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- structures/1drr.cif +0 -0
- structures/1fg0.cif +0 -0
- structures/1i4b.cif +1324 -0
- structures/1k6h.cif +0 -0
- structures/1n36.cif +0 -0
- structures/1urn.cif +0 -0
- structures/1yg4.cif +0 -0
- structures/1ykv.cif +0 -0
- structures/2cd5.cif +0 -0
- structures/2db3.cif +0 -0
- structures/2eev.cif +0 -0
- structures/2hua.cif +0 -0
- structures/2jlv.cif +0 -0
- structures/2l8h.cif +0 -0
- structures/2lbl.cif +0 -0
- structures/2nby.cif +0 -0
- structures/2nug.cif +0 -0
- structures/2y95.cif +0 -0
- structures/2zh4.cif +0 -0
- structures/2zhb.cif +0 -0
- structures/2zi0.cif +0 -0
- structures/387d.cif +1691 -0
- structures/3bsu.cif +0 -0
- structures/3dj0.cif +0 -0
- structures/3fs0.cif +1727 -0
- structures/3j2e.cif +0 -0
- structures/3j3v.cif +0 -0
- structures/3mum.cif +0 -0
- structures/3vyy.cif +0 -0
- structures/4hkq.cif +0 -0
- structures/4nfp.cif +0 -0
- structures/4pco.cif +0 -0
- structures/4qil.cif +0 -0
- structures/4x4r.cif +0 -0
- structures/4z4g.cif +0 -0
- structures/5b63.cif +0 -0
- structures/5btp.cif +0 -0
- structures/5da6.cif +0 -0
- structures/5ef2.cif +0 -0
- structures/5ip2.cif +0 -0
- structures/5k36.cif +0 -0
- structures/5m0j.cif +0 -0
- structures/5nwq.cif +0 -0
- structures/5wws.cif +0 -0
- structures/5y88.cif +0 -0
- structures/6g4s.cif +0 -0
- structures/6gml.cif +0 -0
- structures/6kle.cif +0 -0
- structures/6kup.cif +0 -0
- structures/6mxq.cif +0 -0
structures/1drr.cif
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structures/1fg0.cif
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structures/1i4b.cif
ADDED
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|
| 1 |
+
data_1I4B
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1I4B
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.392
|
| 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 1I4B pdb_00001i4b 10.2210/pdb1i4b/pdb
|
| 15 |
+
RCSB RCSB012886 ? ?
|
| 16 |
+
WWPDB D_1000012886 ? ?
|
| 17 |
+
#
|
| 18 |
+
loop_
|
| 19 |
+
_pdbx_audit_revision_history.ordinal
|
| 20 |
+
_pdbx_audit_revision_history.data_content_type
|
| 21 |
+
_pdbx_audit_revision_history.major_revision
|
| 22 |
+
_pdbx_audit_revision_history.minor_revision
|
| 23 |
+
_pdbx_audit_revision_history.revision_date
|
| 24 |
+
1 'Structure model' 1 0 2001-04-21
|
| 25 |
+
2 'Structure model' 1 1 2008-04-27
|
| 26 |
+
3 'Structure model' 1 2 2011-07-13
|
| 27 |
+
4 'Structure model' 1 3 2022-02-23
|
| 28 |
+
5 'Structure model' 1 4 2024-05-22
|
| 29 |
+
#
|
| 30 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 32 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 33 |
+
_pdbx_audit_revision_details.provider repository
|
| 34 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 35 |
+
_pdbx_audit_revision_details.description ?
|
| 36 |
+
_pdbx_audit_revision_details.details ?
|
| 37 |
+
#
|
| 38 |
+
loop_
|
| 39 |
+
_pdbx_audit_revision_group.ordinal
|
| 40 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 41 |
+
_pdbx_audit_revision_group.data_content_type
|
| 42 |
+
_pdbx_audit_revision_group.group
|
| 43 |
+
1 2 'Structure model' 'Version format compliance'
|
| 44 |
+
2 3 'Structure model' 'Version format compliance'
|
| 45 |
+
3 4 'Structure model' 'Data collection'
|
| 46 |
+
4 4 'Structure model' 'Database references'
|
| 47 |
+
5 4 'Structure model' 'Derived calculations'
|
| 48 |
+
6 5 'Structure model' 'Data collection'
|
| 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' database_2
|
| 56 |
+
2 4 'Structure model' pdbx_nmr_software
|
| 57 |
+
3 4 'Structure model' pdbx_nmr_spectrometer
|
| 58 |
+
4 4 'Structure model' pdbx_struct_assembly
|
| 59 |
+
5 4 'Structure model' pdbx_struct_oper_list
|
| 60 |
+
6 5 'Structure model' chem_comp_atom
|
| 61 |
+
7 5 'Structure model' chem_comp_bond
|
| 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 4 'Structure model' '_database_2.pdbx_DOI'
|
| 69 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 70 |
+
3 4 'Structure model' '_pdbx_nmr_software.name'
|
| 71 |
+
4 4 'Structure model' '_pdbx_nmr_spectrometer.model'
|
| 72 |
+
#
|
| 73 |
+
_database_PDB_caveat.id 1
|
| 74 |
+
_database_PDB_caveat.text 'incorrect carbon chiral center(s)'
|
| 75 |
+
#
|
| 76 |
+
_pdbx_database_status.status_code REL
|
| 77 |
+
_pdbx_database_status.entry_id 1I4B
|
| 78 |
+
_pdbx_database_status.recvd_initial_deposition_date 2001-02-20
|
| 79 |
+
_pdbx_database_status.deposit_site RCSB
|
| 80 |
+
_pdbx_database_status.process_site RCSB
|
| 81 |
+
_pdbx_database_status.status_code_mr REL
|
| 82 |
+
_pdbx_database_status.status_code_sf ?
|
| 83 |
+
_pdbx_database_status.SG_entry N
|
| 84 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 85 |
+
_pdbx_database_status.status_code_cs ?
|
| 86 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 87 |
+
_pdbx_database_status.methods_development_category ?
|
| 88 |
+
#
|
| 89 |
+
loop_
|
| 90 |
+
_pdbx_database_related.db_name
|
| 91 |
+
_pdbx_database_related.db_id
|
| 92 |
+
_pdbx_database_related.details
|
| 93 |
+
_pdbx_database_related.content_type
|
| 94 |
+
PDB 1ESH
|
| 95 |
+
;The solution structure of the Stem Loop C 5'AUA3' triloop of Brome Mosaic Virus (+) strand RNA
|
| 96 |
+
;
|
| 97 |
+
unspecified
|
| 98 |
+
PDB 1I46
|
| 99 |
+
;The solution structure of the mutant stem loop C 5'GUA3' triloop of Brome Mosaic Virus (+) strand RNA
|
| 100 |
+
;
|
| 101 |
+
unspecified
|
| 102 |
+
#
|
| 103 |
+
loop_
|
| 104 |
+
_audit_author.name
|
| 105 |
+
_audit_author.pdbx_ordinal
|
| 106 |
+
'Tinoco Jr., I.' 1
|
| 107 |
+
'Kim, C.-H.' 2
|
| 108 |
+
#
|
| 109 |
+
loop_
|
| 110 |
+
_citation.id
|
| 111 |
+
_citation.title
|
| 112 |
+
_citation.journal_abbrev
|
| 113 |
+
_citation.journal_volume
|
| 114 |
+
_citation.page_first
|
| 115 |
+
_citation.page_last
|
| 116 |
+
_citation.year
|
| 117 |
+
_citation.journal_id_ASTM
|
| 118 |
+
_citation.country
|
| 119 |
+
_citation.journal_id_ISSN
|
| 120 |
+
_citation.journal_id_CSD
|
| 121 |
+
_citation.book_publisher
|
| 122 |
+
_citation.pdbx_database_id_PubMed
|
| 123 |
+
_citation.pdbx_database_id_DOI
|
| 124 |
+
primary
|
| 125 |
+
'Structural and thermodynamic studies on mutant RNA motifs that impair the specificity between a viral replicase and its promoter'
|
| 126 |
+
J.Mol.Biol. 307 827 839 2001 JMOBAK UK 0022-2836 0070 ? 11273704 10.1006/jmbi.2001.4497
|
| 127 |
+
1 'RNA motifs that determine specificity between a viral Replicase and its promoter' Nat.Struct.Biol. 7 415 423 2000
|
| 128 |
+
NSBIEW US 1072-8368 2024 ? ? 10.1038/75202
|
| 129 |
+
#
|
| 130 |
+
loop_
|
| 131 |
+
_citation_author.citation_id
|
| 132 |
+
_citation_author.name
|
| 133 |
+
_citation_author.ordinal
|
| 134 |
+
_citation_author.identifier_ORCID
|
| 135 |
+
primary 'Kim, C.-H.' 1 ?
|
| 136 |
+
primary 'Tinoco Jr., I.' 2 ?
|
| 137 |
+
1 'Kao, C.C.' 3 ?
|
| 138 |
+
#
|
| 139 |
+
_entity.id 1
|
| 140 |
+
_entity.type polymer
|
| 141 |
+
_entity.src_method syn
|
| 142 |
+
_entity.pdbx_description "5'-R(*GP*GP*UP*GP*CP*UP*UP*AP*GP*CP*AP*CP*C)-3'"
|
| 143 |
+
_entity.formula_weight 4133.501
|
| 144 |
+
_entity.pdbx_number_of_molecules 1
|
| 145 |
+
_entity.pdbx_ec ?
|
| 146 |
+
_entity.pdbx_mutation ?
|
| 147 |
+
_entity.pdbx_fragment ?
|
| 148 |
+
_entity.details
|
| 149 |
+
;THE MAJOR STRUCTURAL FAMILY OF 5'UUA3' MUTANT TRILOOP
|
| 150 |
+
;
|
| 151 |
+
#
|
| 152 |
+
_entity_poly.entity_id 1
|
| 153 |
+
_entity_poly.type polyribonucleotide
|
| 154 |
+
_entity_poly.nstd_linkage no
|
| 155 |
+
_entity_poly.nstd_monomer no
|
| 156 |
+
_entity_poly.pdbx_seq_one_letter_code GGUGCUUAGCACC
|
| 157 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGUGCUUAGCACC
|
| 158 |
+
_entity_poly.pdbx_strand_id A
|
| 159 |
+
_entity_poly.pdbx_target_identifier ?
|
| 160 |
+
#
|
| 161 |
+
loop_
|
| 162 |
+
_entity_poly_seq.entity_id
|
| 163 |
+
_entity_poly_seq.num
|
| 164 |
+
_entity_poly_seq.mon_id
|
| 165 |
+
_entity_poly_seq.hetero
|
| 166 |
+
1 1 G n
|
| 167 |
+
1 2 G n
|
| 168 |
+
1 3 U n
|
| 169 |
+
1 4 G n
|
| 170 |
+
1 5 C n
|
| 171 |
+
1 6 U n
|
| 172 |
+
1 7 U n
|
| 173 |
+
1 8 A n
|
| 174 |
+
1 9 G n
|
| 175 |
+
1 10 C n
|
| 176 |
+
1 11 A n
|
| 177 |
+
1 12 C n
|
| 178 |
+
1 13 C n
|
| 179 |
+
#
|
| 180 |
+
_pdbx_entity_src_syn.entity_id 1
|
| 181 |
+
_pdbx_entity_src_syn.pdbx_src_id 1
|
| 182 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag sample
|
| 183 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num ?
|
| 184 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num ?
|
| 185 |
+
_pdbx_entity_src_syn.organism_scientific ?
|
| 186 |
+
_pdbx_entity_src_syn.organism_common_name ?
|
| 187 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id ?
|
| 188 |
+
_pdbx_entity_src_syn.details
|
| 189 |
+
'This sequence is a mutant triloop of which wild type sequence is naturally occured in BMV (+) strand RNA'
|
| 190 |
+
#
|
| 191 |
+
loop_
|
| 192 |
+
_chem_comp.id
|
| 193 |
+
_chem_comp.type
|
| 194 |
+
_chem_comp.mon_nstd_flag
|
| 195 |
+
_chem_comp.name
|
| 196 |
+
_chem_comp.pdbx_synonyms
|
| 197 |
+
_chem_comp.formula
|
| 198 |
+
_chem_comp.formula_weight
|
| 199 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 200 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 201 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 202 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 203 |
+
#
|
| 204 |
+
loop_
|
| 205 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 206 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 207 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 208 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 209 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 210 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 211 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 212 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 213 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 214 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 215 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 216 |
+
_pdbx_poly_seq_scheme.hetero
|
| 217 |
+
A 1 1 G 1 1 1 G G A . n
|
| 218 |
+
A 1 2 G 2 2 2 G G A . n
|
| 219 |
+
A 1 3 U 3 3 3 U U A . n
|
| 220 |
+
A 1 4 G 4 4 4 G G A . n
|
| 221 |
+
A 1 5 C 5 5 5 C C A . n
|
| 222 |
+
A 1 6 U 6 6 6 U U A . n
|
| 223 |
+
A 1 7 U 7 7 7 U U A . n
|
| 224 |
+
A 1 8 A 8 8 8 A A A . n
|
| 225 |
+
A 1 9 G 9 9 9 G G A . n
|
| 226 |
+
A 1 10 C 10 10 10 C C A . n
|
| 227 |
+
A 1 11 A 11 11 11 A A A . n
|
| 228 |
+
A 1 12 C 12 12 12 C C A . n
|
| 229 |
+
A 1 13 C 13 13 13 C C A . n
|
| 230 |
+
#
|
| 231 |
+
_cell.entry_id 1I4B
|
| 232 |
+
_cell.length_a 1.000
|
| 233 |
+
_cell.length_b 1.000
|
| 234 |
+
_cell.length_c 1.000
|
| 235 |
+
_cell.angle_alpha 90.00
|
| 236 |
+
_cell.angle_beta 90.00
|
| 237 |
+
_cell.angle_gamma 90.00
|
| 238 |
+
_cell.Z_PDB 1
|
| 239 |
+
_cell.pdbx_unique_axis ?
|
| 240 |
+
#
|
| 241 |
+
_symmetry.entry_id 1I4B
|
| 242 |
+
_symmetry.space_group_name_H-M 'P 1'
|
| 243 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 244 |
+
_symmetry.cell_setting ?
|
| 245 |
+
_symmetry.Int_Tables_number 1
|
| 246 |
+
#
|
| 247 |
+
_exptl.entry_id 1I4B
|
| 248 |
+
_exptl.method 'SOLUTION NMR'
|
| 249 |
+
_exptl.crystals_number ?
|
| 250 |
+
#
|
| 251 |
+
_database_PDB_matrix.entry_id 1I4B
|
| 252 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 253 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 254 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 255 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 256 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 257 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 258 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 259 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 260 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 261 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 262 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 263 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 264 |
+
#
|
| 265 |
+
_struct.entry_id 1I4B
|
| 266 |
+
_struct.title
|
| 267 |
+
;The solution structure of the major family of the mutant stem loop C 5'UUA3' triloop of brome mosaic virus (+) strand RNA
|
| 268 |
+
;
|
| 269 |
+
_struct.pdbx_model_details ?
|
| 270 |
+
_struct.pdbx_CASP_flag ?
|
| 271 |
+
_struct.pdbx_model_type_details 'minimized average'
|
| 272 |
+
#
|
| 273 |
+
_struct_keywords.entry_id 1I4B
|
| 274 |
+
_struct_keywords.pdbx_keywords RNA
|
| 275 |
+
_struct_keywords.text 'RNA, Triloop, Stem-Loop, Mutant, Replication, BMV'
|
| 276 |
+
#
|
| 277 |
+
_struct_asym.id A
|
| 278 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 279 |
+
_struct_asym.pdbx_modified N
|
| 280 |
+
_struct_asym.entity_id 1
|
| 281 |
+
_struct_asym.details ?
|
| 282 |
+
#
|
| 283 |
+
_struct_ref.id 1
|
| 284 |
+
_struct_ref.entity_id 1
|
| 285 |
+
_struct_ref.db_name PDB
|
| 286 |
+
_struct_ref.db_code 1I4B
|
| 287 |
+
_struct_ref.pdbx_db_accession 1I4B
|
| 288 |
+
_struct_ref.pdbx_db_isoform ?
|
| 289 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 290 |
+
_struct_ref.pdbx_align_begin ?
|
| 291 |
+
#
|
| 292 |
+
_struct_ref_seq.align_id 1
|
| 293 |
+
_struct_ref_seq.ref_id 1
|
| 294 |
+
_struct_ref_seq.pdbx_PDB_id_code 1I4B
|
| 295 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 296 |
+
_struct_ref_seq.seq_align_beg 1
|
| 297 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 298 |
+
_struct_ref_seq.seq_align_end 13
|
| 299 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 300 |
+
_struct_ref_seq.pdbx_db_accession 1I4B
|
| 301 |
+
_struct_ref_seq.db_align_beg 1
|
| 302 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 303 |
+
_struct_ref_seq.db_align_end 13
|
| 304 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 305 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 306 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 13
|
| 307 |
+
#
|
| 308 |
+
_pdbx_struct_assembly.id 1
|
| 309 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 310 |
+
_pdbx_struct_assembly.method_details ?
|
| 311 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 312 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 313 |
+
#
|
| 314 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 315 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 316 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 317 |
+
#
|
| 318 |
+
_pdbx_struct_oper_list.id 1
|
| 319 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 320 |
+
_pdbx_struct_oper_list.name 1_555
|
| 321 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 322 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 323 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 324 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 325 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 326 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 327 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 328 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 329 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 330 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 331 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 332 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 333 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 334 |
+
#
|
| 335 |
+
_struct_biol.id 1
|
| 336 |
+
#
|
| 337 |
+
loop_
|
| 338 |
+
_struct_conn.id
|
| 339 |
+
_struct_conn.conn_type_id
|
| 340 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 341 |
+
_struct_conn.pdbx_PDB_id
|
| 342 |
+
_struct_conn.ptnr1_label_asym_id
|
| 343 |
+
_struct_conn.ptnr1_label_comp_id
|
| 344 |
+
_struct_conn.ptnr1_label_seq_id
|
| 345 |
+
_struct_conn.ptnr1_label_atom_id
|
| 346 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 347 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 348 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 349 |
+
_struct_conn.ptnr1_symmetry
|
| 350 |
+
_struct_conn.ptnr2_label_asym_id
|
| 351 |
+
_struct_conn.ptnr2_label_comp_id
|
| 352 |
+
_struct_conn.ptnr2_label_seq_id
|
| 353 |
+
_struct_conn.ptnr2_label_atom_id
|
| 354 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 355 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 356 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 357 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 358 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 359 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 360 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 361 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 362 |
+
_struct_conn.ptnr2_symmetry
|
| 363 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 364 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 365 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 366 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 367 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 368 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 369 |
+
_struct_conn.details
|
| 370 |
+
_struct_conn.pdbx_dist_value
|
| 371 |
+
_struct_conn.pdbx_value_order
|
| 372 |
+
_struct_conn.pdbx_role
|
| 373 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 374 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 375 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 376 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 377 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 378 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 379 |
+
hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 380 |
+
hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 381 |
+
hydrog9 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 10 N3 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 382 |
+
hydrog10 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 10 O2 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 383 |
+
hydrog11 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 10 N4 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 384 |
+
hydrog12 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 385 |
+
hydrog13 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 386 |
+
hydrog14 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 387 |
+
#
|
| 388 |
+
_struct_conn_type.id hydrog
|
| 389 |
+
_struct_conn_type.criteria ?
|
| 390 |
+
_struct_conn_type.reference ?
|
| 391 |
+
#
|
| 392 |
+
_pdbx_validate_close_contact.id 1
|
| 393 |
+
_pdbx_validate_close_contact.PDB_model_num 1
|
| 394 |
+
_pdbx_validate_close_contact.auth_atom_id_1 "HO2'"
|
| 395 |
+
_pdbx_validate_close_contact.auth_asym_id_1 A
|
| 396 |
+
_pdbx_validate_close_contact.auth_comp_id_1 A
|
| 397 |
+
_pdbx_validate_close_contact.auth_seq_id_1 11
|
| 398 |
+
_pdbx_validate_close_contact.PDB_ins_code_1 ?
|
| 399 |
+
_pdbx_validate_close_contact.label_alt_id_1 ?
|
| 400 |
+
_pdbx_validate_close_contact.auth_atom_id_2 "O4'"
|
| 401 |
+
_pdbx_validate_close_contact.auth_asym_id_2 A
|
| 402 |
+
_pdbx_validate_close_contact.auth_comp_id_2 C
|
| 403 |
+
_pdbx_validate_close_contact.auth_seq_id_2 12
|
| 404 |
+
_pdbx_validate_close_contact.PDB_ins_code_2 ?
|
| 405 |
+
_pdbx_validate_close_contact.label_alt_id_2 ?
|
| 406 |
+
_pdbx_validate_close_contact.dist 1.44
|
| 407 |
+
#
|
| 408 |
+
_pdbx_nmr_ensemble.entry_id 1I4B
|
| 409 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number ?
|
| 410 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 411 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria ?
|
| 412 |
+
#
|
| 413 |
+
_pdbx_nmr_representative.entry_id 1I4B
|
| 414 |
+
_pdbx_nmr_representative.conformer_id 1
|
| 415 |
+
_pdbx_nmr_representative.selection_criteria 'minimized average structure'
|
| 416 |
+
#
|
| 417 |
+
_pdbx_nmr_sample_details.solution_id 1
|
| 418 |
+
_pdbx_nmr_sample_details.contents
|
| 419 |
+
;2mM 5'UUA3' triloop, unlabeled, 5mM Sodium Phosphate buffer, pH 6.5
|
| 420 |
+
;
|
| 421 |
+
_pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O'
|
| 422 |
+
#
|
| 423 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 424 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 283
|
| 425 |
+
_pdbx_nmr_exptl_sample_conditions.pressure ambient
|
| 426 |
+
_pdbx_nmr_exptl_sample_conditions.pH 6.5
|
| 427 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength '5mM NaCl'
|
| 428 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units ?
|
| 429 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 430 |
+
#
|
| 431 |
+
loop_
|
| 432 |
+
_pdbx_nmr_exptl.experiment_id
|
| 433 |
+
_pdbx_nmr_exptl.solution_id
|
| 434 |
+
_pdbx_nmr_exptl.conditions_id
|
| 435 |
+
_pdbx_nmr_exptl.type
|
| 436 |
+
1 1 1 '2D NOESY'
|
| 437 |
+
2 1 1 DQF-COSY
|
| 438 |
+
#
|
| 439 |
+
_pdbx_nmr_refine.entry_id 1I4B
|
| 440 |
+
_pdbx_nmr_refine.method 'simulated annealing'
|
| 441 |
+
_pdbx_nmr_refine.details ?
