.12 ? 17 G B "C1'" 1
|
| 1458 |
+
ATOM 339 N N9 . G B 2 8 ? 4.561 14.428 7.386 1.00 39.05 ? 17 G B N9 1
|
| 1459 |
+
ATOM 340 C C8 . G B 2 8 ? 5.235 15.210 8.298 1.00 35.78 ? 17 G B C8 1
|
| 1460 |
+
ATOM 341 N N7 . G B 2 8 ? 4.664 15.224 9.476 1.00 35.02 ? 17 G B N7 1
|
| 1461 |
+
ATOM 342 C C5 . G B 2 8 ? 3.557 14.394 9.328 1.00 35.09 ? 17 G B C5 1
|
| 1462 |
+
ATOM 343 C C6 . G B 2 8 ? 2.561 14.016 10.261 1.00 35.34 ? 17 G B C6 1
|
| 1463 |
+
ATOM 344 O O6 . G B 2 8 ? 2.473 14.337 11.456 1.00 38.59 ? 17 G B O6 1
|
| 1464 |
+
ATOM 345 N N1 . G B 2 8 ? 1.600 13.180 9.680 1.00 34.21 ? 17 G B N1 1
|
| 1465 |
+
ATOM 346 C C2 . G B 2 8 ? 1.610 12.770 8.352 1.00 37.14 ? 17 G B C2 1
|
| 1466 |
+
ATOM 347 N N2 . G B 2 8 ? 0.591 12.007 7.932 1.00 38.23 ? 17 G B N2 1
|
| 1467 |
+
ATOM 348 N N3 . G B 2 8 ? 2.554 13.098 7.487 1.00 35.41 ? 17 G B N3 1
|
| 1468 |
+
ATOM 349 C C4 . G B 2 8 ? 3.481 13.906 8.039 1.00 36.68 ? 17 G B C4 1
|
| 1469 |
+
ATOM 350 P P . A B 2 9 ? 2.655 17.855 3.792 1.00 45.39 ? 18 A B P 1
|
| 1470 |
+
ATOM 351 O OP1 . A B 2 9 ? 2.539 18.482 2.450 1.00 48.11 ? 18 A B OP1 1
|
| 1471 |
+
ATOM 352 O OP2 . A B 2 9 ? 3.068 18.670 4.962 1.00 50.32 ? 18 A B OP2 1
|
| 1472 |
+
ATOM 353 O "O5'" . A B 2 9 ? 1.297 17.103 4.136 1.00 46.44 ? 18 A B "O5'" 1
|
| 1473 |
+
ATOM 354 C "C5'" . A B 2 9 ? 0.712 16.280 3.145 1.00 47.58 ? 18 A B "C5'" 1
|
| 1474 |
+
ATOM 355 C "C4'" . A B 2 9 ? -0.449 15.514 3.693 1.00 45.91 ? 18 A B "C4'" 1
|
| 1475 |
+
ATOM 356 O "O4'" . A B 2 9 ? 0.004 14.642 4.755 1.00 44.17 ? 18 A B "O4'" 1
|
| 1476 |
+
ATOM 357 C "C3'" . A B 2 9 ? -1.550 16.331 4.332 1.00 47.39 ? 18 A B "C3'" 1
|
| 1477 |
+
ATOM 358 O "O3'" . A B 2 9 ? -2.397 16.929 3.349 1.00 47.80 ? 18 A B "O3'" 1
|
| 1478 |
+
ATOM 359 C "C2'" . A B 2 9 ? -2.249 15.259 5.155 1.00 46.12 ? 18 A B "C2'" 1
|
| 1479 |
+
ATOM 360 O "O2'" . A B 2 9 ? -3.103 14.426 4.391 1.00 49.19 ? 18 A B "O2'" 1
|
| 1480 |
+
ATOM 361 C "C1'" . A B 2 9 ? -1.042 14.474 5.684 1.00 44.36 ? 18 A B "C1'" 1
|
| 1481 |
+
ATOM 362 N N9 . A B 2 9 ? -0.616 15.071 6.935 1.00 42.08 ? 18 A B N9 1
|
| 1482 |
+
ATOM 363 C C8 . A B 2 9 ? 0.428 15.930 7.186 1.00 40.96 ? 18 A B C8 1
|
| 1483 |
+
ATOM 364 N N7 . A B 2 9 ? 0.474 16.349 8.430 1.00 41.26 ? 18 A B N7 1
|
| 1484 |
+
ATOM 365 C C5 . A B 2 9 ? -0.600 15.699 9.037 1.00 41.21 ? 18 A B C5 1
|
| 1485 |
+
ATOM 366 C C6 . A B 2 9 ? -1.110 15.724 10.350 1.00 40.32 ? 18 A B C6 1
|
| 1486 |
+
ATOM 367 N N6 . A B 2 9 ? -0.565 16.440 11.342 1.00 41.18 ? 18 A B N6 1
|
| 1487 |
+
ATOM 368 N N1 . A B 2 9 ? -2.214 14.978 10.610 1.00 39.23 ? 18 A B N1 1
|
| 1488 |
+
ATOM 369 C C2 . A B 2 9 ? -2.752 14.253 9.615 1.00 40.09 ? 18 A B C2 1
|
| 1489 |
+
ATOM 370 N N3 . A B 2 9 ? -2.356 14.140 8.348 1.00 40.55 ? 18 A B N3 1
|
| 1490 |
+
ATOM 371 C C4 . A B 2 9 ? -1.268 14.901 8.125 1.00 40.95 ? 18 A B C4 1
|
| 1491 |
+
ATOM 372 P P . G B 2 10 ? -2.986 18.407 3.595 1.00 47.68 ? 19 G B P 1
|
| 1492 |
+
ATOM 373 O OP1 . G B 2 10 ? -3.439 18.917 2.269 1.00 50.72 ? 19 G B OP1 1
|
| 1493 |
+
ATOM 374 O OP2 . G B 2 10 ? -2.059 19.229 4.423 1.00 49.43 ? 19 G B OP2 1
|
| 1494 |
+
ATOM 375 O "O5'" . G B 2 10 ? -4.257 18.151 4.510 1.00 48.49 ? 19 G B "O5'" 1
|
| 1495 |
+
ATOM 376 C "C5'" . G B 2 10 ? -5.297 17.306 4.068 1.00 46.35 ? 19 G B "C5'" 1
|
| 1496 |
+
ATOM 377 C "C4'" . G B 2 10 ? -6.107 16.867 5.237 1.00 45.43 ? 19 G B "C4'" 1
|
| 1497 |
+
ATOM 378 O "O4'" . G B 2 10 ? -5.241 16.178 6.174 1.00 44.25 ? 19 G B "O4'" 1
|
| 1498 |
+
ATOM 379 C "C3'" . G B 2 10 ? -6.651 17.989 6.100 1.00 46.01 ? 19 G B "C3'" 1
|
| 1499 |
+
ATOM 380 O "O3'" . G B 2 10 ? -7.758 18.712 5.573 1.00 47.39 ? 19 G B "O3'" 1
|
| 1500 |
+
ATOM 381 C "C2'" . G B 2 10 ? -7.007 17.225 7.360 1.00 44.86 ? 19 G B "C2'" 1
|
| 1501 |
+
ATOM 382 O "O2'" . G B 2 10 ? -8.210 16.499 7.204 1.00 46.09 ? 19 G B "O2'" 1
|
| 1502 |
+
ATOM 383 C "C1'" . G B 2 10 ? -5.805 16.282 7.471 1.00 42.66 ? 19 G B "C1'" 1
|
| 1503 |
+
ATOM 384 N N9 . G B 2 10 ? -4.846 16.921 8.355 1.00 41.29 ? 19 G B N9 1
|
| 1504 |
+
ATOM 385 C C8 . G B 2 10 ? -3.757 17.692 8.024 1.00 40.20 ? 19 G B C8 1
|
| 1505 |
+
ATOM 386 N N7 . G B 2 10 ? -3.180 18.231 9.069 1.00 37.03 ? 19 G B N7 1
|
| 1506 |
+
ATOM 387 C C5 . G B 2 10 ? -3.917 17.763 10.143 1.00 38.06 ? 19 G B C5 1
|
| 1507 |
+
ATOM 388 C C6 . G B 2 10 ? -3.779 18.014 11.528 1.00 37.65 ? 19 G B C6 1
|
| 1508 |
+
ATOM 389 O O6 . G B 2 10 ? -2.953 18.739 12.104 1.00 37.86 ? 19 G B O6 1
|
| 1509 |
+
ATOM 390 N N1 . G B 2 10 ? -4.735 17.320 12.267 1.00 37.36 ? 19 G B N1 1
|
| 1510 |
+
ATOM 391 C C2 . G B 2 10 ? -5.694 16.489 11.739 1.00 37.81 ? 19 G B C2 1
|
| 1511 |
+