|
| 442 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 443 |
+
#
|
| 444 |
+
loop_
|
| 445 |
+
_pdbx_nmr_software.name
|
| 446 |
+
_pdbx_nmr_software.version
|
| 447 |
+
_pdbx_nmr_software.classification
|
| 448 |
+
_pdbx_nmr_software.authors
|
| 449 |
+
_pdbx_nmr_software.ordinal
|
| 450 |
+
Felix 95 'data analysis' ? 1
|
| 451 |
+
X-PLOR 3.1 'structure solution' 'Bruger, A.' 2
|
| 452 |
+
X-PLOR 3.1 refinement 'Bruger, A.' 3
|
| 453 |
+
#
|
| 454 |
+
loop_
|
| 455 |
+
_chem_comp_atom.comp_id
|
| 456 |
+
_chem_comp_atom.atom_id
|
| 457 |
+
_chem_comp_atom.type_symbol
|
| 458 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 459 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 460 |
+
_chem_comp_atom.pdbx_ordinal
|
| 461 |
+
A OP3 O N N 1
|
| 462 |
+
A P P N N 2
|
| 463 |
+
A OP1 O N N 3
|
| 464 |
+
A OP2 O N N 4
|
| 465 |
+
A "O5'" O N N 5
|
| 466 |
+
A "C5'" C N N 6
|
| 467 |
+
A "C4'" C N R 7
|
| 468 |
+
A "O4'" O N N 8
|
| 469 |
+
A "C3'" C N S 9
|
| 470 |
+
A "O3'" O N N 10
|
| 471 |
+
A "C2'" C N R 11
|
| 472 |
+
A "O2'" O N N 12
|
| 473 |
+
A "C1'" C N R 13
|
| 474 |
+
A N9 N Y N 14
|
| 475 |
+
A C8 C Y N 15
|
| 476 |
+
A N7 N Y N 16
|
| 477 |
+
A C5 C Y N 17
|
| 478 |
+
A C6 C Y N 18
|
| 479 |
+
A N6 N N N 19
|
| 480 |
+
A N1 N Y N 20
|
| 481 |
+
A C2 C Y N 21
|
| 482 |
+
A N3 N Y N 22
|
| 483 |
+
A C4 C Y N 23
|
| 484 |
+
A HOP3 H N N 24
|
| 485 |
+
A HOP2 H N N 25
|
| 486 |
+
A "H5'" H N N 26
|
| 487 |
+
A "H5''" H N N 27
|
| 488 |
+
A "H4'" H N N 28
|
| 489 |
+
A "H3'" H N N 29
|
| 490 |
+
A "HO3'" H N N 30
|
| 491 |
+
A "H2'" H N N 31
|
| 492 |
+
A "HO2'" H N N 32
|
| 493 |
+
A "H1'" H N N 33
|
| 494 |
+
A H8 H N N 34
|
| 495 |
+
A H61 H N N 35
|
| 496 |
+
A H62 H N N 36
|
| 497 |
+
A H2 H N N 37
|
| 498 |
+
C OP3 O N N 38
|
| 499 |
+
C P P N N 39
|
| 500 |
+
C OP1 O N N 40
|
| 501 |
+
C OP2 O N N 41
|
| 502 |
+
C "O5'" O N N 42
|
| 503 |
+
C "C5'" C N N 43
|
| 504 |
+
C "C4'" C N R 44
|
| 505 |
+
C "O4'" O N N 45
|
| 506 |
+
C "C3'" C N S 46
|
| 507 |
+
C "O3'" O N N 47
|
| 508 |
+
C "C2'" C N R 48
|
| 509 |
+
C "O2'" O N N 49
|
| 510 |
+
C "C1'" C N R 50
|
| 511 |
+
C N1 N N N 51
|
| 512 |
+
C C2 C N N 52
|
| 513 |
+
C O2 O N N 53
|
| 514 |
+
C N3 N N N 54
|
| 515 |
+
C C4 C N N 55
|
| 516 |
+
C N4 N N N 56
|
| 517 |
+
C C5 C N N 57
|
| 518 |
+
C C6 C N N 58
|
| 519 |
+
C HOP3 H N N 59
|
| 520 |
+
C HOP2 H N N 60
|
| 521 |
+
C "H5'" H N N 61
|
| 522 |
+
C "H5''" H N N 62
|
| 523 |
+
C "H4'" H N N 63
|
| 524 |
+
C "H3'" H N N 64
|
| 525 |
+
C "HO3'" H N N 65
|
| 526 |
+
C "H2'" H N N 66
|
| 527 |
+
C "HO2'" H N N 67
|
| 528 |
+
C "H1'" H N N 68
|
| 529 |
+
C H41 H N N 69
|
| 530 |
+
C H42 H N N 70
|
| 531 |
+
C H5 H N N 71
|
| 532 |
+
C H6 H N N 72
|
| 533 |
+
G OP3 O N N 73
|
| 534 |
+
G P P N N 74
|
| 535 |
+
G OP1 O N N 75
|
| 536 |
+
G OP2 O N N 76
|
| 537 |
+
G "O5'" O N N 77
|
| 538 |
+
G "C5'" C N N 78
|
| 539 |
+
G "C4'" C N R 79
|
| 540 |
+
G "O4'" O N N 80
|
| 541 |
+
G "C3'" C N S 81
|
| 542 |
+
G "O3'" O N N 82
|
| 543 |
+
G "C2'" C N R 83
|
| 544 |
+
G "O2'" O N N 84
|
| 545 |
+
G "C1'" C N R 85
|
| 546 |
+
G N9 N Y N 86
|
| 547 |
+
G C8 C Y N 87
|
| 548 |
+
G N7 N Y N 88
|
| 549 |
+
G C5 C Y N 89
|
| 550 |
+
G C6 C N N 90
|
| 551 |
+
G O6 O N N 91
|
| 552 |
+
G N1 N N N 92
|
| 553 |
+
G C2 C N N 93
|
| 554 |
+
G N2 N N N 94
|
| 555 |
+
G N3 N N N 95
|
| 556 |
+
G C4 C Y N 96
|
| 557 |
+
G HOP3 H N N 97
|
| 558 |
+
G HOP2 H N N 98
|
| 559 |
+
G "H5'" H N N 99
|
| 560 |
+
G "H5''" H N N 100
|
| 561 |
+
G "H4'" H N N 101
|
| 562 |
+
G "H3'" H N N 102
|
| 563 |
+
G "HO3'" H N N 103
|
| 564 |
+
G "H2'" H N N 104
|
| 565 |
+
G "HO2'" H N N 105
|
| 566 |
+
G "H1'" H N N 106
|
| 567 |
+
G H8 H N N 107
|
| 568 |
+
G H1 H N N 108
|
| 569 |
+
G H21 H N N 109
|
| 570 |
+
G H22 H N N 110
|
| 571 |
+
U OP3 O N N 111
|
| 572 |
+
U P P N N 112
|
| 573 |
+
U OP1 O N N 113
|
| 574 |
+
U OP2 O N N 114
|
| 575 |
+
U "O5'" O N N 115
|
| 576 |
+
U "C5'" C N N 116
|
| 577 |
+
U "C4'" C N R 117
|
| 578 |
+
U "O4'" O N N 118
|
| 579 |
+
U "C3'" C N S 119
|
| 580 |
+
U "O3'" O N N 120
|
| 581 |
+
U "C2'" C N R 121
|
| 582 |
+
U "O2'" O N N 122
|
| 583 |
+
U "C1'" C N R 123
|
| 584 |
+
U N1 N N N 124
|
| 585 |
+
U C2 C N N 125
|
| 586 |
+
U O2 O N N 126
|
| 587 |
+
U N3 N N N 127
|
| 588 |
+
U C4 C N N 128
|
| 589 |
+
U O4 O N N 129
|
| 590 |
+
U C5 C N N 130
|
| 591 |
+
U C6 C N N 131
|
| 592 |
+
U HOP3 H N N 132
|
| 593 |
+
U HOP2 H N N 133
|
| 594 |
+
U "H5'" H N N 134
|
| 595 |
+
U "H5''" H N N 135
|
| 596 |
+
U "H4'" H N N 136
|
| 597 |
+
U "H3'" H N N 137
|
| 598 |
+
U "HO3'" H N N 138
|
| 599 |
+
U "H2'" H N N 139
|
| 600 |
+
U "HO2'" H N N 140
|
| 601 |
+
U "H1'" H N N 141
|
| 602 |
+
U H3 H N N 142
|
| 603 |
+
U H5 H N N 143
|
| 604 |
+
U H6 H N N 144
|
| 605 |
+
#
|
| 606 |
+
loop_
|
| 607 |
+
_chem_comp_bond.comp_id
|
| 608 |
+
_chem_comp_bond.atom_id_1
|
| 609 |
+
_chem_comp_bond.atom_id_2
|
| 610 |
+
_chem_comp_bond.value_order
|
| 611 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 612 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 613 |
+
_chem_comp_bond.pdbx_ordinal
|
| 614 |
+
A OP3 P sing N N 1
|
| 615 |
+
A OP3 HOP3 sing N N 2
|
| 616 |
+
A P OP1 doub N N 3
|
| 617 |
+
A P OP2 sing N N 4
|
| 618 |
+
A P "O5'" sing N N 5
|
| 619 |
+
A OP2 HOP2 sing N N 6
|
| 620 |
+
A "O5'" "C5'" sing N N 7
|
| 621 |
+
A "C5'" "C4'" sing N N 8
|
| 622 |
+
A "C5'" "H5'" sing N N 9
|
| 623 |
+
A "C5'" "H5''" sing N N 10
|
| 624 |
+
A "C4'" "O4'" sing N N 11
|
| 625 |
+
A "C4'" "C3'" sing N N 12
|
| 626 |
+
A "C4'" "H4'" sing N N 13
|
| 627 |
+
A "O4'" "C1'" sing N N 14
|
| 628 |
+
A "C3'" "O3'" sing N N 15
|
| 629 |
+
A "C3'" "C2'" sing N N 16
|
| 630 |
+
A "C3'" "H3'" sing N N 17
|
| 631 |
+
A "O3'" "HO3'" sing N N 18
|
| 632 |
+
A "C2'" "O2'" sing N N 19
|
| 633 |
+
A "C2'" "C1'" sing N N 20
|
| 634 |
+
A "C2'" "H2'" sing N N 21
|
| 635 |
+
A "O2'" "HO2'" sing N N 22
|
| 636 |
+
A "C1'" N9 sing N N 23
|
| 637 |
+
A "C1'" "H1'" sing N N 24
|
| 638 |
+
A N9 C8 sing Y N 25
|
| 639 |
+
A N9 C4 sing Y N 26
|
| 640 |
+
A C8 N7 doub Y N 27
|
| 641 |
+
A C8 H8 sing N N 28
|
| 642 |
+
A N7 C5 sing Y N 29
|
| 643 |
+
A C5 C6 sing Y N 30
|
| 644 |
+
A C5 C4 doub Y N 31
|
| 645 |
+
A C6 N6 sing N N 32
|
| 646 |
+
A C6 N1 doub Y N 33
|
| 647 |
+
A N6 H61 sing N N 34
|
| 648 |
+
A N6 H62 sing N N 35
|
| 649 |
+
A N1 C2 sing Y N 36
|
| 650 |
+
A C2 N3 doub Y N 37
|
| 651 |
+
A C2 H2 sing N N 38
|
| 652 |
+
A N3 C4 sing Y N 39
|
| 653 |
+
C OP3 P sing N N 40
|
| 654 |
+
C OP3 HOP3 sing N N 41
|
| 655 |
+
C P OP1 doub N N 42
|
| 656 |
+
C P OP2 sing N N 43
|
| 657 |
+
C P "O5'" sing N N 44
|
| 658 |
+
C OP2 HOP2 sing N N 45
|
| 659 |
+
C "O5'" "C5'" sing N N 46
|
| 660 |
+
C "C5'" "C4'" sing N N 47
|
| 661 |
+
C "C5'" "H5'" sing N N 48
|
| 662 |
+
C "C5'" "H5''" sing N N 49
|
| 663 |
+
C "C4'" "O4'" sing N N 50
|
| 664 |
+
C "C4'" "C3'" sing N N 51
|
| 665 |
+
C "C4'" "H4'" sing N N 52
|
| 666 |
+
C "O4'" "C1'" sing N N 53
|
| 667 |
+
C "C3'" "O3'" sing N N 54
|
| 668 |
+
C "C3'" "C2'" sing N N 55
|
| 669 |
+
C "C3'" "H3'" sing N N 56
|
| 670 |
+
C "O3'" "HO3'" sing N N 57
|
| 671 |
+
C "C2'" "O2'" sing N N 58
|
| 672 |
+
C "C2'" "C1'" sing N N 59
|
| 673 |
+
C "C2'" "H2'" sing N N 60
|
| 674 |
+
C "O2'" "HO2'" sing N N 61
|
| 675 |
+
C "C1'" N1 sing N N 62
|
| 676 |
+
C "C1'" "H1'" sing N N 63
|
| 677 |
+
C N1 C2 sing N N 64
|
| 678 |
+
C N1 C6 sing N N 65
|
| 679 |
+
C C2 O2 doub N N 66
|
| 680 |
+
C C2 N3 sing N N 67
|
| 681 |
+
C N3 C4 doub N N 68
|
| 682 |
+
C C4 N4 sing N N 69
|
| 683 |
+
C C4 C5 sing N N 70
|
| 684 |
+
C N4 H41 sing N N 71
|
| 685 |
+
C N4 H42 sing N N 72
|
| 686 |
+
C C5 C6 doub N N 73
|
| 687 |
+
C C5 H5 sing N N 74
|
| 688 |
+
C C6 H6 sing N N 75
|
| 689 |
+
G OP3 P sing N N 76
|
| 690 |
+
G OP3 HOP3 sing N N 77
|
| 691 |
+
G P OP1 doub N N 78
|
| 692 |
+
G P OP2 sing N N 79
|
| 693 |
+
G P "O5'" sing N N 80
|
| 694 |
+
G OP2 HOP2 sing N N 81
|
| 695 |
+
G "O5'" "C5'" sing N N 82
|
| 696 |
+
G "C5'" "C4'" sing N N 83
|
| 697 |
+
G "C5'" "H5'" sing N N 84
|
| 698 |
+
G "C5'" "H5''" sing N N 85
|
| 699 |
+
G "C4'" "O4'" sing N N 86
|
| 700 |
+
G "C4'" "C3'" sing N N 87
|
| 701 |
+
G "C4'" "H4'" sing N N 88
|
| 702 |
+
G "O4'" "C1'" sing N N 89
|
| 703 |
+
G "C3'" "O3'" sing N N 90
|
| 704 |
+
G "C3'" "C2'" sing N N 91
|
| 705 |
+
G "C3'" "H3'" sing N N 92
|
| 706 |
+
G "O3'" "HO3'" sing N N 93
|
| 707 |
+
G "C2'" "O2'" sing N N 94
|
| 708 |
+
G "C2'" "C1'" sing N N 95
|
| 709 |
+
G "C2'" "H2'" sing N N 96
|
| 710 |
+
G "O2'" "HO2'" sing N N 97
|
| 711 |
+
G "C1'" N9 sing N N 98
|
| 712 |
+
G "C1'" "H1'" sing N N 99
|
| 713 |
+
G N9 C8 sing Y N 100
|
| 714 |
+
G N9 C4 sing Y N 101
|
| 715 |
+
G C8 N7 doub Y N 102
|
| 716 |
+
G C8 H8 sing N N 103
|
| 717 |
+
G N7 C5 sing Y N 104
|
| 718 |
+
G C5 C6 sing N N 105
|
| 719 |
+
G C5 C4 doub Y N 106
|
| 720 |
+
G C6 O6 doub N N 107
|
| 721 |
+
G C6 N1 sing N N 108
|
| 722 |
+
G N1 C2 sing N N 109
|
| 723 |
+
G N1 H1 sing N N 110
|
| 724 |
+
G C2 N2 sing N N 111
|
| 725 |
+
G C2 N3 doub N N 112
|
| 726 |
+
G N2 H21 sing N N 113
|
| 727 |
+
G N2 H22 sing N N 114
|
| 728 |
+
G N3 C4 sing N N 115
|
| 729 |
+
U OP3 P sing N N 116
|
| 730 |
+
U OP3 HOP3 sing N N 117
|
| 731 |
+
U P OP1 doub N N 118
|
| 732 |
+
U P OP2 sing N N 119
|
| 733 |
+
U P "O5'" sing N N 120
|
| 734 |
+
U OP2 HOP2 sing N N 121
|
| 735 |
+
U "O5'" "C5'" sing N N 122
|
| 736 |
+
U "C5'" "C4'" sing N N 123
|
| 737 |
+
U "C5'" "H5'" sing N N 124
|
| 738 |
+
U "C5'" "H5''" sing N N 125
|
| 739 |
+
U "C4'" "O4'" sing N N 126
|
| 740 |
+
U "C4'" "C3'" sing N N 127
|
| 741 |
+
U "C4'" "H4'" sing N N 128
|
| 742 |
+
U "O4'" "C1'" sing N N 129
|
| 743 |
+
U "C3'" "O3'" sing N N 130
|
| 744 |
+
U "C3'" "C2'" sing N N 131
|
| 745 |
+
U "C3'" "H3'" sing N N 132
|
| 746 |
+
U "O3'" "HO3'" sing N N 133
|
| 747 |
+
U "C2'" "O2'" sing N N 134
|
| 748 |
+
U "C2'" "C1'" sing N N 135
|
| 749 |
+
U "C2'" "H2'" sing N N 136
|
| 750 |
+
U "O2'" "HO2'" sing N N 137
|
| 751 |
+
U "C1'" N1 sing N N 138
|
| 752 |
+
U "C1'" "H1'" sing N N 139
|
| 753 |
+
U N1 C2 sing N N 140
|
| 754 |
+
U N1 C6 sing N N 141
|
| 755 |
+
U C2 O2 doub N N 142
|
| 756 |
+
U C2 N3 sing N N 143
|
| 757 |
+
U N3 C4 sing N N 144
|
| 758 |
+
U N3 H3 sing N N 145
|
| 759 |
+
U C4 O4 doub N N 146
|
| 760 |
+
U C4 C5 sing N N 147
|
| 761 |
+
U C5 C6 doub N N 148
|
| 762 |
+
U C5 H5 sing N N 149
|
| 763 |
+
U C6 H6 sing N N 150
|
| 764 |
+
#
|
| 765 |
+
loop_
|
| 766 |
+
_ndb_struct_conf_na.entry_id
|
| 767 |
+
_ndb_struct_conf_na.feature
|
| 768 |
+
1I4B 'double helix'
|
| 769 |
+
1I4B 'hairpin loop'
|
| 770 |
+
#
|
| 771 |
+
loop_
|
| 772 |
+
_ndb_struct_na_base_pair.model_number
|
| 773 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 774 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 775 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 776 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 777 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 778 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 779 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 780 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 781 |
+
_ndb_struct_na_base_pair.shear
|
| 782 |
+
_ndb_struct_na_base_pair.stretch
|
| 783 |
+
_ndb_struct_na_base_pair.stagger
|
| 784 |
+
_ndb_struct_na_base_pair.buckle
|
| 785 |
+
_ndb_struct_na_base_pair.propeller
|
| 786 |
+
_ndb_struct_na_base_pair.opening
|
| 787 |
+
_ndb_struct_na_base_pair.pair_number
|
| 788 |
+
_ndb_struct_na_base_pair.pair_name
|
| 789 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 790 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 791 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 792 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 793 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 794 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 795 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 796 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 797 |
+
1 A G 1 1_555 A C 13 1_555 -0.209 -0.238 -0.619 -20.151 -6.450 -4.573 1 A_G1:C13_A A 1 ? A 13 ? 19 1
|
| 798 |
+
1 A G 2 1_555 A C 12 1_555 -0.124 -0.246 -0.274 -10.183 -26.185 -3.532 2 A_G2:C12_A A 2 ? A 12 ? 19 1
|
| 799 |
+
1 A U 3 1_555 A A 11 1_555 -0.305 -0.238 -0.789 9.243 -26.895 -1.804 3 A_U3:A11_A A 3 ? A 11 ? 20 1
|
| 800 |
+
1 A G 4 1_555 A C 10 1_555 -0.164 -0.286 -0.373 -3.058 -26.068 0.036 4 A_G4:C10_A A 4 ? A 10 ? 19 1
|
| 801 |
+
1 A C 5 1_555 A G 9 1_555 0.359 -0.427 -0.721 -8.165 -5.941 4.442 5 A_C5:G9_A A 5 ? A 9 ? 19 1
|
| 802 |
+
#
|
| 803 |
+
loop_
|
| 804 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 805 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 806 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 807 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 808 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 809 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 810 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 811 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 812 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 813 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 814 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 815 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 816 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 817 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 818 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 819 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 820 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 821 |
+
_ndb_struct_na_base_pair_step.shift
|
| 822 |
+
_ndb_struct_na_base_pair_step.slide
|
| 823 |
+
_ndb_struct_na_base_pair_step.rise
|
| 824 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 825 |
+
_ndb_struct_na_base_pair_step.roll
|
| 826 |
+
_ndb_struct_na_base_pair_step.twist
|
| 827 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 828 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 829 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 830 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 831 |
+
_ndb_struct_na_base_pair_step.tip
|
| 832 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 833 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 834 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 835 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 836 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 837 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 838 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 839 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 840 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 841 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 842 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 843 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 844 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 845 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 846 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 847 |
+
1 A G 1 1_555 A C 13 1_555 A G 2 1_555 A C 12 1_555 -1.342 -0.991 3.102 -0.216 -1.048 34.575 -1.513 2.225 3.138 -1.763 0.364
|
| 848 |
+
34.591 1 AA_G1G2:C12C13_AA A 1 ? A 13 ? A 2 ? A 12 ?
|
| 849 |
+
1 A G 2 1_555 A C 12 1_555 A U 3 1_555 A A 11 1_555 0.186 -0.443 2.893 2.743 -1.233 29.636 -0.633 0.148 2.913 -2.403 -5.345
|
| 850 |
+
29.784 2 AA_G2U3:A11C12_AA A 2 ? A 12 ? A 3 ? A 11 ?
|
| 851 |
+
1 A U 3 1_555 A A 11 1_555 A G 4 1_555 A C 10 1_555 -0.322 -1.200 3.374 -3.299 30.926 30.222 -4.395 0.144 1.578 46.604 4.971
|
| 852 |
+
43.105 3 AA_U3G4:C10A11_AA A 3 ? A 11 ? A 4 ? A 10 ?
|
| 853 |
+
1 A G 4 1_555 A C 10 1_555 A C 5 1_555 A G 9 1_555 1.735 -0.141 2.857 7.994 9.725 37.034 -1.295 -1.705 3.024 14.796 -12.162
|
| 854 |
+
39.044 4 AA_G4C5:G9C10_AA A 4 ? A 10 ? A 5 ? A 9 ?
|
| 855 |
+
#
|
| 856 |
+
loop_
|
| 857 |
+
_pdbx_nmr_spectrometer.spectrometer_id
|
| 858 |
+
_pdbx_nmr_spectrometer.type
|
| 859 |
+
_pdbx_nmr_spectrometer.manufacturer
|
| 860 |
+
_pdbx_nmr_spectrometer.model
|
| 861 |
+
_pdbx_nmr_spectrometer.field_strength
|
| 862 |
+
1 ? Bruker AVANCE 500
|
| 863 |
+
2 ? Bruker AMX 600
|
| 864 |
+
#
|
| 865 |
+
_atom_sites.entry_id 1I4B
|
| 866 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 867 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 868 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 869 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 870 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 871 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 872 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 873 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 874 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 875 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 876 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 877 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 878 |
+
#
|
| 879 |
+
loop_
|
| 880 |
+
_atom_type.symbol
|
| 881 |
+
C
|
| 882 |
+
H
|
| 883 |
+
N
|
| 884 |
+
O
|
| 885 |
+
P
|
| 886 |
+
#
|
| 887 |
+
loop_
|
| 888 |
+
_atom_site.group_PDB
|
| 889 |
+
_atom_site.id
|
| 890 |
+
_atom_site.type_symbol
|
| 891 |
+
_atom_site.label_atom_id
|
| 892 |
+
_atom_site.label_alt_id
|
| 893 |
+
_atom_site.label_comp_id
|
| 894 |
+
_atom_site.label_asym_id
|
| 895 |
+
_atom_site.label_entity_id
|
| 896 |
+
_atom_site.label_seq_id
|
| 897 |
+
_atom_site.pdbx_PDB_ins_code
|
| 898 |
+
_atom_site.Cartn_x
|
| 899 |
+
_atom_site.Cartn_y
|
| 900 |
+
_atom_site.Cartn_z
|
| 901 |
+
_atom_site.occupancy
|
| 902 |
+
_atom_site.B_iso_or_equiv
|
| 903 |
+
_atom_site.pdbx_formal_charge
|
| 904 |
+
_atom_site.auth_seq_id
|
| 905 |
+
_atom_site.auth_comp_id
|
| 906 |
+
_atom_site.auth_asym_id
|
| 907 |
+
_atom_site.auth_atom_id
|
| 908 |
+
_atom_site.pdbx_PDB_model_num
|
| 909 |
+
ATOM 1 O "O5'" . G A 1 1 ? -8.367 -10.035 -0.161 1.00 2.22 ? 1 G A "O5'" 1
|
| 910 |
+
ATOM 2 C "C5'" . G A 1 1 ? -8.314 -11.018 0.877 1.00 2.25 ? 1 G A "C5'" 1
|
| 911 |
+
ATOM 3 C "C4'" . G A 1 1 ? -6.889 -11.225 1.380 1.00 2.07 ? 1 G A "C4'" 1
|
| 912 |
+
ATOM 4 O "O4'" . G A 1 1 ? -6.077 -11.700 0.311 1.00 2.02 ? 1 G A "O4'" 1
|
| 913 |
+
ATOM 5 C "C3'" . G A 1 1 ? -6.181 -9.963 1.831 1.00 1.88 ? 1 G A "C3'" 1
|
| 914 |
+
ATOM 6 O "O3'" . G A 1 1 ? -6.413 -9.823 3.235 1.00 1.70 ? 1 G A "O3'" 1
|
| 915 |
+
ATOM 7 C "C2'" . G A 1 1 ? -4.704 -10.298 1.658 1.00 1.88 ? 1 G A "C2'" 1
|
| 916 |
+
ATOM 8 O "O2'" . G A 1 1 ? -4.181 -10.877 2.856 1.00 2.05 ? 1 G A "O2'" 1
|
| 917 |
+
ATOM 9 C "C1'" . G A 1 1 ? -4.708 -11.329 0.524 1.00 1.89 ? 1 G A "C1'" 1
|
| 918 |
+
ATOM 10 N N9 . G A 1 1 ? -4.170 -10.768 -0.728 1.00 1.76 ? 1 G A N9 1
|
| 919 |
+
ATOM 11 C C8 . G A 1 1 ? -4.832 -10.487 -1.894 1.00 1.82 ? 1 G A C8 1
|
| 920 |
+
ATOM 12 N N7 . G A 1 1 ? -4.069 -9.980 -2.821 1.00 1.69 ? 1 G A N7 1
|
| 921 |
+
ATOM 13 C C5 . G A 1 1 ? -2.813 -9.920 -2.227 1.00 1.53 ? 1 G A C5 1
|
| 922 |
+
ATOM 14 C C6 . G A 1 1 ? -1.576 -9.455 -2.752 1.00 1.38 ? 1 G A C6 1
|
| 923 |
+
ATOM 15 O O6 . G A 1 1 ? -1.347 -8.994 -3.868 1.00 1.37 ? 1 G A O6 1
|
| 924 |
+
ATOM 16 N N1 . G A 1 1 ? -0.552 -9.568 -1.824 1.00 1.30 ? 1 G A N1 1
|
| 925 |
+
ATOM 17 C C2 . G A 1 1 ? -0.694 -10.066 -0.549 1.00 1.33 ? 1 G A C2 1
|
| 926 |
+
ATOM 18 N N2 . G A 1 1 ? 0.400 -10.103 0.211 1.00 1.26 ? 1 G A N2 1
|
| 927 |
+
ATOM 19 N N3 . G A 1 1 ? -1.850 -10.506 -0.047 1.00 1.46 ? 1 G A N3 1
|
| 928 |
+
ATOM 20 C C4 . G A 1 1 ? -2.863 -10.402 -0.942 1.00 1.56 ? 1 G A C4 1
|
| 929 |
+
ATOM 21 H "H5'" . G A 1 1 ? -8.695 -11.963 0.491 1.00 2.39 ? 1 G A "H5'" 1
|
| 930 |
+
ATOM 22 H "H5''" . G A 1 1 ? -8.941 -10.693 1.707 1.00 2.31 ? 1 G A "H5''" 1
|
| 931 |
+
ATOM 23 H "H4'" . G A 1 1 ? -6.899 -11.968 2.178 1.00 2.15 ? 1 G A "H4'" 1
|
| 932 |
+
ATOM 24 H "H3'" . G A 1 1 ? -6.490 -9.075 1.280 1.00 1.99 ? 1 G A "H3'" 1
|
| 933 |
+
ATOM 25 H "H2'" . G A 1 1 ? -4.138 -9.413 1.370 1.00 1.90 ? 1 G A "H2'" 1
|
| 934 |
+
ATOM 26 H "HO2'" . G A 1 1 ? -3.554 -10.251 3.225 1.00 1.94 ? 1 G A "HO2'" 1
|
| 935 |
+
ATOM 27 H "H1'" . G A 1 1 ? -4.132 -12.214 0.800 1.00 1.99 ? 1 G A "H1'" 1
|
| 936 |
+
ATOM 28 H H8 . G A 1 1 ? -5.897 -10.668 -2.031 1.00 1.99 ? 1 G A H8 1
|
| 937 |
+
ATOM 29 H H1 . G A 1 1 ? 0.365 -9.259 -2.113 1.00 1.24 ? 1 G A H1 1
|
| 938 |
+
ATOM 30 H H21 . G A 1 1 ? 1.282 -9.781 -0.159 1.00 1.22 ? 1 G A H21 1
|
| 939 |
+
ATOM 31 H H22 . G A 1 1 ? 0.346 -10.453 1.156 1.00 1.29 ? 1 G A H22 1
|
| 940 |
+
ATOM 32 H "HO5'" . G A 1 1 ? -7.493 -9.987 -0.554 1.00 2.36 ? 1 G A "HO5'" 1
|
| 941 |
+
ATOM 33 P P . G A 1 2 ? -5.929 -8.499 4.014 1.00 1.58 ? 2 G A P 1
|
| 942 |
+
ATOM 34 O OP1 . G A 1 2 ? -6.502 -8.529 5.379 1.00 1.60 ? 2 G A OP1 1
|
| 943 |
+
ATOM 35 O OP2 . G A 1 2 ? -6.173 -7.331 3.138 1.00 1.74 ? 2 G A OP2 1
|
| 944 |
+
ATOM 36 O "O5'" . G A 1 2 ? -4.337 -8.717 4.132 1.00 1.38 ? 2 G A "O5'" 1
|
| 945 |
+
ATOM 37 C "C5'" . G A 1 2 ? -3.777 -9.372 5.273 1.00 1.34 ? 2 G A "C5'" 1
|
| 946 |
+
ATOM 38 C "C4'" . G A 1 2 ? -2.274 -9.126 5.388 1.00 1.21 ? 2 G A "C4'" 1
|
| 947 |
+
ATOM 39 O "O4'" . G A 1 2 ? -1.635 -9.515 4.166 1.00 1.20 ? 2 G A "O4'" 1
|
| 948 |
+
ATOM 40 C "C3'" . G A 1 2 ? -1.873 -7.672 5.566 1.00 1.11 ? 2 G A "C3'" 1
|
| 949 |
+
ATOM 41 O "O3'" . G A 1 2 ? -1.782 -7.419 6.970 1.00 1.12 ? 2 G A "O3'" 1
|
| 950 |
+
ATOM 42 C "C2'" . G A 1 2 ? -0.458 -7.644 5.017 1.00 1.03 ? 2 G A "C2'" 1
|
| 951 |
+
ATOM 43 O "O2'" . G A 1 2 ? 0.469 -8.128 5.992 1.00 1.04 ? 2 G A "O2'" 1
|
| 952 |
+
ATOM 44 C "C1'" . G A 1 2 ? -0.559 -8.616 3.844 1.00 1.08 ? 2 G A "C1'" 1
|
| 953 |
+
ATOM 45 N N9 . G A 1 2 ? -0.876 -7.929 2.577 1.00 1.05 ? 2 G A N9 1
|
| 954 |
+
ATOM 46 C C8 . G A 1 2 ? -2.103 -7.568 2.083 1.00 1.12 ? 2 G A C8 1
|
| 955 |
+
ATOM 47 N N7 . G A 1 2 ? -2.046 -6.963 0.929 1.00 1.07 ? 2 G A N7 1
|
| 956 |
+
ATOM 48 C C5 . G A 1 2 ? -0.686 -6.920 0.638 1.00 0.96 ? 2 G A C5 1
|
| 957 |
+
ATOM 49 C C6 . G A 1 2 ? -0.011 -6.378 -0.490 1.00 0.90 ? 2 G A C6 1
|
| 958 |
+
ATOM 50 O O6 . G A 1 2 ? -0.495 -5.822 -1.473 1.00 0.90 ? 2 G A O6 1
|
| 959 |
+
ATOM 51 N N1 . G A 1 2 ? 1.362 -6.542 -0.391 1.00 0.86 ? 2 G A N1 1
|
| 960 |
+
ATOM 52 C C2 . G A 1 2 ? 2.011 -7.150 0.660 1.00 0.87 ? 2 G A C2 1
|
| 961 |
+
ATOM 53 N N2 . G A 1 2 ? 3.341 -7.221 0.591 1.00 0.88 ? 2 G A N2 1
|
| 962 |
+
ATOM 54 N N3 . G A 1 2 ? 1.387 -7.662 1.723 1.00 0.91 ? 2 G A N3 1
|
| 963 |
+
ATOM 55 C C4 . G A 1 2 ? 0.042 -7.511 1.643 1.00 0.96 ? 2 G A C4 1
|
| 964 |
+
ATOM 56 H "H5'" . G A 1 2 ? -3.955 -10.444 5.189 1.00 1.41 ? 2 G A "H5'" 1
|
| 965 |
+
ATOM 57 H "H5''" . G A 1 2 ? -4.267 -9.000 6.173 1.00 1.36 ? 2 G A "H5''" 1
|
| 966 |
+
ATOM 58 H "H4'" . G A 1 2 ? -1.880 -9.734 6.203 1.00 1.23 ? 2 G A "H4'" 1
|
| 967 |
+
ATOM 59 H "H3'" . G A 1 2 ? -2.545 -6.973 5.069 1.00 1.12 ? 2 G A "H3'" 1
|
| 968 |
+
ATOM 60 H "H2'" . G A 1 2 ? -0.189 -6.646 4.677 1.00 0.97 ? 2 G A "H2'" 1
|
| 969 |
+
ATOM 61 H "HO2'" . G A 1 2 ? 1.160 -7.467 6.083 1.00 1.02 ? 2 G A "HO2'" 1
|
| 970 |
+
ATOM 62 H "H1'" . G A 1 2 ? 0.364 -9.182 3.727 1.00 1.09 ? 2 G A "H1'" 1
|
| 971 |
+
ATOM 63 H H8 . G A 1 2 ? -3.037 -7.762 2.608 1.00 1.22 ? 2 G A H8 1
|
| 972 |
+
ATOM 64 H H1 . G A 1 2 ? 1.923 -6.187 -1.153 1.00 0.84 ? 2 G A H1 1
|
| 973 |
+
ATOM 65 H H21 . G A 1 2 ? 3.834 -6.765 -0.163 1.00 0.88 ? 2 G A H21 1
|
| 974 |
+
ATOM 66 H H22 . G A 1 2 ? 3.856 -7.727 1.297 1.00 0.90 ? 2 G A H22 1
|
| 975 |
+
ATOM 67 P P . U A 1 3 ? -1.753 -5.906 7.523 1.00 1.09 ? 3 U A P 1
|
| 976 |
+
ATOM 68 O OP1 . U A 1 3 ? -1.600 -5.955 8.994 1.00 1.18 ? 3 U A OP1 1
|
| 977 |
+
ATOM 69 O OP2 . U A 1 3 ? -2.891 -5.173 6.925 1.00 1.12 ? 3 U A OP2 1
|
| 978 |
+
ATOM 70 O "O5'" . U A 1 3 ? -0.389 -5.322 6.893 1.00 0.94 ? 3 U A "O5'" 1
|
| 979 |
+
ATOM 71 C "C5'" . U A 1 3 ? 0.795 -5.232 7.691 1.00 0.93 ? 3 U A "C5'" 1
|
| 980 |
+
ATOM 72 C "C4'" . U A 1 3 ? 2.043 -5.007 6.834 1.00 0.84 ? 3 U A "C4'" 1
|
| 981 |
+
ATOM 73 O "O4'" . U A 1 3 ? 1.870 -5.629 5.557 1.00 0.79 ? 3 U A "O4'" 1
|
| 982 |
+
ATOM 74 C "C3'" . U A 1 3 ? 2.330 -3.562 6.477 1.00 0.79 ? 3 U A "C3'" 1
|
| 983 |
+
ATOM 75 O "O3'" . U A 1 3 ? 3.125 -3.008 7.528 1.00 0.86 ? 3 U A "O3'" 1
|
| 984 |
+
ATOM 76 C "C2'" . U A 1 3 ? 3.225 -3.706 5.258 1.00 0.72 ? 3 U A "C2'" 1
|
| 985 |
+
ATOM 77 O "O2'" . U A 1 3 ? 4.561 -4.032 5.649 1.00 0.75 ? 3 U A "O2'" 1
|
| 986 |
+
ATOM 78 C "C1'" . U A 1 3 ? 2.571 -4.888 4.538 1.00 0.71 ? 3 U A "C1'" 1
|
| 987 |
+
ATOM 79 N N1 . U A 1 3 ? 1.593 -4.443 3.518 1.00 0.67 ? 3 U A N1 1
|
| 988 |
+
ATOM 80 C C2 . U A 1 3 ? 2.038 -4.288 2.213 1.00 0.62 ? 3 U A C2 1
|
| 989 |
+
ATOM 81 O O2 . U A 1 3 ? 3.199 -4.516 1.881 1.00 0.63 ? 3 U A O2 1
|
| 990 |
+
ATOM 82 N N3 . U A 1 3 ? 1.095 -3.860 1.299 1.00 0.59 ? 3 U A N3 1
|
| 991 |
+
ATOM 83 C C4 . U A 1 3 ? -0.231 -3.577 1.568 1.00 0.63 ? 3 U A C4 1
|
| 992 |
+
ATOM 84 O O4 . U A 1 3 ? -0.975 -3.202 0.665 1.00 0.62 ? 3 U A O4 1
|
| 993 |
+
ATOM 85 C C5 . U A 1 3 ? -0.618 -3.762 2.948 1.00 0.72 ? 3 U A C5 1
|
| 994 |
+
ATOM 86 C C6 . U A 1 3 ? 0.292 -4.183 3.861 1.00 0.73 ? 3 U A C6 1
|
| 995 |
+
ATOM 87 H "H5'" . U A 1 3 ? 0.910 -6.157 8.258 1.00 0.97 ? 3 U A "H5'" 1
|
| 996 |
+
ATOM 88 H "H5''" . U A 1 3 ? 0.690 -4.400 8.387 1.00 0.98 ? 3 U A "H5''" 1
|
| 997 |
+
ATOM 89 H "H4'" . U A 1 3 ? 2.905 -5.454 7.332 1.00 0.86 ? 3 U A "H4'" 1
|
| 998 |
+
ATOM 90 H "H3'" . U A 1 3 ? 1.432 -2.974 6.290 1.00 0.80 ? 3 U A "H3'" 1
|
| 999 |
+
ATOM 91 H "H2'" . U A 1 3 ? 3.199 -2.808 4.642 1.00 0.68 ? 3 U A "H2'" 1
|
| 1000 |
+
ATOM 92 H "HO2'" . U A 1 3 ? 4.823 -3.401 6.324 1.00 0.98 ? 3 U A "HO2'" 1
|
| 1001 |
+
ATOM 93 H "H1'" . U A 1 3 ? 3.325 -5.533 4.081 1.00 0.71 ? 3 U A "H1'" 1
|
| 1002 |
+
ATOM 94 H H3 . U A 1 3 ? 1.404 -3.742 0.344 1.00 0.57 ? 3 U A H3 1
|
| 1003 |
+
ATOM 95 H H5 . U A 1 3 ? -1.644 -3.561 3.256 1.00 0.80 ? 3 U A H5 1
|
| 1004 |
+
ATOM 96 H H6 . U A 1 3 ? -0.019 -4.319 4.897 1.00 0.81 ? 3 U A H6 1
|
| 1005 |
+
ATOM 97 P P . G A 1 4 ? 2.902 -1.483 7.997 1.00 0.93 ? 4 G A P 1
|
| 1006 |
+
ATOM 98 O OP1 . G A 1 4 ? 3.771 -1.226 9.167 1.00 1.06 ? 4 G A OP1 1
|
| 1007 |
+
ATOM 99 O OP2 . G A 1 4 ? 1.446 -1.236 8.092 1.00 0.94 ? 4 G A OP2 1
|
| 1008 |
+
ATOM 100 O "O5'" . G A 1 4 ? 3.476 -0.643 6.748 1.00 0.85 ? 4 G A "O5'" 1
|
| 1009 |
+
ATOM 101 C "C5'" . G A 1 4 ? 4.860 -0.288 6.695 1.00 0.88 ? 4 G A "C5'" 1
|
| 1010 |
+
ATOM 102 C "C4'" . G A 1 4 ? 5.222 0.393 5.379 1.00 0.79 ? 4 G A "C4'" 1
|
| 1011 |
+
ATOM 103 O "O4'" . G A 1 4 ? 4.789 -0.413 4.285 1.00 0.70 ? 4 G A "O4'" 1
|
| 1012 |
+
ATOM 104 C "C3'" . G A 1 4 ? 4.537 1.721 5.129 1.00 0.76 ? 4 G A "C3'" 1
|
| 1013 |
+
ATOM 105 O "O3'" . G A 1 4 ? 5.365 2.739 5.695 1.00 0.89 ? 4 G A "O3'" 1
|
| 1014 |
+
ATOM 106 C "C2'" . G A 1 4 ? 4.619 1.863 3.616 1.00 0.67 ? 4 G A "C2'" 1
|
| 1015 |
+
ATOM 107 O "O2'" . G A 1 4 ? 5.882 2.413 3.229 1.00 0.76 ? 4 G A "O2'" 1
|
| 1016 |
+
ATOM 108 C "C1'" . G A 1 4 ? 4.501 0.411 3.142 1.00 0.64 ? 4 G A "C1'" 1
|
| 1017 |
+
ATOM 109 N N9 . G A 1 4 ? 3.149 0.095 2.646 1.00 0.57 ? 4 G A N9 1
|
| 1018 |
+
ATOM 110 C C8 . G A 1 4 ? 2.091 -0.455 3.324 1.00 0.57 ? 4 G A C8 1
|
| 1019 |
+
ATOM 111 N N7 . G A 1 4 ? 1.022 -0.605 2.593 1.00 0.53 ? 4 G A N7 1
|
| 1020 |
+
ATOM 112 C C5 . G A 1 4 ? 1.397 -0.119 1.345 1.00 0.48 ? 4 G A C5 1
|
| 1021 |
+
ATOM 113 C C6 . G A 1 4 ? 0.648 -0.023 0.139 1.00 0.45 ? 4 G A C6 1
|
| 1022 |
+
ATOM 114 O O6 . G A 1 4 ? -0.518 -0.354 -0.062 1.00 0.45 ? 4 G A O6 1
|
| 1023 |
+
ATOM 115 N N1 . G A 1 4 ? 1.399 0.526 -0.887 1.00 0.46 ? 4 G A N1 1
|
| 1024 |
+
ATOM 116 C C2 . G A 1 4 ? 2.709 0.935 -0.776 1.00 0.51 ? 4 G A C2 1
|
| 1025 |
+
ATOM 117 N N2 . G A 1 4 ? 3.280 1.445 -1.868 1.00 0.55 ? 4 G A N2 1
|
| 1026 |
+
ATOM 118 N N3 . G A 1 4 ? 3.422 0.849 0.350 1.00 0.54 ? 4 G A N3 1
|
| 1027 |
+
ATOM 119 C C4 . G A 1 4 ? 2.701 0.313 1.366 1.00 0.52 ? 4 G A C4 1
|
| 1028 |
+
ATOM 120 H "H5'" . G A 1 4 ? 5.462 -1.190 6.805 1.00 0.90 ? 4 G A "H5'" 1
|
| 1029 |
+
ATOM 121 H "H5''" . G A 1 4 ? 5.084 0.391 7.518 1.00 0.98 ? 4 G A "H5''" 1
|
| 1030 |
+
ATOM 122 H "H4'" . G A 1 4 ? 6.305 0.507 5.328 1.00 0.86 ? 4 G A "H4'" 1
|
| 1031 |
+
ATOM 123 H "H3'" . G A 1 4 ? 3.518 1.762 5.514 1.00 0.75 ? 4 G A "H3'" 1
|
| 1032 |
+
ATOM 124 H "H2'" . G A 1 4 ? 3.795 2.466 3.235 1.00 0.60 ? 4 G A "H2'" 1
|
| 1033 |
+
ATOM 125 H "HO2'" . G A 1 4 ? 6.432 2.445 4.015 1.00 1.02 ? 4 G A "HO2'" 1
|
| 1034 |
+
ATOM 126 H "H1'" . G A 1 4 ? 5.228 0.200 2.357 1.00 0.67 ? 4 G A "H1'" 1
|
| 1035 |
+
ATOM 127 H H8 . G A 1 4 ? 2.139 -0.738 4.375 1.00 0.63 ? 4 G A H8 1
|
| 1036 |
+