ATOM 392 N N2 . G B 2 10 ? -6.513 15.905 12.616 1.00 36.81 ? 19 G B N2 1
|
| 1512 |
+
ATOM 393 N N3 . G B 2 10 ? -5.836 16.251 10.445 1.00 36.37 ? 19 G B N3 1
|
| 1513 |
+
ATOM 394 C C4 . G B 2 10 ? -4.925 16.921 9.716 1.00 39.04 ? 19 G B C4 1
|
| 1514 |
+
HETATM 395 O O . HOH C 3 . ? 9.775 10.281 3.757 1.00 56.46 ? 103 HOH A O 1
|
| 1515 |
+
HETATM 396 O O . HOH C 3 . ? 6.554 -1.370 9.045 1.00 66.41 ? 106 HOH A O 1
|
| 1516 |
+
HETATM 397 O O . HOH C 3 . ? 2.565 0.383 4.729 1.00 62.27 ? 113 HOH A O 1
|
| 1517 |
+
HETATM 398 O O . HOH C 3 . ? 4.811 7.979 14.641 1.00 66.07 ? 117 HOH A O 1
|
| 1518 |
+
HETATM 399 O O . HOH C 3 . ? 1.655 2.503 12.372 1.00 51.48 ? 118 HOH A O 1
|
| 1519 |
+
HETATM 400 O O . HOH C 3 . ? 11.670 -0.889 10.353 1.00 64.58 ? 120 HOH A O 1
|
| 1520 |
+
HETATM 401 O O . HOH C 3 . ? 2.524 10.403 15.296 1.00 51.08 ? 121 HOH A O 1
|
| 1521 |
+
HETATM 402 O O . HOH D 3 . ? -0.172 20.280 8.280 1.00 40.28 ? 101 HOH B O 1
|
| 1522 |
+
HETATM 403 O O . HOH D 3 . ? 3.836 6.673 29.203 1.00 56.39 ? 102 HOH B O 1
|
| 1523 |
+
HETATM 404 O O . HOH D 3 . ? 11.631 19.764 18.331 1.00 49.51 ? 104 HOH B O 1
|
| 1524 |
+
HETATM 405 O O . HOH D 3 . ? 11.991 19.525 14.928 1.00 65.49 ? 105 HOH B O 1
|
| 1525 |
+
HETATM 406 O O . HOH D 3 . ? 11.408 21.464 10.216 1.00 54.21 ? 107 HOH B O 1
|
| 1526 |
+
HETATM 407 O O . HOH D 3 . ? 8.803 9.091 16.555 1.00 45.39 ? 108 HOH B O 1
|
| 1527 |
+
HETATM 408 O O . HOH D 3 . ? 8.440 -1.037 17.663 1.00 56.59 ? 109 HOH B O 1
|
| 1528 |
+
HETATM 409 O O . HOH D 3 . ? -0.676 20.361 11.228 1.00 63.65 ? 110 HOH B O 1
|
| 1529 |
+
HETATM 410 O O . HOH D 3 . ? 8.412 12.198 16.494 1.00 32.29 ? 111 HOH B O 1
|
| 1530 |
+
HETATM 411 O O . HOH D 3 . ? 4.496 9.724 28.019 1.00 45.10 ? 112 HOH B O 1
|
| 1531 |
+
HETATM 412 O O . HOH D 3 . ? 13.318 11.435 9.113 1.00 51.48 ? 114 HOH B O 1
|
| 1532 |
+
HETATM 413 O O . HOH D 3 . ? 2.059 18.344 9.483 1.00 60.15 ? 115 HOH B O 1
|
| 1533 |
+
HETATM 414 O O . HOH D 3 . ? 9.630 10.225 18.807 1.00 36.46 ? 116 HOH B O 1
|
| 1534 |
+
HETATM 415 O O . HOH D 3 . ? 0.255 21.615 5.018 1.00 45.47 ? 119 HOH B O 1
|
| 1535 |
+
HETATM 416 O O . HOH D 3 . ? 5.323 16.784 11.648 1.00 54.11 ? 122 HOH B O 1
|
| 1536 |
+
HETATM 417 O O . HOH D 3 . ? 15.374 18.523 13.522 1.00 54.33 ? 123 HOH B O 1
|
| 1537 |
+
#
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