ATOM 128 H H1 . G A 1 4 ? 0.943 0.635 -1.781 1.00 0.45 ? 4 G A H1 1
|
| 1037 |
+
ATOM 129 H H21 . G A 1 4 ? 2.732 1.589 -2.704 1.00 0.55 ? 4 G A H21 1
|
| 1038 |
+
ATOM 130 H H22 . G A 1 4 ? 4.259 1.690 -1.858 1.00 0.61 ? 4 G A H22 1
|
| 1039 |
+
ATOM 131 P P . C A 1 5 ? 4.708 3.967 6.504 1.00 0.92 ? 5 C A P 1
|
| 1040 |
+
ATOM 132 O OP1 . C A 1 5 ? 5.800 4.746 7.129 1.00 1.12 ? 5 C A OP1 1
|
| 1041 |
+
ATOM 133 O OP2 . C A 1 5 ? 3.609 3.435 7.340 1.00 1.02 ? 5 C A OP2 1
|
| 1042 |
+
ATOM 134 O "O5'" . C A 1 5 ? 4.062 4.858 5.327 1.00 0.68 ? 5 C A "O5'" 1
|
| 1043 |
+
ATOM 135 C "C5'" . C A 1 5 ? 4.865 5.327 4.238 1.00 0.63 ? 5 C A "C5'" 1
|
| 1044 |
+
ATOM 136 C "C4'" . C A 1 5 ? 4.082 5.332 2.928 1.00 0.48 ? 5 C A "C4'" 1
|
| 1045 |
+
ATOM 137 O "O4'" . C A 1 5 ? 3.346 4.120 2.828 1.00 0.42 ? 5 C A "O4'" 1
|
| 1046 |
+
ATOM 138 C "C3'" . C A 1 5 ? 3.015 6.429 2.817 1.00 0.43 ? 5 C A "C3'" 1
|
| 1047 |
+
ATOM 139 O "O3'" . C A 1 5 ? 3.491 7.432 1.893 1.00 0.56 ? 5 C A "O3'" 1
|
| 1048 |
+
ATOM 140 C "C2'" . C A 1 5 ? 1.785 5.743 2.190 1.00 0.40 ? 5 C A "C2'" 1
|
| 1049 |
+
ATOM 141 O "O2'" . C A 1 5 ? 1.419 6.374 0.963 1.00 0.49 ? 5 C A "O2'" 1
|
| 1050 |
+
ATOM 142 C "C1'" . C A 1 5 ? 2.263 4.316 1.930 1.00 0.38 ? 5 C A "C1'" 1
|
| 1051 |
+
ATOM 143 N N1 . C A 1 5 ? 1.212 3.314 2.214 1.00 0.35 ? 5 C A N1 1
|
| 1052 |
+
ATOM 144 C C2 . C A 1 5 ? 0.364 2.959 1.174 1.00 0.34 ? 5 C A C2 1
|
| 1053 |
+
ATOM 145 O O2 . C A 1 5 ? 0.517 3.453 0.060 1.00 0.39 ? 5 C A O2 1
|
| 1054 |
+
ATOM 146 N N3 . C A 1 5 ? -0.624 2.057 1.414 1.00 0.33 ? 5 C A N3 1
|
| 1055 |
+
ATOM 147 C C4 . C A 1 5 ? -0.777 1.517 2.629 1.00 0.37 ? 5 C A C4 1
|
| 1056 |
+
ATOM 148 N N4 . C A 1 5 ? -1.764 0.637 2.794 1.00 0.41 ? 5 C A N4 1
|
| 1057 |
+
ATOM 149 C C5 . C A 1 5 ? 0.093 1.874 3.708 1.00 0.42 ? 5 C A C5 1
|
| 1058 |
+
ATOM 150 C C6 . C A 1 5 ? 1.069 2.771 3.458 1.00 0.40 ? 5 C A C6 1
|
| 1059 |
+
ATOM 151 H "H5'" . C A 1 5 ? 5.736 4.679 4.130 1.00 0.72 ? 5 C A "H5'" 1
|
| 1060 |
+
ATOM 152 H "H5''" . C A 1 5 ? 5.201 6.341 4.456 1.00 0.74 ? 5 C A "H5''" 1
|
| 1061 |
+
ATOM 153 H "H4'" . C A 1 5 ? 4.787 5.386 2.100 1.00 0.61 ? 5 C A "H4'" 1
|
| 1062 |
+
ATOM 154 H "H3'" . C A 1 5 ? 2.784 6.880 3.784 1.00 0.48 ? 5 C A "H3'" 1
|
| 1063 |
+
ATOM 155 H "H2'" . C A 1 5 ? 0.948 5.743 2.888 1.00 0.41 ? 5 C A "H2'" 1
|
| 1064 |
+
ATOM 156 H "HO2'" . C A 1 5 ? 0.683 6.962 1.152 1.00 0.71 ? 5 C A "HO2'" 1
|
| 1065 |
+
ATOM 157 H "H1'" . C A 1 5 ? 2.620 4.205 0.904 1.00 0.44 ? 5 C A "H1'" 1
|
| 1066 |
+
ATOM 158 H H41 . C A 1 5 ? -2.342 0.373 2.007 1.00 0.40 ? 5 C A H41 1
|
| 1067 |
+
ATOM 159 H H42 . C A 1 5 ? -1.935 0.234 3.705 1.00 0.48 ? 5 C A H42 1
|
| 1068 |
+
ATOM 160 H H5 . C A 1 5 ? -0.021 1.441 4.702 1.00 0.51 ? 5 C A H5 1
|
| 1069 |
+
ATOM 161 H H6 . C A 1 5 ? 1.749 3.065 4.257 1.00 0.47 ? 5 C A H6 1
|
| 1070 |
+
ATOM 162 P P . U A 1 6 ? 3.850 7.120 0.345 1.00 0.95 ? 6 U A P 1
|
| 1071 |
+
ATOM 163 O OP1 . U A 1 6 ? 3.529 5.707 0.055 1.00 1.64 ? 6 U A OP1 1
|
| 1072 |
+
ATOM 164 O OP2 . U A 1 6 ? 5.212 7.632 0.075 1.00 1.55 ? 6 U A OP2 1
|
| 1073 |
+
ATOM 165 O "O5'" . U A 1 6 ? 2.798 8.046 -0.454 1.00 0.89 ? 6 U A "O5'" 1
|
| 1074 |
+
ATOM 166 C "C5'" . U A 1 6 ? 1.857 7.470 -1.370 1.00 0.62 ? 6 U A "C5'" 1
|
| 1075 |
+
ATOM 167 C "C4'" . U A 1 6 ? 0.475 8.101 -1.230 1.00 0.53 ? 6 U A "C4'" 1
|
| 1076 |
+
ATOM 168 O "O4'" . U A 1 6 ? 0.127 8.168 0.160 1.00 0.65 ? 6 U A "O4'" 1
|
| 1077 |
+
ATOM 169 C "C3'" . U A 1 6 ? 0.379 9.536 -1.742 1.00 0.62 ? 6 U A "C3'" 1
|
| 1078 |
+
ATOM 170 O "O3'" . U A 1 6 ? -0.938 9.705 -2.265 1.00 0.96 ? 6 U A "O3'" 1
|
| 1079 |
+
ATOM 171 C "C2'" . U A 1 6 ? 0.476 10.388 -0.488 1.00 0.65 ? 6 U A "C2'" 1
|
| 1080 |
+
ATOM 172 O "O2'" . U A 1 6 ? -0.236 11.616 -0.656 1.00 0.93 ? 6 U A "O2'" 1
|
| 1081 |
+
ATOM 173 C "C1'" . U A 1 6 ? -0.214 9.505 0.538 1.00 0.82 ? 6 U A "C1'" 1
|
| 1082 |
+
ATOM 174 N N1 . U A 1 6 ? 0.285 9.752 1.916 1.00 1.08 ? 6 U A N1 1
|
| 1083 |
+
ATOM 175 C C2 . U A 1 6 ? -0.546 10.416 2.808 1.00 1.56 ? 6 U A C2 1
|
| 1084 |
+
ATOM 176 O O2 . U A 1 6 ? -1.673 10.798 2.499 1.00 1.76 ? 6 U A O2 1
|
| 1085 |
+
ATOM 177 N N3 . U A 1 6 ? -0.034 10.627 4.073 1.00 1.88 ? 6 U A N3 1
|
| 1086 |
+
ATOM 178 C C4 . U A 1 6 ? 1.215 10.241 4.521 1.00 1.81 ? 6 U A C4 1
|
| 1087 |
+
ATOM 179 O O4 . U A 1 6 ? 1.557 10.486 5.676 1.00 2.17 ? 6 U A O4 1
|
| 1088 |
+
ATOM 180 C C5 . U A 1 6 ? 2.023 9.557 3.537 1.00 1.37 ? 6 U A C5 1
|
| 1089 |
+
ATOM 181 C C6 . U A 1 6 ? 1.538 9.338 2.289 1.00 1.01 ? 6 U A C6 1
|
| 1090 |
+
ATOM 182 H "H5'" . U A 1 6 ? 1.778 6.399 -1.179 1.00 1.06 ? 6 U A "H5'" 1
|
| 1091 |
+
ATOM 183 H "H5''" . U A 1 6 ? 2.215 7.623 -2.389 1.00 1.00 ? 6 U A "H5''" 1
|
| 1092 |
+
ATOM 184 H "H4'" . U A 1 6 ? -0.251 7.469 -1.742 1.00 0.79 ? 6 U A "H4'" 1
|
| 1093 |
+
ATOM 185 H "H3'" . U A 1 6 ? 1.138 9.776 -2.483 1.00 0.73 ? 6 U A "H3'" 1
|
| 1094 |
+
ATOM 186 H "H2'" . U A 1 6 ? 1.515 10.565 -0.218 1.00 0.68 ? 6 U A "H2'" 1
|
| 1095 |
+
ATOM 187 H "HO2'" . U A 1 6 ? -0.997 11.431 -1.211 1.00 1.05 ? 6 U A "HO2'" 1
|
| 1096 |
+
ATOM 188 H "H1'" . U A 1 6 ? -1.300 9.627 0.495 1.00 1.05 ? 6 U A "H1'" 1
|
| 1097 |
+
ATOM 189 H H3 . U A 1 6 ? -0.628 11.109 4.732 1.00 2.24 ? 6 U A H3 1
|
| 1098 |
+
ATOM 190 H H5 . U A 1 6 ? 3.025 9.216 3.799 1.00 1.42 ? 6 U A H5 1
|
| 1099 |
+
ATOM 191 H H6 . U A 1 6 ? 2.163 8.821 1.561 1.00 0.78 ? 6 U A H6 1
|
| 1100 |
+
ATOM 192 P P . U A 1 7 ? -1.314 9.111 -3.711 1.00 1.28 ? 7 U A P 1
|
| 1101 |
+
ATOM 193 O OP1 . U A 1 7 ? -0.056 8.743 -4.399 1.00 1.68 ? 7 U A OP1 1
|
| 1102 |
+
ATOM 194 O OP2 . U A 1 7 ? -2.267 10.038 -4.360 1.00 1.87 ? 7 U A OP2 1
|
| 1103 |
+
ATOM 195 O "O5'" . U A 1 7 ? -2.098 7.756 -3.335 1.00 0.75 ? 7 U A "O5'" 1
|
| 1104 |
+
ATOM 196 C "C5'" . U A 1 7 ? -3.261 7.803 -2.508 1.00 0.38 ? 7 U A "C5'" 1
|
| 1105 |
+
ATOM 197 C "C4'" . U A 1 7 ? -4.514 8.138 -3.335 1.00 0.26 ? 7 U A "C4'" 1
|
| 1106 |
+
ATOM 198 O "O4'" . U A 1 7 ? -4.101 8.455 -4.671 1.00 0.20 ? 7 U A "O4'" 1
|
| 1107 |
+
ATOM 199 C "C3'" . U A 1 7 ? -5.513 6.999 -3.503 1.00 0.34 ? 7 U A "C3'" 1
|
| 1108 |
+
ATOM 200 O "O3'" . U A 1 7 ? -6.785 7.586 -3.789 1.00 0.39 ? 7 U A "O3'" 1
|
| 1109 |
+
ATOM 201 C "C2'" . U A 1 7 ? -5.050 6.294 -4.764 1.00 0.29 ? 7 U A "C2'" 1
|
| 1110 |
+
ATOM 202 O "O2'" . U A 1 7 ? -6.148 5.647 -5.412 1.00 0.33 ? 7 U A "O2'" 1
|
| 1111 |
+
ATOM 203 C "C1'" . U A 1 7 ? -4.546 7.459 -5.606 1.00 0.23 ? 7 U A "C1'" 1
|
| 1112 |
+
ATOM 204 N N1 . U A 1 7 ? -3.390 7.065 -6.452 1.00 0.37 ? 7 U A N1 1
|
| 1113 |
+
ATOM 205 C C2 . U A 1 7 ? -3.531 7.120 -7.832 1.00 0.56 ? 7 U A C2 1
|
| 1114 |
+
ATOM 206 O O2 . U A 1 7 ? -4.567 7.498 -8.375 1.00 0.66 ? 7 U A O2 1
|
| 1115 |
+
ATOM 207 N N3 . U A 1 7 ? -2.434 6.722 -8.570 1.00 0.71 ? 7 U A N3 1
|
| 1116 |
+
ATOM 208 C C4 . U A 1 7 ? -1.227 6.280 -8.062 1.00 0.72 ? 7 U A C4 1
|
| 1117 |
+
ATOM 209 O O4 . U A 1 7 ? -0.319 5.963 -8.826 1.00 0.88 ? 7 U A O4 1
|
| 1118 |
+
ATOM 210 C C5 . U A 1 7 ? -1.156 6.249 -6.619 1.00 0.60 ? 7 U A C5 1
|
| 1119 |
+
ATOM 211 C C6 . U A 1 7 ? -2.220 6.639 -5.874 1.00 0.43 ? 7 U A C6 1
|
| 1120 |
+
ATOM 212 H "H5'" . U A 1 7 ? -3.115 8.566 -1.741 1.00 0.85 ? 7 U A "H5'" 1
|
| 1121 |
+
ATOM 213 H "H5''" . U A 1 7 ? -3.386 6.835 -2.020 1.00 0.44 ? 7 U A "H5''" 1
|
| 1122 |
+
ATOM 214 H "H4'" . U A 1 7 ? -5.006 9.011 -2.903 1.00 0.29 ? 7 U A "H4'" 1
|
| 1123 |
+
ATOM 215 H "H3'" . U A 1 7 ? -5.565 6.339 -2.638 1.00 0.47 ? 7 U A "H3'" 1
|
| 1124 |
+
ATOM 216 H "H2'" . U A 1 7 ? -4.248 5.589 -4.547 1.00 0.39 ? 7 U A "H2'" 1
|
| 1125 |
+
ATOM 217 H "HO2'" . U A 1 7 ? -6.603 6.312 -5.934 1.00 0.89 ? 7 U A "HO2'" 1
|
| 1126 |
+
ATOM 218 H "H1'" . U A 1 7 ? -5.350 7.875 -6.219 1.00 0.27 ? 7 U A "H1'" 1
|
| 1127 |
+
ATOM 219 H H3 . U A 1 7 ? -2.522 6.755 -9.576 1.00 0.87 ? 7 U A H3 1
|
| 1128 |
+
ATOM 220 H H5 . U A 1 7 ? -0.251 5.892 -6.127 1.00 0.69 ? 7 U A H5 1
|
| 1129 |
+
ATOM 221 H H6 . U A 1 7 ? -2.140 6.623 -4.786 1.00 0.44 ? 7 U A H6 1
|
| 1130 |
+
ATOM 222 P P . A A 1 8 ? -7.903 7.698 -2.634 1.00 0.66 ? 8 A A P 1
|
| 1131 |
+
ATOM 223 O OP1 . A A 1 8 ? -8.695 8.924 -2.876 1.00 1.05 ? 8 A A OP1 1
|
| 1132 |
+
ATOM 224 O OP2 . A A 1 8 ? -7.238 7.497 -1.328 1.00 1.24 ? 8 A A OP2 1
|
| 1133 |
+
ATOM 225 O "O5'" . A A 1 8 ? -8.847 6.423 -2.919 1.00 0.76 ? 8 A A "O5'" 1
|
| 1134 |
+
ATOM 226 C "C5'" . A A 1 8 ? -8.389 5.341 -3.734 1.00 0.70 ? 8 A A "C5'" 1
|
| 1135 |
+
ATOM 227 C "C4'" . A A 1 8 ? -7.429 4.428 -2.971 1.00 0.48 ? 8 A A "C4'" 1
|
| 1136 |
+
ATOM 228 O "O4'" . A A 1 8 ? -6.733 5.186 -2.004 1.00 0.54 ? 8 A A "O4'" 1
|
| 1137 |
+
ATOM 229 C "C3'" . A A 1 8 ? -8.085 3.339 -2.137 1.00 0.28 ? 8 A A "C3'" 1
|
| 1138 |
+
ATOM 230 O "O3'" . A A 1 8 ? -8.105 2.157 -2.942 1.00 0.52 ? 8 A A "O3'" 1
|
| 1139 |
+
ATOM 231 C "C2'" . A A 1 8 ? -7.090 3.089 -0.988 1.00 0.34 ? 8 A A "C2'" 1
|
| 1140 |
+
ATOM 232 O "O2'" . A A 1 8 ? -6.364 1.879 -1.221 1.00 0.52 ? 8 A A "O2'" 1
|
| 1141 |
+
ATOM 233 C "C1'" . A A 1 8 ? -6.139 4.298 -1.067 1.00 0.38 ? 8 A A "C1'" 1
|
| 1142 |
+
ATOM 234 N N9 . A A 1 8 ? -5.961 5.029 0.209 1.00 0.32 ? 8 A A N9 1
|
| 1143 |
+
ATOM 235 C C8 . A A 1 8 ? -6.859 5.259 1.227 1.00 0.40 ? 8 A A C8 1
|
| 1144 |
+
ATOM 236 N N7 . A A 1 8 ? -6.370 5.976 2.201 1.00 0.49 ? 8 A A N7 1
|
| 1145 |
+
ATOM 237 C C5 . A A 1 8 ? -5.066 6.241 1.801 1.00 0.42 ? 8 A A C5 1
|
| 1146 |
+
ATOM 238 C C6 . A A 1 8 ? -4.016 6.960 2.395 1.00 0.49 ? 8 A A C6 1
|
| 1147 |
+
ATOM 239 N N6 . A A 1 8 ? -4.118 7.569 3.576 1.00 0.67 ? 8 A A N6 1
|
| 1148 |
+
ATOM 240 N N1 . A A 1 8 ? -2.850 7.030 1.731 1.00 0.43 ? 8 A A N1 1
|
| 1149 |
+
ATOM 241 C C2 . A A 1 8 ? -2.739 6.423 0.555 1.00 0.34 ? 8 A A C2 1
|
| 1150 |
+
ATOM 242 N N3 . A A 1 8 ? -3.646 5.718 -0.106 1.00 0.31 ? 8 A A N3 1
|
| 1151 |
+
ATOM 243 C C4 . A A 1 8 ? -4.804 5.669 0.590 1.00 0.31 ? 8 A A C4 1
|
| 1152 |
+
ATOM 244 H "H5'" . A A 1 8 ? -7.880 5.749 -4.608 1.00 1.32 ? 8 A A "H5'" 1
|
| 1153 |
+
ATOM 245 H "H5''" . A A 1 8 ? -9.248 4.756 -4.063 1.00 1.15 ? 8 A A "H5''" 1
|
| 1154 |
+
ATOM 246 H "H4'" . A A 1 8 ? -6.711 3.995 -3.669 1.00 0.66 ? 8 A A "H4'" 1
|
| 1155 |
+
ATOM 247 H "H3'" . A A 1 8 ? -9.082 3.607 -1.790 1.00 0.48 ? 8 A A "H3'" 1
|
| 1156 |
+
ATOM 248 H "H2'" . A A 1 8 ? -7.605 3.049 -0.033 1.00 0.44 ? 8 A A "H2'" 1
|
| 1157 |
+
ATOM 249 H "HO2'" . A A 1 8 ? -6.155 1.848 -2.157 1.00 0.77 ? 8 A A "HO2'" 1
|
| 1158 |
+
ATOM 250 H "H1'" . A A 1 8 ? -5.162 3.992 -1.438 1.00 0.52 ? 8 A A "H1'" 1
|
| 1159 |
+
ATOM 251 H H8 . A A 1 8 ? -7.889 4.904 1.216 1.00 0.44 ? 8 A A H8 1
|
| 1160 |
+
ATOM 252 H H61 . A A 1 8 ? -3.324 8.061 3.961 1.00 0.74 ? 8 A A H61 1
|
| 1161 |
+
ATOM 253 H H62 . A A 1 8 ? -4.989 7.538 4.086 1.00 0.75 ? 8 A A H62 1
|
| 1162 |
+
ATOM 254 H H2 . A A 1 8 ? -1.771 6.528 0.060 1.00 0.37 ? 8 A A H2 1
|
| 1163 |
+
ATOM 255 P P . G A 1 9 ? -9.098 2.043 -4.208 1.00 0.62 ? 9 G A P 1
|
| 1164 |
+
ATOM 256 O OP1 . G A 1 9 ? -10.280 2.890 -3.943 1.00 0.74 ? 9 G A OP1 1
|
| 1165 |
+
ATOM 257 O OP2 . G A 1 9 ? -9.273 0.610 -4.532 1.00 0.94 ? 9 G A OP2 1
|
| 1166 |
+
ATOM 258 O "O5'" . G A 1 9 ? -8.243 2.728 -5.393 1.00 0.75 ? 9 G A "O5'" 1
|
| 1167 |
+
ATOM 259 C "C5'" . G A 1 9 ? -7.646 1.939 -6.433 1.00 0.50 ? 9 G A "C5'" 1
|
| 1168 |
+
ATOM 260 C "C4'" . G A 1 9 ? -6.179 2.305 -6.629 1.00 0.42 ? 9 G A "C4'" 1
|
| 1169 |
+
ATOM 261 O "O4'" . G A 1 9 ? -5.567 2.434 -5.343 1.00 0.38 ? 9 G A "O4'" 1
|
| 1170 |
+
ATOM 262 C "C3'" . G A 1 9 ? -5.351 1.266 -7.379 1.00 0.43 ? 9 G A "C3'" 1
|
| 1171 |
+
ATOM 263 O "O3'" . G A 1 9 ? -4.350 1.979 -8.107 1.00 0.46 ? 9 G A "O3'" 1
|
| 1172 |
+
ATOM 264 C "C2'" . G A 1 9 ? -4.635 0.485 -6.287 1.00 0.38 ? 9 G A "C2'" 1
|
| 1173 |
+
ATOM 265 O "O2'" . G A 1 9 ? -3.365 0.026 -6.757 1.00 0.38 ? 9 G A "O2'" 1
|
| 1174 |
+
ATOM 266 C "C1'" . G A 1 9 ? -4.453 1.552 -5.205 1.00 0.31 ? 9 G A "C1'" 1
|
| 1175 |
+
ATOM 267 N N9 . G A 1 9 ? -4.458 1.018 -3.821 1.00 0.32 ? 9 G A N9 1
|
| 1176 |
+
ATOM 268 C C8 . G A 1 9 ? -5.178 -0.027 -3.279 1.00 0.38 ? 9 G A C8 1
|
| 1177 |
+
ATOM 269 N N7 . G A 1 9 ? -4.953 -0.213 -2.009 1.00 0.40 ? 9 G A N7 1
|
| 1178 |
+
ATOM 270 C C5 . G A 1 9 ? -4.029 0.769 -1.681 1.00 0.35 ? 9 G A C5 1
|
| 1179 |
+
ATOM 271 C C6 . G A 1 9 ? -3.413 1.060 -0.433 1.00 0.35 ? 9 G A C6 1
|
| 1180 |
+
ATOM 272 O O6 . G A 1 9 ? -3.560 0.485 0.644 1.00 0.41 ? 9 G A O6 1
|
| 1181 |
+
ATOM 273 N N1 . G A 1 9 ? -2.545 2.133 -0.531 1.00 0.31 ? 9 G A N1 1
|
| 1182 |
+
ATOM 274 C C2 . G A 1 9 ? -2.293 2.844 -1.683 1.00 0.28 ? 9 G A C2 1
|
| 1183 |
+
ATOM 275 N N2 . G A 1 9 ? -1.436 3.860 -1.592 1.00 0.30 ? 9 G A N2 1
|
| 1184 |
+
ATOM 276 N N3 . G A 1 9 ? -2.862 2.578 -2.860 1.00 0.28 ? 9 G A N3 1
|
| 1185 |
+
ATOM 277 C C4 . G A 1 9 ? -3.718 1.530 -2.782 1.00 0.30 ? 9 G A C4 1
|
| 1186 |
+
ATOM 278 H "H5'" . G A 1 9 ? -8.184 2.113 -7.365 1.00 1.18 ? 9 G A "H5'" 1
|
| 1187 |
+
ATOM 279 H "H5''" . G A 1 9 ? -7.717 0.882 -6.172 1.00 1.14 ? 9 G A "H5''" 1
|
| 1188 |
+
ATOM 280 H "H4'" . G A 1 9 ? -6.121 3.265 -7.138 1.00 0.44 ? 9 G A "H4'" 1
|
| 1189 |
+
ATOM 281 H "H3'" . G A 1 9 ? -5.949 0.634 -8.036 1.00 0.51 ? 9 G A "H3'" 1
|
| 1190 |
+
ATOM 282 H "H2'" . G A 1 9 ? -5.246 -0.341 -5.943 1.00 0.43 ? 9 G A "H2'" 1
|
| 1191 |
+
ATOM 283 H "HO2'" . G A 1 9 ? -3.524 -0.494 -7.549 1.00 0.43 ? 9 G A "HO2'" 1
|
| 1192 |
+
ATOM 284 H "H1'" . G A 1 9 ? -3.531 2.115 -5.367 1.00 0.28 ? 9 G A "H1'" 1
|
| 1193 |
+
ATOM 285 H H8 . G A 1 9 ? -5.894 -0.622 -3.841 1.00 0.42 ? 9 G A H8 1
|
| 1194 |
+
ATOM 286 H H1 . G A 1 9 ? -2.068 2.415 0.312 1.00 0.33 ? 9 G A H1 1
|
| 1195 |
+
ATOM 287 H H21 . G A 1 9 ? -1.060 4.124 -0.693 1.00 0.32 ? 9 G A H21 1
|
| 1196 |
+
ATOM 288 H H22 . G A 1 9 ? -1.167 4.370 -2.421 1.00 0.32 ? 9 G A H22 1
|
| 1197 |
+
ATOM 289 P P . C A 1 10 ? -3.620 1.302 -9.372 1.00 0.54 ? 10 C A P 1
|
| 1198 |
+
ATOM 290 O OP1 . C A 1 10 ? -4.093 1.982 -10.599 1.00 1.02 ? 10 C A OP1 1
|
| 1199 |
+
ATOM 291 O OP2 . C A 1 10 ? -3.745 -0.168 -9.247 1.00 0.92 ? 10 C A OP2 1
|
| 1200 |
+
ATOM 292 O "O5'" . C A 1 10 ? -2.079 1.697 -9.138 1.00 0.49 ? 10 C A "O5'" 1
|
| 1201 |
+
ATOM 293 C "C5'" . C A 1 10 ? -1.655 3.056 -9.256 1.00 0.46 ? 10 C A "C5'" 1
|
| 1202 |
+
ATOM 294 C "C4'" . C A 1 10 ? -0.333 3.291 -8.535 1.00 0.50 ? 10 C A "C4'" 1
|
| 1203 |
+
ATOM 295 O "O4'" . C A 1 10 ? -0.586 3.534 -7.150 1.00 0.46 ? 10 C A "O4'" 1
|
| 1204 |
+
ATOM 296 C "C3'" . C A 1 10 ? 0.606 2.104 -8.526 1.00 0.57 ? 10 C A "C3'" 1
|
| 1205 |
+
ATOM 297 O "O3'" . C A 1 10 ? 1.446 2.220 -9.675 1.00 0.67 ? 10 C A "O3'" 1
|
| 1206 |
+
ATOM 298 C "C2'" . C A 1 10 ? 1.473 2.365 -7.305 1.00 0.60 ? 10 C A "C2'" 1
|
| 1207 |
+
ATOM 299 O "O2'" . C A 1 10 ? 2.536 3.266 -7.628 1.00 0.70 ? 10 C A "O2'" 1
|
| 1208 |
+
ATOM 300 C "C1'" . C A 1 10 ? 0.486 3.024 -6.338 1.00 0.50 ? 10 C A "C1'" 1
|
| 1209 |
+
ATOM 301 N N1 . C A 1 10 ? -0.079 2.049 -5.372 1.00 0.43 ? 10 C A N1 1
|
| 1210 |
+
ATOM 302 C C2 . C A 1 10 ? 0.442 2.021 -4.081 1.00 0.43 ? 10 C A C2 1
|
| 1211 |
+
ATOM 303 O O2 . C A 1 10 ? 1.342 2.795 -3.760 1.00 0.48 ? 10 C A O2 1
|
| 1212 |
+
ATOM 304 N N3 . C A 1 10 ? -0.061 1.121 -3.193 1.00 0.41 ? 10 C A N3 1
|
| 1213 |
+
ATOM 305 C C4 . C A 1 10 ? -1.033 0.276 -3.554 1.00 0.41 ? 10 C A C4 1
|
| 1214 |
+
ATOM 306 N N4 . C A 1 10 ? -1.499 -0.568 -2.636 1.00 0.43 ? 10 C A N4 1
|
| 1215 |
+
ATOM 307 C C5 . C A 1 10 ? -1.569 0.294 -4.878 1.00 0.40 ? 10 C A C5 1
|
| 1216 |
+
ATOM 308 C C6 . C A 1 10 ? -1.072 1.192 -5.748 1.00 0.41 ? 10 C A C6 1
|
| 1217 |
+
ATOM 309 H "H5'" . C A 1 10 ? -2.416 3.707 -8.825 1.00 0.44 ? 10 C A "H5'" 1
|
| 1218 |
+
ATOM 310 H "H5''" . C A 1 10 ? -1.535 3.299 -10.313 1.00 0.51 ? 10 C A "H5''" 1
|
| 1219 |
+
ATOM 311 H "H4'" . C A 1 10 ? 0.158 4.165 -8.965 1.00 0.56 ? 10 C A "H4'" 1
|
| 1220 |
+
ATOM 312 H "H3'" . C A 1 10 ? 0.091 1.144 -8.495 1.00 0.55 ? 10 C A "H3'" 1
|
| 1221 |
+
ATOM 313 H "H2'" . C A 1 10 ? 1.859 1.432 -6.893 1.00 0.64 ? 10 C A "H2'" 1
|
| 1222 |
+
ATOM 314 H "HO2'" . C A 1 10 ? 2.626 3.269 -8.584 1.00 0.87 ? 10 C A "HO2'" 1
|
| 1223 |
+
ATOM 315 H "H1'" . C A 1 10 ? 0.956 3.854 -5.806 1.00 0.55 ? 10 C A "H1'" 1
|
| 1224 |
+
ATOM 316 H H41 . C A 1 10 ? -1.138 -0.538 -1.694 1.00 0.45 ? 10 C A H41 1
|
| 1225 |
+
ATOM 317 H H42 . C A 1 10 ? -2.213 -1.238 -2.882 1.00 0.46 ? 10 C A H42 1
|
| 1226 |
+
ATOM 318 H H5 . C A 1 10 ? -2.332 -0.415 -5.192 1.00 0.42 ? 10 C A H5 1
|
| 1227 |
+
ATOM 319 H H6 . C A 1 10 ? -1.482 1.248 -6.758 1.00 0.42 ? 10 C A H6 1
|
| 1228 |
+
ATOM 320 P P . A A 1 11 ? 2.382 0.989 -10.118 1.00 0.78 ? 11 A A P 1
|
| 1229 |
+
ATOM 321 O OP1 . A A 1 11 ? 3.471 1.516 -10.972 1.00 0.90 ? 11 A A OP1 1
|
| 1230 |
+
ATOM 322 O OP2 . A A 1 11 ? 1.511 -0.098 -10.618 1.00 0.76 ? 11 A A OP2 1
|
| 1231 |
+
ATOM 323 O "O5'" . A A 1 11 ? 3.020 0.521 -8.717 1.00 0.79 ? 11 A A "O5'" 1
|
| 1232 |
+
ATOM 324 C "C5'" . A A 1 11 ? 4.241 1.097 -8.250 1.00 0.86 ? 11 A A "C5'" 1
|
| 1233 |
+
ATOM 325 C "C4'" . A A 1 11 ? 4.879 0.247 -7.159 1.00 0.86 ? 11 A A "C4'" 1
|
| 1234 |
+
ATOM 326 O "O4'" . A A 1 11 ? 4.199 0.460 -5.920 1.00 0.75 ? 11 A A "O4'" 1
|
| 1235 |
+
ATOM 327 C "C3'" . A A 1 11 ? 4.775 -1.247 -7.371 1.00 0.89 ? 11 A A "C3'" 1
|
| 1236 |
+
ATOM 328 O "O3'" . A A 1 11 ? 5.938 -1.653 -8.098 1.00 1.04 ? 11 A A "O3'" 1
|
| 1237 |
+
ATOM 329 C "C2'" . A A 1 11 ? 4.914 -1.808 -5.965 1.00 0.85 ? 11 A A "C2'" 1
|
| 1238 |
+
ATOM 330 O "O2'" . A A 1 11 ? 6.291 -2.000 -5.635 1.00 0.95 ? 11 A A "O2'" 1
|
| 1239 |
+
ATOM 331 C "C1'" . A A 1 11 ? 4.299 -0.712 -5.093 1.00 0.74 ? 11 A A "C1'" 1
|
| 1240 |
+
ATOM 332 N N9 . A A 1 11 ? 2.967 -1.103 -4.599 1.00 0.63 ? 11 A A N9 1
|
| 1241 |
+
ATOM 333 C C8 . A A 1 11 ? 1.789 -1.218 -5.291 1.00 0.61 ? 11 A A C8 1
|
| 1242 |
+
ATOM 334 N N7 . A A 1 11 ? 0.801 -1.675 -4.569 1.00 0.57 ? 11 A A N7 1
|
| 1243 |
+
ATOM 335 C C5 . A A 1 11 ? 1.370 -1.872 -3.314 1.00 0.55 ? 11 A A C5 1
|
| 1244 |
+
ATOM 336 C C6 . A A 1 11 ? 0.854 -2.345 -2.094 1.00 0.54 ? 11 A A C6 1
|
| 1245 |
+
ATOM 337 N N6 . A A 1 11 ? -0.405 -2.748 -1.930 1.00 0.58 ? 11 A A N6 1
|
| 1246 |
+
ATOM 338 N N1 . A A 1 11 ? 1.692 -2.413 -1.047 1.00 0.54 ? 11 A A N1 1
|
| 1247 |
+
ATOM 339 C C2 . A A 1 11 ? 2.954 -2.037 -1.204 1.00 0.56 ? 11 A A C2 1
|
| 1248 |
+
ATOM 340 N N3 . A A 1 11 ? 3.557 -1.581 -2.290 1.00 0.60 ? 11 A A N3 1
|
| 1249 |
+
ATOM 341 C C4 . A A 1 11 ? 2.688 -1.524 -3.322 1.00 0.58 ? 11 A A C4 1
|
| 1250 |
+
ATOM 342 H "H5'" . A A 1 11 ? 4.040 2.092 -7.854 1.00 0.84 ? 11 A A "H5'" 1
|
| 1251 |
+
ATOM 343 H "H5''" . A A 1 11 ? 4.935 1.181 -9.085 1.00 0.96 ? 11 A A "H5''" 1
|
| 1252 |
+
ATOM 344 H "H4'" . A A 1 11 ? 5.921 0.545 -7.045 1.00 0.95 ? 11 A A "H4'" 1
|
| 1253 |
+
ATOM 345 H "H3'" . A A 1 11 ? 3.855 -1.552 -7.871 1.00 0.86 ? 11 A A "H3'" 1
|
| 1254 |
+
ATOM 346 H "H2'" . A A 1 11 ? 4.347 -2.734 -5.864 1.00 0.84 ? 11 A A "H2'" 1
|
| 1255 |
+
ATOM 347 H "HO2'" . A A 1 11 ? 6.341 -2.758 -5.048 1.00 0.97 ? 11 A A "HO2'" 1
|
| 1256 |
+
ATOM 348 H "H1'" . A A 1 11 ? 4.944 -0.492 -4.242 1.00 0.76 ? 11 A A "H1'" 1
|
| 1257 |
+
ATOM 349 H H8 . A A 1 11 ? 1.689 -0.959 -6.345 1.00 0.64 ? 11 A A H8 1
|
| 1258 |
+
ATOM 350 H H61 . A A 1 11 ? -0.697 -3.144 -1.048 1.00 0.60 ? 11 A A H61 1
|
| 1259 |
+
ATOM 351 H H62 . A A 1 11 ? -1.067 -2.657 -2.686 1.00 0.60 ? 11 A A H62 1
|
| 1260 |
+
ATOM 352 H H2 . A A 1 11 ? 3.582 -2.115 -0.316 1.00 0.58 ? 11 A A H2 1
|
| 1261 |
+
ATOM 353 P P . C A 1 12 ? 6.108 -3.179 -8.583 1.00 1.15 ? 12 C A P 1
|
| 1262 |
+
ATOM 354 O OP1 . C A 1 12 ? 7.307 -3.259 -9.448 1.00 1.29 ? 12 C A OP1 1
|
| 1263 |
+
ATOM 355 O OP2 . C A 1 12 ? 4.801 -3.654 -9.090 1.00 1.11 ? 12 C A OP2 1
|
| 1264 |
+
ATOM 356 O "O5'" . C A 1 12 ? 6.427 -3.954 -7.207 1.00 1.15 ? 12 C A "O5'" 1
|
| 1265 |
+
ATOM 357 C "C5'" . C A 1 12 ? 7.776 -4.103 -6.756 1.00 1.22 ? 12 C A "C5'" 1
|
| 1266 |
+
ATOM 358 C "C4'" . C A 1 12 ? 7.840 -4.618 -5.319 1.00 1.18 ? 12 C A "C4'" 1
|
| 1267 |
+
ATOM 359 O "O4'" . C A 1 12 ? 6.789 -4.030 -4.552 1.00 1.04 ? 12 C A "O4'" 1
|
| 1268 |
+
ATOM 360 C "C3'" . C A 1 12 ? 7.601 -6.105 -5.157 1.00 1.24 ? 12 C A "C3'" 1
|
| 1269 |
+
ATOM 361 O "O3'" . C A 1 12 ? 8.869 -6.754 -5.271 1.00 1.40 ? 12 C A "O3'" 1
|
| 1270 |
+
ATOM 362 C "C2'" . C A 1 12 ? 7.166 -6.216 -3.704 1.00 1.16 ? 12 C A "C2'" 1
|
| 1271 |
+
ATOM 363 O "O2'" . C A 1 12 ? 8.305 -6.242 -2.840 1.00 1.23 ? 12 C A "O2'" 1
|
| 1272 |
+
ATOM 364 C "C1'" . C A 1 12 ? 6.370 -4.923 -3.503 1.00 1.01 ? 12 C A "C1'" 1
|
| 1273 |
+
ATOM 365 N N1 . C A 1 12 ? 4.908 -5.142 -3.627 1.00 0.94 ? 12 C A N1 1
|
| 1274 |
+
ATOM 366 C C2 . C A 1 12 ? 4.169 -5.315 -2.462 1.00 0.87 ? 12 C A C2 1
|
| 1275 |
+
ATOM 367 O O2 . C A 1 12 ? 4.726 -5.284 -1.366 1.00 0.86 ? 12 C A O2 1
|
| 1276 |
+
ATOM 368 N N3 . C A 1 12 ? 2.826 -5.518 -2.562 1.00 0.85 ? 12 C A N3 1
|
| 1277 |
+
ATOM 369 C C4 . C A 1 12 ? 2.228 -5.551 -3.759 1.00 0.89 ? 12 C A C4 1
|
| 1278 |
+
ATOM 370 N N4 . C A 1 12 ? 0.911 -5.751 -3.791 1.00 0.90 ? 12 C A N4 1
|
| 1279 |
+
ATOM 371 C C5 . C A 1 12 ? 2.980 -5.375 -4.963 1.00 0.94 ? 12 C A C5 1
|
| 1280 |
+
ATOM 372 C C6 . C A 1 12 ? 4.307 -5.174 -4.852 1.00 0.97 ? 12 C A C6 1
|
| 1281 |
+
ATOM 373 H "H5'" . C A 1 12 ? 8.276 -3.135 -6.811 1.00 1.20 ? 12 C A "H5'" 1
|
| 1282 |
+
ATOM 374 H "H5''" . C A 1 12 ? 8.294 -4.807 -7.408 1.00 1.35 ? 12 C A "H5''" 1
|
| 1283 |
+
ATOM 375 H "H4'" . C A 1 12 ? 8.799 -4.335 -4.882 1.00 1.24 ? 12 C A "H4'" 1
|
| 1284 |
+
ATOM 376 H "H3'" . C A 1 12 ? 6.872 -6.506 -5.861 1.00 1.25 ? 12 C A "H3'" 1
|
| 1285 |
+
ATOM 377 H "H2'" . C A 1 12 ? 6.535 -7.091 -3.549 1.00 1.19 ? 12 C A "H2'" 1
|
| 1286 |
+
ATOM 378 H "HO2'" . C A 1 12 ? 9.084 -6.303 -3.398 1.00 1.42 ? 12 C A "HO2'" 1
|
| 1287 |
+
ATOM 379 H "H1'" . C A 1 12 ? 6.601 -4.469 -2.537 1.00 0.97 ? 12 C A "H1'" 1
|
| 1288 |
+
ATOM 380 H H41 . C A 1 12 ? 0.393 -5.840 -2.928 1.00 0.89 ? 12 C A H41 1
|
| 1289 |
+
ATOM 381 H H42 . C A 1 12 ? 0.430 -5.814 -4.677 1.00 0.95 ? 12 C A H42 1
|
| 1290 |
+
ATOM 382 H H5 . C A 1 12 ? 2.504 -5.400 -5.943 1.00 0.99 ? 12 C A H5 1
|
| 1291 |
+
ATOM 383 H H6 . C A 1 12 ? 4.908 -5.037 -5.750 1.00 1.04 ? 12 C A H6 1
|
| 1292 |
+
ATOM 384 P P . C A 1 13 ? 8.959 -8.278 -5.782 1.00 1.53 ? 13 C A P 1
|
| 1293 |
+
ATOM 385 O OP1 . C A 1 13 ? 10.371 -8.713 -5.694 1.00 1.68 ? 13 C A OP1 1
|
| 1294 |
+
ATOM 386 O OP2 . C A 1 13 ? 8.234 -8.379 -7.067 1.00 1.54 ? 13 C A OP2 1
|
| 1295 |
+
ATOM 387 O "O5'" . C A 1 13 ? 8.117 -9.072 -4.664 1.00 1.50 ? 13 C A "O5'" 1
|
| 1296 |
+
ATOM 388 C "C5'" . C A 1 13 ? 8.729 -9.443 -3.426 1.00 1.50 ? 13 C A "C5'" 1
|
| 1297 |
+
ATOM 389 C "C4'" . C A 1 13 ? 7.689 -9.732 -2.348 1.00 1.44 ? 13 C A "C4'" 1
|
| 1298 |
+
ATOM 390 O "O4'" . C A 1 13 ? 6.623 -8.799 -2.456 1.00 1.29 ? 13 C A "O4'" 1
|
| 1299 |
+
ATOM 391 C "C3'" . C A 1 13 ? 6.991 -11.073 -2.473 1.00 1.55 ? 13 C A "C3'" 1
|
| 1300 |
+
ATOM 392 O "O3'" . C A 1 13 ? 7.782 -12.105 -1.879 1.00 1.69 ? 13 C A "O3'" 1
|
| 1301 |
+
ATOM 393 C "C2'" . C A 1 13 ? 5.714 -10.842 -1.664 1.00 1.45 ? 13 C A "C2'" 1
|
| 1302 |
+
ATOM 394 O "O2'" . C A 1 13 ? 5.933 -11.157 -0.287 1.00 1.47 ? 13 C A "O2'" 1
|
| 1303 |
+
ATOM 395 C "C1'" . C A 1 13 ? 5.453 -9.338 -1.832 1.00 1.28 ? 13 C A "C1'" 1
|
| 1304 |
+
ATOM 396 N N1 . C A 1 13 ? 4.284 -9.068 -2.700 1.00 1.24 ? 13 C A N1 1
|
| 1305 |
+
ATOM 397 C C2 . C A 1 13 ? 3.031 -9.023 -2.103 1.00 1.20 ? 13 C A C2 1
|
| 1306 |
+
ATOM 398 O O2 . C A 1 13 ? 2.919 -9.199 -0.892 1.00 1.18 ? 13 C A O2 1
|
| 1307 |
+
ATOM 399 N N3 . C A 1 13 ? 1.943 -8.782 -2.884 1.00 1.19 ? 13 C A N3 1
|
| 1308 |
+
ATOM 400 C C4 . C A 1 13 ? 2.077 -8.593 -4.203 1.00 1.22 ? 13 C A C4 1
|
| 1309 |
+
ATOM 401 N N4 . C A 1 13 ? 0.974 -8.363 -4.915 1.00 1.22 ? 13 C A N4 1
|
| 1310 |
+
ATOM 402 C C5 . C A 1 13 ? 3.365 -8.638 -4.826 1.00 1.26 ? 13 C A C5 1
|
| 1311 |
+
ATOM 403 C C6 . C A 1 13 ? 4.434 -8.877 -4.043 1.00 1.28 ? 13 C A C6 1
|
| 1312 |
+
ATOM 404 H "H5'" . C A 1 13 ? 9.374 -8.630 -3.092 1.00 1.44 ? 13 C A "H5'" 1
|
| 1313 |
+
ATOM 405 H "H5''" . C A 1 13 ? 9.334 -10.336 -3.583 1.00 1.63 ? 13 C A "H5''" 1
|
| 1314 |
+
ATOM 406 H "H4'" . C A 1 13 ? 8.153 -9.629 -1.367 1.00 1.44 ? 13 C A "H4'" 1
|
| 1315 |
+
ATOM 407 H "H3'" . C A 1 13 ? 6.761 -11.300 -3.514 1.00 1.58 ? 13 C A "H3'" 1
|
| 1316 |
+
ATOM 408 H "HO3'" . C A 1 13 ? 8.419 -11.679 -1.301 1.00 2.07 ? 13 C A "HO3'" 1
|
| 1317 |
+
ATOM 409 H "H2'" . C A 1 13 ? 4.888 -11.426 -2.071 1.00 1.51 ? 13 C A "H2'" 1
|
| 1318 |
+
ATOM 410 H "HO2'" . C A 1 13 ? 5.254 -11.784 -0.026 1.00 1.70 ? 13 C A "HO2'" 1
|
| 1319 |
+
ATOM 411 H "H1'" . C A 1 13 ? 5.313 -8.857 -0.863 1.00 1.21 ? 13 C A "H1'" 1
|
| 1320 |
+
ATOM 412 H H41 . C A 1 13 ? 0.073 -8.343 -4.458 1.00 1.22 ? 13 C A H41 1
|
| 1321 |
+
ATOM 413 H H42 . C A 1 13 ? 1.037 -8.211 -5.912 1.00 1.25 ? 13 C A H42 1
|
| 1322 |
+
ATOM 414 H H5 . C A 1 13 ? 3.486 -8.483 -5.898 1.00 1.29 ? 13 C A H5 1
|
| 1323 |
+
ATOM 415 H H6 . C A 1 13 ? 5.428 -8.924 -4.487 1.00 1.33 ? 13 C A H6 1
|
| 1324 |
+
#
|
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structures/2db3.cif
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structures/2eev.cif
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structures/2hua.cif
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structures/2jlv.cif
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structures/2l8h.cif
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structures/2lbl.cif
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structures/2nby.cif
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structures/2nug.cif
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structures/2y95.cif
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structures/2zh4.cif
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structures/2zhb.cif
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structures/2zi0.cif
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structures/387d.cif
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@@ -0,0 +1,1691 @@
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
data_387D
|
| 2 |
+
#
|
| 3 |
+
_entry.id 387D
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.383
|
| 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 387D pdb_0000387d 10.2210/pdb387d/pdb
|
| 15 |
+
NDB URX072 ? ?
|
| 16 |
+
RCSB RCSB001353 ? ?
|
| 17 |
+
WWPDB D_1000001353 ? ?
|
| 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 2003-08-26
|
| 26 |
+
2 'Structure model' 1 1 2008-04-26
|
| 27 |
+
3 'Structure model' 1 2 2011-07-13
|
| 28 |
+
4 'Structure model' 1 3 2018-04-04
|
| 29 |
+
5 'Structure model' 1 4 2023-12-27
|
| 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' 'Data collection'
|
| 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' diffrn_source
|
| 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 4 'Structure model' '_diffrn_source.type'
|
| 66 |
+
2 5 'Structure model' '_database_2.pdbx_DOI'
|
| 67 |
+
3 5 'Structure model' '_database_2.pdbx_database_accession'
|
| 68 |
+
#
|
| 69 |
+
_pdbx_database_status.status_code REL
|
| 70 |
+
_pdbx_database_status.entry_id 387D
|
| 71 |
+
_pdbx_database_status.recvd_initial_deposition_date 1998-04-14
|
| 72 |
+
_pdbx_database_status.deposit_site NDB
|
| 73 |
+
_pdbx_database_status.process_site NDB
|
| 74 |
+
_pdbx_database_status.SG_entry .
|
| 75 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 76 |
+
_pdbx_database_status.status_code_mr ?
|
| 77 |
+
_pdbx_database_status.status_code_sf ?
|
| 78 |
+
_pdbx_database_status.status_code_cs ?
|
| 79 |
+
_pdbx_database_status.methods_development_category ?
|
| 80 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 81 |
+
#
|
| 82 |
+
loop_
|
| 83 |
+
_audit_author.name
|
| 84 |
+
_audit_author.pdbx_ordinal
|
| 85 |
+
'Lietzke, S.E.' 1
|
| 86 |
+
'Kundrot, C.E.' 2
|
| 87 |
+
'Barnes, C.L.' 3
|
| 88 |
+
#
|
| 89 |
+
loop_
|
| 90 |
+
_citation.id
|
| 91 |
+
_citation.title
|
| 92 |
+
_citation.journal_abbrev
|
| 93 |
+
_citation.journal_volume
|
| 94 |
+
_citation.page_first
|
| 95 |
+
_citation.page_last
|
| 96 |
+
_citation.year
|
| 97 |
+
_citation.journal_id_ASTM
|
| 98 |
+
_citation.country
|
| 99 |
+
_citation.journal_id_ISSN
|
| 100 |
+
_citation.journal_id_CSD
|
| 101 |
+
_citation.book_publisher
|
| 102 |
+
_citation.pdbx_database_id_PubMed
|
| 103 |
+
_citation.pdbx_database_id_DOI
|
| 104 |
+
primary 'The Structure of an RNA Pseudoknot Shows 3D Domain Swapping'
|
| 105 |
+
;Structure, Motion, Interaction and Expression of Biological Macromolecules, The Proceedings of the Tenth Conversation held at The University-SUNY, Albany NY, June 17-21, 1997
|
| 106 |
+
;
|
| 107 |
+
10 91 101 1998 ? US 0-940030-75-6 ? ? -1 ?
|
| 108 |
+
1 'Preliminary X-ray Diffraction Studies of an RNA Pseudoknot that Inhibits HIV-1 Reverse Transcriptase'
|
| 109 |
+
'Acta Crystallogr.,Sect.D' 52 1018 1020 1996 ABCRE6 DK 0907-4449 0766 ? ? 10.1107/S0907444996004234
|
| 110 |
+
2
|
| 111 |
+
;Comprehensive chemical modification interference and nucleotide substitution analysis of an RNA pseudoknot inhibitor to HIV-1 reverse transcriptase
|
| 112 |
+
;
|
| 113 |
+
J.Mol.Biol. 247 60 68 1995 JMOBAK UK 0022-2836 0070 ? ? 10.1006/jmbi.1994.0122
|
| 114 |
+
3 'RNA pseudoknots that inhibit human immunodeficiency' Proc.Natl.Acad.Sci.USA 89 6988 6992 1992 PNASA6 US 0027-8424
|
| 115 |
+
0040 ? ? ?
|
| 116 |
+
#
|
| 117 |
+
loop_
|
| 118 |
+
_citation_author.citation_id
|
| 119 |
+
_citation_author.name
|
| 120 |
+
_citation_author.ordinal
|
| 121 |
+
_citation_author.identifier_ORCID
|
| 122 |
+
primary 'Lietzke, S.E.' 1 ?
|
| 123 |
+
primary 'Barnes, C.L.' 2 ?
|
| 124 |
+
primary 'Malone, V.F.' 3 ?
|
| 125 |
+
primary 'Jones, J.T.' 4 ?
|
| 126 |
+
primary 'Kundrot, C.E.' 5 ?
|
| 127 |
+
1 'Jones, J.T.' 6 ?
|
| 128 |
+
1 'Barnes, C.L.' 7 ?
|
| 129 |
+
1 'Lietzke, S.E.' 8 ?
|
| 130 |
+
1 'Wieichenrieder, O.' 9 ?
|
| 131 |
+
1 'Doudna, J.A.' 10 ?
|
| 132 |
+
1 'Kundrot, C.E.' 11 ?
|
| 133 |
+
2 'Green, L.' 12 ?
|
| 134 |
+
2 'Waugh, S.' 13 ?
|
| 135 |
+
2 'Brinkley, J.P.' 14 ?
|
| 136 |
+
2 'Hostomska, Z.' 15 ?
|
| 137 |
+
2 'Tuerk, C.' 16 ?
|
| 138 |
+
3 'Tuerk, C.' 17 ?
|
| 139 |
+
3 'MacDougal, S.' 18 ?
|
| 140 |
+
3 'Gould, L.' 19 ?
|
| 141 |
+
#
|
| 142 |
+
loop_
|
| 143 |
+
_entity.id
|
| 144 |
+
_entity.type
|
| 145 |
+
_entity.src_method
|
| 146 |
+
_entity.pdbx_description
|
| 147 |
+
_entity.formula_weight
|
| 148 |
+
_entity.pdbx_number_of_molecules
|
| 149 |
+
_entity.pdbx_ec
|
| 150 |
+
_entity.pdbx_mutation
|
| 151 |
+
_entity.pdbx_fragment
|
| 152 |
+
_entity.details
|
| 153 |
+
1 polymer syn 'RNA Pseudoknot' 8390.091 1 ? ? ? 26-mer
|
| 154 |
+
2 water nat water 18.015 6 ? ? ? ?
|
| 155 |
+
#
|
| 156 |
+
_entity_keywords.entity_id 1
|
| 157 |
+
_entity_keywords.text RNA
|
| 158 |
+
#
|
| 159 |
+
_entity_poly.entity_id 1
|
| 160 |
+
_entity_poly.type polyribonucleotide
|
| 161 |
+
_entity_poly.nstd_linkage no
|
| 162 |
+
_entity_poly.nstd_monomer no
|
| 163 |
+
_entity_poly.pdbx_seq_one_letter_code UCCGAAGUGCAACGGGAAAAUGCACU
|
| 164 |
+
_entity_poly.pdbx_seq_one_letter_code_can UCCGAAGUGCAACGGGAAAAUGCACU
|
| 165 |
+
_entity_poly.pdbx_strand_id A
|
| 166 |
+
_entity_poly.pdbx_target_identifier ?
|
| 167 |
+
#
|
| 168 |
+
_pdbx_entity_nonpoly.entity_id 2
|
| 169 |
+
_pdbx_entity_nonpoly.name water
|
| 170 |
+
_pdbx_entity_nonpoly.comp_id HOH
|
| 171 |
+
#
|
| 172 |
+
loop_
|
| 173 |
+
_entity_poly_seq.entity_id
|
| 174 |
+
_entity_poly_seq.num
|
| 175 |
+
_entity_poly_seq.mon_id
|
| 176 |
+
_entity_poly_seq.hetero
|
| 177 |
+
1 1 U n
|
| 178 |
+
1 2 C n
|
| 179 |
+
1 3 C n
|
| 180 |
+
1 4 G n
|
| 181 |
+
1 5 A n
|
| 182 |
+
1 6 A n
|
| 183 |
+
1 7 G n
|
| 184 |
+
1 8 U n
|
| 185 |
+
1 9 G n
|
| 186 |
+
1 10 C n
|
| 187 |
+
1 11 A n
|
| 188 |
+
1 12 A n
|
| 189 |
+
1 13 C n
|
| 190 |
+
1 14 G n
|
| 191 |
+
1 15 G n
|
| 192 |
+
1 16 G n
|
| 193 |
+
1 17 A n
|
| 194 |
+
1 18 A n
|
| 195 |
+
1 19 A n
|
| 196 |
+
1 20 A n
|
| 197 |
+
1 21 U n
|
| 198 |
+
1 22 G n
|
| 199 |
+
1 23 C n
|
| 200 |
+
1 24 A n
|
| 201 |
+
1 25 C n
|
| 202 |
+
1 26 U n
|
| 203 |
+
#
|
| 204 |
+
loop_
|
| 205 |
+
_chem_comp.id
|
| 206 |
+
_chem_comp.type
|
| 207 |
+
_chem_comp.mon_nstd_flag
|
| 208 |
+
_chem_comp.name
|
| 209 |
+
_chem_comp.pdbx_synonyms
|
| 210 |
+
_chem_comp.formula
|
| 211 |
+
_chem_comp.formula_weight
|
| 212 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 213 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 214 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 215 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 216 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 217 |
+
#
|
| 218 |
+
loop_
|
| 219 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 220 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 221 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 222 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 223 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 224 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 225 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 226 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 227 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 228 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 229 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 230 |
+
_pdbx_poly_seq_scheme.hetero
|
| 231 |
+
A 1 1 U 1 1 1 U U A . n
|
| 232 |
+
A 1 2 C 2 2 2 C C A . n
|
| 233 |
+
A 1 3 C 3 3 3 C C A . n
|
| 234 |
+
A 1 4 G 4 4 4 G G A . n
|
| 235 |
+
A 1 5 A 5 5 5 A A A . n
|
| 236 |
+
A 1 6 A 6 6 6 A A A . n
|
| 237 |
+
A 1 7 G 7 7 7 G G A . n
|
| 238 |
+
A 1 8 U 8 8 8 U U A . n
|
| 239 |
+
A 1 9 G 9 9 9 G G A . n
|
| 240 |
+
A 1 10 C 10 10 10 C C A . n
|
| 241 |
+
A 1 11 A 11 11 11 A A A . n
|
| 242 |
+
A 1 12 A 12 12 12 A A A . n
|
| 243 |
+
A 1 13 C 13 13 13 C C A . n
|
| 244 |
+
A 1 14 G 14 14 14 G G A . n
|
| 245 |
+
A 1 15 G 15 15 15 G G A . n
|
| 246 |
+
A 1 16 G 16 16 16 G G A . n
|
| 247 |
+
A 1 17 A 17 17 17 A A A . n
|
| 248 |
+
A 1 18 A 18 18 18 A A A . n
|
| 249 |
+
A 1 19 A 19 19 19 A A A . n
|
| 250 |
+
A 1 20 A 20 20 20 A A A . n
|
| 251 |
+
A 1 21 U 21 21 21 U U A . n
|
| 252 |
+
A 1 22 G 22 22 22 G G A . n
|
| 253 |
+
A 1 23 C 23 23 23 C C A . n
|
| 254 |
+
A 1 24 A 24 24 24 A A A . n
|
| 255 |
+
A 1 25 C 25 25 25 C C A . n
|
| 256 |
+
A 1 26 U 26 26 26 U U A . n
|
| 257 |
+
#
|
| 258 |
+
loop_
|
| 259 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 260 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 261 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 262 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 263 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 264 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 265 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 266 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 267 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 268 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 269 |
+
B 2 HOH 1 27 1 HOH HOH A .
|
| 270 |
+
B 2 HOH 2 28 2 HOH HOH A .
|
| 271 |
+
B 2 HOH 3 29 3 HOH HOH A .
|
| 272 |
+
B 2 HOH 4 30 4 HOH HOH A .
|
| 273 |
+
B 2 HOH 5 31 5 HOH HOH A .
|
| 274 |
+
B 2 HOH 6 32 6 HOH HOH A .
|
| 275 |
+
#
|
| 276 |
+
loop_
|
| 277 |
+
_software.name
|
| 278 |
+
_software.classification
|
| 279 |
+
_software.version
|
| 280 |
+
_software.citation_id
|
| 281 |
+
_software.pdbx_ordinal
|
| 282 |
+
XDS 'data scaling' . ? 1
|
| 283 |
+
XSCALE 'data scaling' . ? 2
|
| 284 |
+
X-PLOR refinement 3.1 ? 3
|
| 285 |
+
XDS 'data reduction' . ? 4
|
| 286 |
+
#
|
| 287 |
+
_cell.entry_id 387D
|
| 288 |
+
_cell.length_a 61.600
|
| 289 |
+
_cell.length_b 61.600
|
| 290 |
+
_cell.length_c 98.900
|
| 291 |
+
_cell.angle_alpha 90.00
|
| 292 |
+
_cell.angle_beta 90.00
|
| 293 |
+
_cell.angle_gamma 90.00
|
| 294 |
+
_cell.Z_PDB 8
|
| 295 |
+
_cell.pdbx_unique_axis ?
|
| 296 |
+
#
|
| 297 |
+
_symmetry.entry_id 387D
|
| 298 |
+
_symmetry.space_group_name_H-M 'P 43 2 2'
|
| 299 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 300 |
+
_symmetry.cell_setting tetragonal
|
| 301 |
+
_symmetry.Int_Tables_number 95
|
| 302 |
+
#
|
| 303 |
+
_exptl.entry_id 387D
|
| 304 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 305 |
+
_exptl.crystals_number 1
|
| 306 |
+
#
|
| 307 |
+
_exptl_crystal.id 1
|
| 308 |
+
_exptl_crystal.density_meas ?
|
| 309 |
+
_exptl_crystal.density_percent_sol 78.00
|
| 310 |
+
_exptl_crystal.density_Matthews 5.59
|
| 311 |
+
_exptl_crystal.description ?
|
| 312 |
+
#
|
| 313 |
+
_exptl_crystal_grow.crystal_id 1
|
| 314 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 315 |
+
_exptl_crystal_grow.temp 293.00
|
| 316 |
+
_exptl_crystal_grow.pH 6.50
|
| 317 |
+
_exptl_crystal_grow.pdbx_details 'pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K'
|
| 318 |
+
_exptl_crystal_grow.temp_details ?
|
| 319 |
+
_exptl_crystal_grow.pdbx_pH_range .
|
| 320 |
+
#
|
| 321 |
+
loop_
|
| 322 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 323 |
+
_exptl_crystal_grow_comp.id
|
| 324 |
+
_exptl_crystal_grow_comp.sol_id
|
| 325 |
+
_exptl_crystal_grow_comp.name
|
| 326 |
+
_exptl_crystal_grow_comp.volume
|
| 327 |
+
_exptl_crystal_grow_comp.conc
|
| 328 |
+
_exptl_crystal_grow_comp.details
|
| 329 |
+
1 1 1 MGCL2 1 2 3
|
| 330 |
+
1 2 1 'SODIUM CACODYLATE' 4 5 6
|
| 331 |
+
1 3 1 'SODIUM ACETATE' 7 8 9
|
| 332 |
+
1 4 2 'SODIUM CACODYLATE' 10 11 12
|
| 333 |
+
1 5 2 'SODIUM ACETATE' 13 14 15
|
| 334 |
+
#
|
| 335 |
+
_diffrn.id 1
|
| 336 |
+
_diffrn.ambient_temp 100.00
|
| 337 |
+
_diffrn.ambient_temp_details ?
|
| 338 |
+
_diffrn.crystal_id 1
|
| 339 |
+
#
|
| 340 |
+
_diffrn_detector.diffrn_id 1
|
| 341 |
+
_diffrn_detector.detector 'AREA DETECTOR'
|
| 342 |
+
_diffrn_detector.type SIEMENS
|
| 343 |
+
_diffrn_detector.pdbx_collection_date 1995-10-26
|
| 344 |
+
_diffrn_detector.details ?
|
| 345 |
+
#
|
| 346 |
+
_diffrn_radiation.diffrn_id 1
|
| 347 |
+
_diffrn_radiation.wavelength_id 1
|
| 348 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 349 |
+
_diffrn_radiation.monochromator ?
|
| 350 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 351 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 352 |
+
#
|
| 353 |
+
_diffrn_radiation_wavelength.id 1
|
| 354 |
+
_diffrn_radiation_wavelength.wavelength .
|
| 355 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 356 |
+
#
|
| 357 |
+
_diffrn_source.diffrn_id 1
|
| 358 |
+
_diffrn_source.source 'ROTATING ANODE'
|
| 359 |
+
_diffrn_source.type 'RIGAKU RU200'
|
| 360 |
+
_diffrn_source.pdbx_synchrotron_site ?
|
| 361 |
+
_diffrn_source.pdbx_synchrotron_beamline ?
|
| 362 |
+
_diffrn_source.pdbx_wavelength ?
|
| 363 |
+
_diffrn_source.pdbx_wavelength_list ?
|
| 364 |
+
#
|
| 365 |
+
_reflns.entry_id 387D
|
| 366 |
+
_reflns.observed_criterion_sigma_I 0.000
|
| 367 |
+
_reflns.observed_criterion_sigma_F 0.000
|
| 368 |
+
_reflns.d_resolution_low 50.000
|
| 369 |
+
_reflns.d_resolution_high 3.100
|
| 370 |
+
_reflns.number_obs 3615
|
| 371 |
+
_reflns.number_all 3615
|
| 372 |
+
_reflns.percent_possible_obs 95.200
|
| 373 |
+
_reflns.pdbx_Rmerge_I_obs 0.051
|
| 374 |
+
_reflns.pdbx_Rsym_value ?
|
| 375 |
+
_reflns.pdbx_netI_over_sigmaI ?
|
| 376 |
+
_reflns.B_iso_Wilson_estimate ?
|
| 377 |
+
_reflns.pdbx_redundancy 2.700
|
| 378 |
+
_reflns.R_free_details ?
|
| 379 |
+
_reflns.pdbx_diffrn_id 1
|
| 380 |
+
_reflns.pdbx_ordinal 1
|
| 381 |
+
#
|
| 382 |
+
_refine.entry_id 387D
|
| 383 |
+
_refine.ls_number_reflns_obs 3467
|
| 384 |
+
_refine.ls_number_reflns_all ?
|
| 385 |
+
_refine.pdbx_ls_sigma_I ?
|
| 386 |
+
_refine.pdbx_ls_sigma_F 2.000
|
| 387 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 388 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 389 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 390 |
+
_refine.ls_d_res_low 10.000
|
| 391 |
+
_refine.ls_d_res_high 3.100
|
| 392 |
+
_refine.ls_percent_reflns_obs ?
|
| 393 |
+
_refine.ls_R_factor_obs 0.1811
|
| 394 |
+
_refine.ls_R_factor_all ?
|
| 395 |
+
_refine.ls_R_factor_R_work 0.181
|
| 396 |
+
_refine.ls_R_factor_R_free 0.234
|
| 397 |
+
_refine.ls_R_factor_R_free_error ?
|
| 398 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 399 |
+
_refine.ls_percent_reflns_R_free 7.3
|
| 400 |
+
_refine.ls_number_reflns_R_free 254
|
| 401 |
+
_refine.ls_number_parameters ?
|
| 402 |
+
_refine.ls_number_restraints ?
|
| 403 |
+
_refine.occupancy_min ?
|
| 404 |
+
_refine.occupancy_max ?
|
| 405 |
+
_refine.B_iso_mean ?
|
| 406 |
+
_refine.aniso_B[1][1] ?
|
| 407 |
+
_refine.aniso_B[2][2] ?
|
| 408 |
+
_refine.aniso_B[3][3] ?
|
| 409 |
+
_refine.aniso_B[1][2] ?
|
| 410 |
+
_refine.aniso_B[1][3] ?
|
| 411 |
+
_refine.aniso_B[2][3] ?
|
| 412 |
+
_refine.solvent_model_details ?
|
| 413 |
+
_refine.solvent_model_param_ksol ?
|
| 414 |
+
_refine.solvent_model_param_bsol ?
|
| 415 |
+
_refine.pdbx_ls_cross_valid_method ?
|
| 416 |
+
_refine.details ?
|
| 417 |
+
_refine.pdbx_starting_model ?
|
| 418 |
+
_refine.pdbx_method_to_determine_struct ?
|
| 419 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 420 |
+
_refine.pdbx_stereochemistry_target_values ?
|
| 421 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 422 |
+
_refine.pdbx_R_Free_selection_details ?
|
| 423 |
+
_refine.pdbx_overall_ESU_R ?
|
| 424 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 425 |
+
_refine.overall_SU_ML ?
|
| 426 |
+
_refine.overall_SU_B ?
|
| 427 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 428 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 429 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 430 |
+
_refine.overall_SU_R_free ?
|
| 431 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 432 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 433 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 434 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 435 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 436 |
+
_refine.pdbx_diffrn_id 1
|
| 437 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 438 |
+
_refine.pdbx_overall_phase_error ?
|
| 439 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 440 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 441 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 442 |
+
#
|
| 443 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 444 |
+
_refine_hist.cycle_id LAST
|
| 445 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 446 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 639
|
| 447 |
+
_refine_hist.pdbx_number_atoms_ligand 0
|
| 448 |
+
_refine_hist.number_atoms_solvent 18
|
| 449 |
+
_refine_hist.number_atoms_total 657
|
| 450 |
+
_refine_hist.d_res_high 3.100
|
| 451 |
+
_refine_hist.d_res_low 10.000
|
| 452 |
+
#
|
| 453 |
+
loop_
|
| 454 |
+
_refine_ls_restr.type
|
| 455 |
+
_refine_ls_restr.dev_ideal
|
| 456 |
+
_refine_ls_restr.dev_ideal_target
|
| 457 |
+
_refine_ls_restr.weight
|
| 458 |
+
_refine_ls_restr.number
|
| 459 |
+
_refine_ls_restr.pdbx_refine_id
|
| 460 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 461 |
+
x_bond_d 0.013 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 462 |
+
x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 463 |
+
x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 464 |
+
x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 465 |
+
x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 466 |
+
x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 467 |
+
x_angle_deg 1.61 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 468 |
+
x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 469 |
+
x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 470 |
+
x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 471 |
+
x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 472 |
+
x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 473 |
+
x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 474 |
+
x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 475 |
+
x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 476 |
+
x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 477 |
+
x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 478 |
+
x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 479 |
+
x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
|
| 480 |
+
#
|
| 481 |
+
_database_PDB_matrix.entry_id 387D
|
| 482 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 483 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 484 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 485 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 486 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 487 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 488 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 489 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 490 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 491 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 492 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 493 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 494 |
+
#
|
| 495 |
+
_struct.entry_id 387D
|
| 496 |
+
_struct.title 'RNA Pseudoknot with 3D Domain Swapping'
|
| 497 |
+
_struct.pdbx_model_details ?
|
| 498 |
+
_struct.pdbx_CASP_flag ?
|
| 499 |
+
_struct.pdbx_model_type_details ?
|
| 500 |
+
#
|
| 501 |
+
_struct_keywords.entry_id 387D
|
| 502 |
+
_struct_keywords.pdbx_keywords RNA
|
| 503 |
+
_struct_keywords.text 'RNA PSEUDOKNOT, RNA'
|
| 504 |
+
#
|
| 505 |
+
loop_
|
| 506 |
+
_struct_asym.id
|
| 507 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 508 |
+
_struct_asym.pdbx_modified
|
| 509 |
+
_struct_asym.entity_id
|
| 510 |
+
_struct_asym.details
|
| 511 |
+
A N N 1 ?
|
| 512 |
+
B N N 2 ?
|
| 513 |
+
#
|
| 514 |
+
_struct_ref.id 1
|
| 515 |
+
_struct_ref.entity_id 1
|
| 516 |
+
_struct_ref.db_name PDB
|
| 517 |
+
_struct_ref.db_code 387D
|
| 518 |
+
_struct_ref.pdbx_db_accession 387D
|
| 519 |
+
_struct_ref.pdbx_db_isoform ?
|
| 520 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 521 |
+
_struct_ref.pdbx_align_begin ?
|
| 522 |
+
#
|
| 523 |
+
_struct_ref_seq.align_id 1
|
| 524 |
+
_struct_ref_seq.ref_id 1
|
| 525 |
+
_struct_ref_seq.pdbx_PDB_id_code 387D
|
| 526 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 527 |
+
_struct_ref_seq.seq_align_beg 1
|
| 528 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 529 |
+
_struct_ref_seq.seq_align_end 26
|
| 530 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 531 |
+
_struct_ref_seq.pdbx_db_accession 387D
|
| 532 |
+
_struct_ref_seq.db_align_beg 1
|
| 533 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 534 |
+
_struct_ref_seq.db_align_end 26
|
| 535 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 536 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 537 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 26
|
| 538 |
+
#
|
| 539 |
+
_pdbx_struct_assembly.id 1
|
| 540 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 541 |
+
_pdbx_struct_assembly.method_details ?
|
| 542 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 543 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 544 |
+
#
|
| 545 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 546 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 547 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B
|
| 548 |
+
#
|
| 549 |
+
_pdbx_struct_oper_list.id 1
|
| 550 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 551 |
+
_pdbx_struct_oper_list.name 1_555
|
| 552 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 553 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 554 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 555 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 556 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 557 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 558 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 559 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 560 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 561 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 562 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 563 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 564 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 565 |
+
#
|
| 566 |
+
_struct_biol.id 1
|
| 567 |
+
_struct_biol.pdbx_parent_biol_id ?
|
| 568 |
+
_struct_biol.details ?
|
| 569 |
+
#
|
| 570 |
+
loop_
|
| 571 |
+
_struct_conn.id
|
| 572 |
+
_struct_conn.conn_type_id
|
| 573 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 574 |
+
_struct_conn.pdbx_PDB_id
|
| 575 |
+
_struct_conn.ptnr1_label_asym_id
|
| 576 |
+
_struct_conn.ptnr1_label_comp_id
|
| 577 |
+
_struct_conn.ptnr1_label_seq_id
|
| 578 |
+
_struct_conn.ptnr1_label_atom_id
|
| 579 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 580 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 581 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 582 |
+
_struct_conn.ptnr1_symmetry
|
| 583 |
+
_struct_conn.ptnr2_label_asym_id
|
| 584 |
+
_struct_conn.ptnr2_label_comp_id
|
| 585 |
+
_struct_conn.ptnr2_label_seq_id
|
| 586 |
+
_struct_conn.ptnr2_label_atom_id
|
| 587 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 588 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 589 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 590 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 591 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 592 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 593 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 594 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 595 |
+
_struct_conn.ptnr2_symmetry
|
| 596 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 597 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 598 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 599 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 600 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 601 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 602 |
+
_struct_conn.details
|
| 603 |
+
_struct_conn.pdbx_dist_value
|
| 604 |
+
_struct_conn.pdbx_value_order
|
| 605 |
+
_struct_conn.pdbx_role
|
| 606 |
+
hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 A A 18 N1 ? ? A U 1 A A 18 1_555 ? ? ? ? ? ? 'U-A PAIR' ? ? ?
|
| 607 |
+
hydrog2 hydrog ? ? A C 2 N3 ? ? ? 1_555 A G 15 N1 ? ? A C 2 A G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 608 |
+
hydrog3 hydrog ? ? A C 2 N4 ? ? ? 1_555 A G 15 O6 ? ? A C 2 A G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 609 |
+
hydrog4 hydrog ? ? A C 2 O2 ? ? ? 1_555 A G 15 N2 ? ? A C 2 A G 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 610 |
+
hydrog5 hydrog ? ? A C 3 N3 ? ? ? 1_555 A G 14 N1 ? ? A C 3 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 611 |
+
hydrog6 hydrog ? ? A C 3 N4 ? ? ? 1_555 A G 14 O6 ? ? A C 3 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 612 |
+
hydrog7 hydrog ? ? A C 3 O2 ? ? ? 1_555 A G 14 N2 ? ? A C 3 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 613 |
+
hydrog8 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 4 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 614 |
+
hydrog9 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 4 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 615 |
+
hydrog10 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 4 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 616 |
+
hydrog11 hydrog ? ? A A 5 N1 ? ? ? 1_555 A A 12 N6 ? ? A A 5 A A 12 1_555 ? ? ? ? ? ? 'A-A MISPAIR' ? ? ?
|
| 617 |
+
#
|
| 618 |
+
_struct_conn_type.id hydrog
|
| 619 |
+
_struct_conn_type.criteria ?
|
| 620 |
+
_struct_conn_type.reference ?
|
| 621 |
+
#
|
| 622 |
+
_pdbx_validate_symm_contact.id 1
|
| 623 |
+
_pdbx_validate_symm_contact.PDB_model_num 1
|
| 624 |
+
_pdbx_validate_symm_contact.auth_atom_id_1 O6
|
| 625 |
+
_pdbx_validate_symm_contact.auth_asym_id_1 A
|
| 626 |
+
_pdbx_validate_symm_contact.auth_comp_id_1 G
|
| 627 |
+
_pdbx_validate_symm_contact.auth_seq_id_1 16
|
| 628 |
+
_pdbx_validate_symm_contact.PDB_ins_code_1 ?
|
| 629 |
+
_pdbx_validate_symm_contact.label_alt_id_1 ?
|
| 630 |
+
_pdbx_validate_symm_contact.site_symmetry_1 1_555
|
| 631 |
+
_pdbx_validate_symm_contact.auth_atom_id_2 O6
|
| 632 |
+
_pdbx_validate_symm_contact.auth_asym_id_2 A
|
| 633 |
+
_pdbx_validate_symm_contact.auth_comp_id_2 G
|
| 634 |
+
_pdbx_validate_symm_contact.auth_seq_id_2 16
|
| 635 |
+
_pdbx_validate_symm_contact.PDB_ins_code_2 ?
|
| 636 |
+
_pdbx_validate_symm_contact.label_alt_id_2 ?
|
| 637 |
+
_pdbx_validate_symm_contact.site_symmetry_2 6_566
|
| 638 |
+
_pdbx_validate_symm_contact.dist 2.14
|
| 639 |
+
#
|
| 640 |
+
_pdbx_validate_rmsd_bond.id 1
|
| 641 |
+
_pdbx_validate_rmsd_bond.PDB_model_num 1
|
| 642 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_1 C5
|
| 643 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_1 A
|
| 644 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_1 A
|
| 645 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_1 20
|
| 646 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_1 ?
|
| 647 |
+
_pdbx_validate_rmsd_bond.label_alt_id_1 ?
|
| 648 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_2 C6
|
| 649 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_2 A
|
| 650 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_2 A
|
| 651 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_2 20
|
| 652 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_2 ?
|
| 653 |
+
_pdbx_validate_rmsd_bond.label_alt_id_2 ?
|
| 654 |
+
_pdbx_validate_rmsd_bond.bond_value 1.347
|
| 655 |
+
_pdbx_validate_rmsd_bond.bond_target_value 1.406
|
| 656 |
+
_pdbx_validate_rmsd_bond.bond_deviation -0.059
|
| 657 |
+
_pdbx_validate_rmsd_bond.bond_standard_deviation 0.009
|
| 658 |
+
_pdbx_validate_rmsd_bond.linker_flag N
|
| 659 |
+
#
|
| 660 |
+
loop_
|
| 661 |
+
_pdbx_validate_planes.id
|
| 662 |
+
_pdbx_validate_planes.PDB_model_num
|
| 663 |
+
_pdbx_validate_planes.auth_comp_id
|
| 664 |
+
_pdbx_validate_planes.auth_asym_id
|
| 665 |
+
_pdbx_validate_planes.auth_seq_id
|
| 666 |
+
_pdbx_validate_planes.PDB_ins_code
|
| 667 |
+
_pdbx_validate_planes.label_alt_id
|
| 668 |
+
_pdbx_validate_planes.rmsd
|
| 669 |
+
_pdbx_validate_planes.type
|
| 670 |
+
1 1 G A 4 ? ? 0.061 'SIDE CHAIN'
|
| 671 |
+
2 1 A A 5 ? ? 0.075 'SIDE CHAIN'
|
| 672 |
+
3 1 C A 10 ? ? 0.085 'SIDE CHAIN'
|
| 673 |
+
4 1 A A 11 ? ? 0.056 'SIDE CHAIN'
|
| 674 |
+
5 1 G A 14 ? ? 0.081 'SIDE CHAIN'
|
| 675 |
+
6 1 G A 16 ? ? 0.069 'SIDE CHAIN'
|
| 676 |
+
7 1 C A 25 ? ? 0.093 'SIDE CHAIN'
|
| 677 |
+
#
|
| 678 |
+
loop_
|
| 679 |
+
_chem_comp_atom.comp_id
|
| 680 |
+
_chem_comp_atom.atom_id
|
| 681 |
+
_chem_comp_atom.type_symbol
|
| 682 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 683 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 684 |
+
_chem_comp_atom.pdbx_ordinal
|
| 685 |
+
A OP3 O N N 1
|
| 686 |
+
A P P N N 2
|
| 687 |
+
A OP1 O N N 3
|
| 688 |
+
A OP2 O N N 4
|
| 689 |
+
A "O5'" O N N 5
|
| 690 |
+
A "C5'" C N N 6
|
| 691 |
+
A "C4'" C N R 7
|
| 692 |
+
A "O4'" O N N 8
|
| 693 |
+
A "C3'" C N S 9
|
| 694 |
+
A "O3'" O N N 10
|
| 695 |
+
A "C2'" C N R 11
|
| 696 |
+
A "O2'" O N N 12
|
| 697 |
+
A "C1'" C N R 13
|
| 698 |
+
A N9 N Y N 14
|
| 699 |
+
A C8 C Y N 15
|
| 700 |
+
A N7 N Y N 16
|
| 701 |
+
A C5 C Y N 17
|
| 702 |
+
A C6 C Y N 18
|
| 703 |
+
A N6 N N N 19
|
| 704 |
+
A N1 N Y N 20
|
| 705 |
+
A C2 C Y N 21
|
| 706 |
+
A N3 N Y N 22
|
| 707 |
+
A C4 C Y N 23
|
| 708 |
+
A HOP3 H N N 24
|
| 709 |
+
A HOP2 H N N 25
|
| 710 |
+
A "H5'" H N N 26
|
| 711 |
+
A "H5''" H N N 27
|
| 712 |
+
A "H4'" H N N 28
|
| 713 |
+
A "H3'" H N N 29
|
| 714 |
+
A "HO3'" H N N 30
|
| 715 |
+
A "H2'" H N N 31
|
| 716 |
+
A "HO2'" H N N 32
|
| 717 |
+
A "H1'" H N N 33
|
| 718 |
+
A H8 H N N 34
|
| 719 |
+
A H61 H N N 35
|
| 720 |
+
A H62 H N N 36
|
| 721 |
+
A H2 H N N 37
|
| 722 |
+
C OP3 O N N 38
|
| 723 |
+
C P P N N 39
|
| 724 |
+
C OP1 O N N 40
|
| 725 |
+
C OP2 O N N 41
|
| 726 |
+
C "O5'" O N N 42
|
| 727 |
+
C "C5'" C N N 43
|
| 728 |
+
C "C4'" C N R 44
|
| 729 |
+
C "O4'" O N N 45
|
| 730 |
+
C "C3'" C N S 46
|
| 731 |
+
C "O3'" O N N 47
|
| 732 |
+
C "C2'" C N R 48
|
| 733 |
+
C "O2'" O N N 49
|
| 734 |
+
C "C1'" C N R 50
|
| 735 |
+
C N1 N N N 51
|
| 736 |
+
C C2 C N N 52
|
| 737 |
+
C O2 O N N 53
|
| 738 |
+
C N3 N N N 54
|
| 739 |
+
C C4 C N N 55
|
| 740 |
+
C N4 N N N 56
|
| 741 |
+
C C5 C N N 57
|
| 742 |
+
C C6 C N N 58
|
| 743 |
+
C HOP3 H N N 59
|
| 744 |
+
C HOP2 H N N 60
|
| 745 |
+
C "H5'" H N N 61
|
| 746 |
+
C "H5''" H N N 62
|
| 747 |
+
C "H4'" H N N 63
|
| 748 |
+
C "H3'" H N N 64
|
| 749 |
+
C "HO3'" H N N 65
|
| 750 |
+
C "H2'" H N N 66
|
| 751 |
+
C "HO2'" H N N 67
|
| 752 |
+
C "H1'" H N N 68
|
| 753 |
+
C H41 H N N 69
|
| 754 |
+
C H42 H N N 70
|
| 755 |
+
C H5 H N N 71
|
| 756 |
+
C H6 H N N 72
|
| 757 |
+
G OP3 O N N 73
|
| 758 |
+
G P P N N 74
|
| 759 |
+
G OP1 O N N 75
|
| 760 |
+
G OP2 O N N 76
|
| 761 |
+
G "O5'" O N N 77
|
| 762 |
+
G "C5'" C N N 78
|
| 763 |
+
G "C4'" C N R 79
|
| 764 |
+
G "O4'" O N N 80
|
| 765 |
+
G "C3'" C N S 81
|
| 766 |
+
G "O3'" O N N 82
|
| 767 |
+
G "C2'" C N R 83
|
| 768 |
+
G "O2'" O N N 84
|
| 769 |
+
G "C1'" C N R 85
|
| 770 |
+
G N9 N Y N 86
|
| 771 |
+
G C8 C Y N 87
|
| 772 |
+
G N7 N Y N 88
|
| 773 |
+
G C5 C Y N 89
|
| 774 |
+
G C6 C N N 90
|
| 775 |
+
G O6 O N N 91
|
| 776 |
+
G N1 N N N 92
|
| 777 |
+
G C2 C N N 93
|
| 778 |
+
G N2 N N N 94
|
| 779 |
+
G N3 N N N 95
|
| 780 |
+
G C4 C Y N 96
|
| 781 |
+
G HOP3 H N N 97
|
| 782 |
+
G HOP2 H N N 98
|
| 783 |
+
G "H5'" H N N 99
|
| 784 |
+
G "H5''" H N N 100
|
| 785 |
+
G "H4'" H N N 101
|
| 786 |
+
G "H3'" H N N 102
|
| 787 |
+
G "HO3'" H N N 103
|
| 788 |
+
G "H2'" H N N 104
|
| 789 |
+
G "HO2'" H N N 105
|
| 790 |
+
G "H1'" H N N 106
|
| 791 |
+
G H8 H N N 107
|
| 792 |
+
G H1 H N N 108
|
| 793 |
+
G H21 H N N 109
|
| 794 |
+
G H22 H N N 110
|
| 795 |
+
HOH O O N N 111
|
| 796 |
+
HOH H1 H N N 112
|
| 797 |
+
HOH H2 H N N 113
|
| 798 |
+
U OP3 O N N 114
|
| 799 |
+
U P P N N 115
|
| 800 |
+
U OP1 O N N 116
|
| 801 |
+
U OP2 O N N 117
|
| 802 |
+
U "O5'" O N N 118
|
| 803 |
+
U "C5'" C N N 119
|
| 804 |
+
U "C4'" C N R 120
|
| 805 |
+
U "O4'" O N N 121
|
| 806 |
+
U "C3'" C N S 122
|
| 807 |
+
U "O3'" O N N 123
|
| 808 |
+
U "C2'" C N R 124
|
| 809 |
+
U "O2'" O N N 125
|
| 810 |
+
U "C1'" C N R 126
|
| 811 |
+
U N1 N N N 127
|
| 812 |
+
U C2 C N N 128
|
| 813 |
+
U O2 O N N 129
|
| 814 |
+
U N3 N N N 130
|
| 815 |
+
U C4 C N N 131
|
| 816 |
+
U O4 O N N 132
|
| 817 |
+
U C5 C N N 133
|
| 818 |
+
U C6 C N N 134
|
| 819 |
+
U HOP3 H N N 135
|
| 820 |
+
U HOP2 H N N 136
|
| 821 |
+
U "H5'" H N N 137
|
| 822 |
+
U "H5''" H N N 138
|
| 823 |
+
U "H4'" H N N 139
|
| 824 |
+
U "H3'" H N N 140
|
| 825 |
+
U "HO3'" H N N 141
|
| 826 |
+
U "H2'" H N N 142
|
| 827 |
+
U "HO2'" H N N 143
|
| 828 |
+
U "H1'" H N N 144
|
| 829 |
+
U H3 H N N 145
|
| 830 |
+
U H5 H N N 146
|
| 831 |
+
U H6 H N N 147
|
| 832 |
+
#
|
| 833 |
+
loop_
|
| 834 |
+
_chem_comp_bond.comp_id
|
| 835 |
+
_chem_comp_bond.atom_id_1
|
| 836 |
+
_chem_comp_bond.atom_id_2
|
| 837 |
+
_chem_comp_bond.value_order
|
| 838 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 839 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 840 |
+
_chem_comp_bond.pdbx_ordinal
|
| 841 |
+
A OP3 P sing N N 1
|
| 842 |
+
A OP3 HOP3 sing N N 2
|
| 843 |
+
A P OP1 doub N N 3
|
| 844 |
+
A P OP2 sing N N 4
|
| 845 |
+
A P "O5'" sing N N 5
|
| 846 |
+
A OP2 HOP2 sing N N 6
|
| 847 |
+
A "O5'" "C5'" sing N N 7
|
| 848 |
+
A "C5'" "C4'" sing N N 8
|
| 849 |
+
A "C5'" "H5'" sing N N 9
|
| 850 |
+
A "C5'" "H5''" sing N N 10
|
| 851 |
+
A "C4'" "O4'" sing N N 11
|
| 852 |
+
A "C4'" "C3'" sing N N 12
|
| 853 |
+
A "C4'" "H4'" sing N N 13
|
| 854 |
+
A "O4'" "C1'" sing N N 14
|
| 855 |
+
A "C3'" "O3'" sing N N 15
|
| 856 |
+
A "C3'" "C2'" sing N N 16
|
| 857 |
+
A "C3'" "H3'" sing N N 17
|
| 858 |
+
A "O3'" "HO3'" sing N N 18
|
| 859 |
+
A "C2'" "O2'" sing N N 19
|
| 860 |
+
A "C2'" "C1'" sing N N 20
|
| 861 |
+
A "C2'" "H2'" sing N N 21
|
| 862 |
+
A "O2'" "HO2'" sing N N 22
|
| 863 |
+
A "C1'" N9 sing N N 23
|
| 864 |
+
A "C1'" "H1'" sing N N 24
|
| 865 |
+
A N9 C8 sing Y N 25
|
| 866 |
+
A N9 C4 sing Y N 26
|
| 867 |
+
A C8 N7 doub Y N 27
|
| 868 |
+
A C8 H8 sing N N 28
|
| 869 |
+
A N7 C5 sing Y N 29
|
| 870 |
+
A C5 C6 sing Y N 30
|
| 871 |
+
A C5 C4 doub Y N 31
|
| 872 |
+
A C6 N6 sing N N 32
|
| 873 |
+
A C6 N1 doub Y N 33
|
| 874 |
+
A N6 H61 sing N N 34
|
| 875 |
+
A N6 H62 sing N N 35
|
| 876 |
+
A N1 C2 sing Y N 36
|
| 877 |
+
A C2 N3 doub Y N 37
|
| 878 |
+
A C2 H2 sing N N 38
|
| 879 |
+
A N3 C4 sing Y N 39
|
| 880 |
+
C OP3 P sing N N 40
|
| 881 |
+
C OP3 HOP3 sing N N 41
|
| 882 |
+
C P OP1 doub N N 42
|
| 883 |
+
C P OP2 sing N N 43
|
| 884 |
+
C P "O5'" sing N N 44
|
| 885 |
+
C OP2 HOP2 sing N N 45
|
| 886 |
+
C "O5'" "C5'" sing N N 46
|
| 887 |
+
C "C5'" "C4'" sing N N 47
|
| 888 |
+
C "C5'" "H5'" sing N N 48
|
| 889 |
+
C "C5'" "H5''" sing N N 49
|
| 890 |
+
C "C4'" "O4'" sing N N 50
|
| 891 |
+
C "C4'" "C3'" sing N N 51
|
| 892 |
+
C "C4'" "H4'" sing N N 52
|
| 893 |
+
C "O4'" "C1'" sing N N 53
|
| 894 |
+
C "C3'" "O3'" sing N N 54
|
| 895 |
+
C "C3'" "C2'" sing N N 55
|
| 896 |
+
C "C3'" "H3'" sing N N 56
|
| 897 |
+
C "O3'" "HO3'" sing N N 57
|
| 898 |
+
C "C2'" "O2'" sing N N 58
|
| 899 |
+
C "C2'" "C1'" sing N N 59
|
| 900 |
+
C "C2'" "H2'" sing N N 60
|
| 901 |
+
C "O2'" "HO2'" sing N N 61
|
| 902 |
+
C "C1'" N1 sing N N 62
|
| 903 |
+
C "C1'" "H1'" sing N N 63
|
| 904 |
+
C N1 C2 sing N N 64
|
| 905 |
+
C N1 C6 sing N N 65
|
| 906 |
+
C C2 O2 doub N N 66
|
| 907 |
+
C C2 N3 sing N N 67
|
| 908 |
+
C N3 C4 doub N N 68
|
| 909 |
+
C C4 N4 sing N N 69
|
| 910 |
+
C C4 C5 sing N N 70
|
| 911 |
+
C N4 H41 sing N N 71
|
| 912 |
+
C N4 H42 sing N N 72
|
| 913 |
+
C C5 C6 doub N N 73
|
| 914 |
+
C C5 H5 sing N N 74
|
| 915 |
+
C C6 H6 sing N N 75
|
| 916 |
+
G OP3 P sing N N 76
|
| 917 |
+
G OP3 HOP3 sing N N 77
|
| 918 |
+
G P OP1 doub N N 78
|
| 919 |
+
G P OP2 sing N N 79
|
| 920 |
+
G P "O5'" sing N N 80
|
| 921 |
+
G OP2 HOP2 sing N N 81
|
| 922 |
+
G "O5'" "C5'" sing N N 82
|
| 923 |
+
G "C5'" "C4'" sing N N 83
|
| 924 |
+
G "C5'" "H5'" sing N N 84
|
| 925 |
+
G "C5'" "H5''" sing N N 85
|
| 926 |
+
G "C4'" "O4'" sing N N 86
|
| 927 |
+
G "C4'" "C3'" sing N N 87
|
| 928 |
+
G "C4'" "H4'" sing N N 88
|
| 929 |
+
G "O4'" "C1'" sing N N 89
|
| 930 |
+
G "C3'" "O3'" sing N N 90
|
| 931 |
+
G "C3'" "C2'" sing N N 91
|
| 932 |
+
G "C3'" "H3'" sing N N 92
|
| 933 |
+
G "O3'" "HO3'" sing N N 93
|
| 934 |
+
G "C2'" "O2'" sing N N 94
|
| 935 |
+
G "C2'" "C1'" sing N N 95
|
| 936 |
+
G "C2'" "H2'" sing N N 96
|
| 937 |
+
G "O2'" "HO2'" sing N N 97
|
| 938 |
+
G "C1'" N9 sing N N 98
|
| 939 |
+
G "C1'" "H1'" sing N N 99
|
| 940 |
+
G N9 C8 sing Y N 100
|
| 941 |
+
G N9 C4 sing Y N 101
|
| 942 |
+
G C8 N7 doub Y N 102
|
| 943 |
+
G C8 H8 sing N N 103
|
| 944 |
+
G N7 C5 sing Y N 104
|
| 945 |
+
G C5 C6 sing N N 105
|
| 946 |
+
G C5 C4 doub Y N 106
|
| 947 |
+
G C6 O6 doub N N 107
|
| 948 |
+
G C6 N1 sing N N 108
|
| 949 |
+
G N1 C2 sing N N 109
|
| 950 |
+
G N1 H1 sing N N 110
|
| 951 |
+
G C2 N2 sing N N 111
|
| 952 |
+
G C2 N3 doub N N 112
|
| 953 |
+
G N2 H21 sing N N 113
|
| 954 |
+
G N2 H22 sing N N 114
|
| 955 |
+
G N3 C4 sing N N 115
|
| 956 |
+
HOH O H1 sing N N 116
|
| 957 |
+
HOH O H2 sing N N 117
|
| 958 |
+
U OP3 P sing N N 118
|
| 959 |
+
U OP3 HOP3 sing N N 119
|
| 960 |
+
U P OP1 doub N N 120
|
| 961 |
+
U P OP2 sing N N 121
|
| 962 |
+
U P "O5'" sing N N 122
|
| 963 |
+
U OP2 HOP2 sing N N 123
|
| 964 |
+
U "O5'" "C5'" sing N N 124
|
| 965 |
+
U "C5'" "C4'" sing N N 125
|
| 966 |
+
U "C5'" "H5'" sing N N 126
|
| 967 |
+
U "C5'" "H5''" sing N N 127
|
| 968 |
+
U "C4'" "O4'" sing N N 128
|
| 969 |
+
U "C4'" "C3'" sing N N 129
|
| 970 |
+
U "C4'" "H4'" sing N N 130
|
| 971 |
+
U "O4'" "C1'" sing N N 131
|
| 972 |
+
U "C3'" "O3'" sing N N 132
|
| 973 |
+
U "C3'" "C2'" sing N N 133
|
| 974 |
+
U "C3'" "H3'" sing N N 134
|
| 975 |
+
U "O3'" "HO3'" sing N N 135
|
| 976 |
+
U "C2'" "O2'" sing N N 136
|
| 977 |
+
U "C2'" "C1'" sing N N 137
|
| 978 |
+
U "C2'" "H2'" sing N N 138
|
| 979 |
+
U "O2'" "HO2'" sing N N 139
|
| 980 |
+
U "C1'" N1 sing N N 140
|
| 981 |
+
U "C1'" "H1'" sing N N 141
|
| 982 |
+
U N1 C2 sing N N 142
|
| 983 |
+
U N1 C6 sing N N 143
|
| 984 |
+
U C2 O2 doub N N 144
|
| 985 |
+
U C2 N3 sing N N 145
|
| 986 |
+
U N3 C4 sing N N 146
|
| 987 |
+
U N3 H3 sing N N 147
|
| 988 |
+
U C4 O4 doub N N 148
|
| 989 |
+
U C4 C5 sing N N 149
|
| 990 |
+
U C5 C6 doub N N 150
|
| 991 |
+
U C5 H5 sing N N 151
|
| 992 |
+
U C6 H6 sing N N 152
|
| 993 |
+
#
|
| 994 |
+
loop_
|
| 995 |
+
_ndb_struct_conf_na.entry_id
|
| 996 |
+
_ndb_struct_conf_na.feature
|
| 997 |
+
387D 'double helix'
|
| 998 |
+
387D 'hairpin loop'
|
| 999 |
+
387D 'mismatched base pair'
|
| 1000 |
+
#
|
| 1001 |
+
loop_
|
| 1002 |
+
_ndb_struct_na_base_pair.model_number
|
| 1003 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1004 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1005 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1006 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1007 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1008 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1009 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1010 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1011 |
+
_ndb_struct_na_base_pair.shear
|
| 1012 |
+
_ndb_struct_na_base_pair.stretch
|
| 1013 |
+
_ndb_struct_na_base_pair.stagger
|
| 1014 |
+
_ndb_struct_na_base_pair.buckle
|
| 1015 |
+
_ndb_struct_na_base_pair.propeller
|
| 1016 |
+
_ndb_struct_na_base_pair.opening
|
| 1017 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1018 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1019 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1020 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1021 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1022 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1023 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1024 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1025 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1026 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1027 |
+
1 A U 1 1_555 A A 18 1_555 -0.481 0.090 1.105 -0.358 -5.449 14.074 1 A_U1:A18_A A 1 ? A 18 ? ? ?
|
| 1028 |
+
1 A C 2 1_555 A G 15 1_555 0.361 -0.492 0.607 -7.221 -25.282 -1.335 2 A_C2:G15_A A 2 ? A 15 ? 19 1
|
| 1029 |
+
1 A C 3 1_555 A G 14 1_555 -0.074 -0.276 0.848 -34.730 1.885 -3.427 3 A_C3:G14_A A 3 ? A 14 ? 19 1
|
| 1030 |
+
1 A G 4 1_555 A C 13 1_555 0.088 -0.206 0.656 18.089 -4.598 -3.478 4 A_G4:C13_A A 4 ? A 13 ? 19 1
|
| 1031 |
+
1 A A 5 1_555 A A 12 1_555 1.976 0.901 0.338 -15.670 29.727 -173.849 5 A_A5:A12_A A 5 ? A 12 ? ? ?
|
| 1032 |
+
#
|
| 1033 |
+
loop_
|
| 1034 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1035 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1036 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1037 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1038 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1039 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1040 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1041 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1042 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1043 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1044 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1045 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1046 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1047 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1048 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1049 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1050 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1051 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1052 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1053 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1054 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1055 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1056 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1057 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1058 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1059 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1060 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1061 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1062 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1063 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1064 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1065 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1066 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1067 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1068 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1069 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1070 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1071 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1072 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1073 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1074 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1075 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1076 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1077 |
+
1 A U 1 1_555 A A 18 1_555 A C 2 1_555 A G 15 1_555 0.952 -1.509 2.947 4.803 3.993 55.940 -1.803 -0.765 2.908 4.242
|
| 1078 |
+
-5.102 56.260 1 AA_U1C2:G15A18_AA A 1 ? A 18 ? A 2 ? A 15 ?
|
| 1079 |
+
1 A C 2 1_555 A G 15 1_555 A C 3 1_555 A G 14 1_555 0.769 -0.765 3.865 1.490 8.774 41.308 -2.111 -0.890 3.660 12.266
|
| 1080 |
+
-2.083 42.214 2 AA_C2C3:G14G15_AA A 2 ? A 15 ? A 3 ? A 14 ?
|
| 1081 |
+
1 A C 3 1_555 A G 14 1_555 A G 4 1_555 A C 13 1_555 -1.316 -1.218 1.786 -0.369 0.341 23.813 -3.012 3.123 1.789 0.826 0.895
|
| 1082 |
+
23.818 3 AA_C3G4:C13G14_AA A 3 ? A 14 ? A 4 ? A 13 ?
|
| 1083 |
+
1 A G 4 1_555 A C 13 1_555 A A 5 1_555 A A 12 1_555 3.343 -0.926 0.351 -88.931 -144.899 -133.633 0.555 1.616 0.699 72.792
|
| 1084 |
+
-44.675 -176.073 4 AA_G4A5:A12C13_AA A 4 ? A 13 ? A 5 ? A 12 ?
|
| 1085 |
+
#
|
| 1086 |
+
_atom_sites.entry_id 387D
|
| 1087 |
+
_atom_sites.fract_transf_matrix[1][1] 0.016234
|
| 1088 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1089 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1090 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1091 |
+
_atom_sites.fract_transf_matrix[2][2] 0.016234
|
| 1092 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1093 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1094 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1095 |
+
_atom_sites.fract_transf_matrix[3][3] 0.010111
|
| 1096 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1097 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1098 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1099 |
+
#
|
| 1100 |
+
loop_
|
| 1101 |
+
_atom_type.symbol
|
| 1102 |
+
C
|
| 1103 |
+
N
|
| 1104 |
+
O
|
| 1105 |
+
P
|
| 1106 |
+
#
|
| 1107 |
+
loop_
|
| 1108 |
+
_atom_site.group_PDB
|
| 1109 |
+
_atom_site.id
|
| 1110 |
+
_atom_site.type_symbol
|
| 1111 |
+
_atom_site.label_atom_id
|
| 1112 |
+
_atom_site.label_alt_id
|
| 1113 |
+
_atom_site.label_comp_id
|
| 1114 |
+
_atom_site.label_asym_id
|
| 1115 |
+
_atom_site.label_entity_id
|
| 1116 |
+
_atom_site.label_seq_id
|
| 1117 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1118 |
+
_atom_site.Cartn_x
|
| 1119 |
+
_atom_site.Cartn_y
|
| 1120 |
+
_atom_site.Cartn_z
|
| 1121 |
+
_atom_site.occupancy
|
| 1122 |
+
_atom_site.B_iso_or_equiv
|
| 1123 |
+
_atom_site.pdbx_formal_charge
|
| 1124 |
+
_atom_site.auth_seq_id
|
| 1125 |
+
_atom_site.auth_comp_id
|
| 1126 |
+
_atom_site.auth_asym_id
|
| 1127 |
+
_atom_site.auth_atom_id
|
| 1128 |
+
_atom_site.pdbx_PDB_model_num
|
| 1129 |
+
ATOM 1 O "O5'" . U A 1 1 ? 42.484 37.760 79.717 1.00 35.50 ? 1 U A "O5'" 1
|
| 1130 |
+
ATOM 2 C "C5'" . U A 1 1 ? 43.047 36.558 80.259 1.00 29.91 ? 1 U A "C5'" 1
|
| 1131 |
+
ATOM 3 C "C4'" . U A 1 1 ? 44.149 36.067 79.351 1.00 30.98 ? 1 U A "C4'" 1
|
| 1132 |
+
ATOM 4 O "O4'" . U A 1 1 ? 43.851 34.703 78.982 1.00 31.82 ? 1 U A "O4'" 1
|
| 1133 |
+
ATOM 5 C "C3'" . U A 1 1 ? 44.293 36.827 78.036 1.00 25.41 ? 1 U A "C3'" 1
|
| 1134 |
+
ATOM 6 O "O3'" . U A 1 1 ? 45.277 37.840 78.097 1.00 29.68 ? 1 U A "O3'" 1
|
| 1135 |
+
ATOM 7 C "C2'" . U A 1 1 ? 44.741 35.754 77.073 1.00 28.37 ? 1 U A "C2'" 1
|
| 1136 |
+
ATOM 8 O "O2'" . U A 1 1 ? 46.131 35.503 77.159 1.00 32.84 ? 1 U A "O2'" 1
|
| 1137 |
+
ATOM 9 C "C1'" . U A 1 1 ? 43.940 34.565 77.585 1.00 26.42 ? 1 U A "C1'" 1
|
| 1138 |
+
ATOM 10 N N1 . U A 1 1 ? 42.574 34.645 77.073 1.00 25.99 ? 1 U A N1 1
|
| 1139 |
+
ATOM 11 C C2 . U A 1 1 ? 42.412 34.577 75.733 1.00 28.84 ? 1 U A C2 1
|
| 1140 |
+
ATOM 12 O O2 . U A 1 1 ? 43.347 34.486 74.980 1.00 44.35 ? 1 U A O2 1
|
| 1141 |
+
ATOM 13 N N3 . U A 1 1 ? 41.118 34.614 75.299 1.00 27.88 ? 1 U A N3 1
|
| 1142 |
+
ATOM 14 C C4 . U A 1 1 ? 39.998 34.728 76.075 1.00 32.10 ? 1 U A C4 1
|
| 1143 |
+
ATOM 15 O O4 . U A 1 1 ? 38.883 34.726 75.545 1.00 35.42 ? 1 U A O4 1
|
| 1144 |
+
ATOM 16 C C5 . U A 1 1 ? 40.259 34.820 77.468 1.00 33.25 ? 1 U A C5 1
|
| 1145 |
+
ATOM 17 C C6 . U A 1 1 ? 41.507 34.778 77.907 1.00 30.73 ? 1 U A C6 1
|
| 1146 |
+
ATOM 18 P P . C A 1 2 ? 45.096 39.159 77.200 1.00 43.76 ? 2 C A P 1
|
| 1147 |
+
ATOM 19 O OP1 . C A 1 2 ? 46.397 39.916 77.210 1.00 31.22 ? 2 C A OP1 1
|
| 1148 |
+
ATOM 20 O OP2 . C A 1 2 ? 43.812 39.847 77.629 1.00 28.72 ? 2 C A OP2 1
|
| 1149 |
+
ATOM 21 O "O5'" . C A 1 2 ? 44.916 38.574 75.727 1.00 47.96 ? 2 C A "O5'" 1
|
| 1150 |
+
ATOM 22 C "C5'" . C A 1 2 ? 46.053 38.051 75.003 1.00 44.14 ? 2 C A "C5'" 1
|
| 1151 |
+
ATOM 23 C "C4'" . C A 1 2 ? 45.674 37.746 73.577 1.00 34.22 ? 2 C A "C4'" 1
|
| 1152 |
+
ATOM 24 O "O4'" . C A 1 2 ? 44.719 36.671 73.559 1.00 39.01 ? 2 C A "O4'" 1
|
| 1153 |
+
ATOM 25 C "C3'" . C A 1 2 ? 44.981 38.875 72.862 1.00 28.14 ? 2 C A "C3'" 1
|
| 1154 |
+
ATOM 26 O "O3'" . C A 1 2 ? 45.957 39.707 72.318 1.00 27.20 ? 2 C A "O3'" 1
|
| 1155 |
+
ATOM 27 C "C2'" . C A 1 2 ? 44.148 38.163 71.809 1.00 29.16 ? 2 C A "C2'" 1
|
| 1156 |
+
ATOM 28 O "O2'" . C A 1 2 ? 44.868 37.752 70.673 1.00 31.54 ? 2 C A "O2'" 1
|
| 1157 |
+
ATOM 29 C "C1'" . C A 1 2 ? 43.768 36.890 72.545 1.00 30.60 ? 2 C A "C1'" 1
|
| 1158 |
+
ATOM 30 N N1 . C A 1 2 ? 42.476 37.043 73.176 1.00 26.98 ? 2 C A N1 1
|
| 1159 |
+
ATOM 31 C C2 . C A 1 2 ? 41.367 36.867 72.405 1.00 32.50 ? 2 C A C2 1
|
| 1160 |
+
ATOM 32 O O2 . C A 1 2 ? 41.532 36.480 71.237 1.00 49.26 ? 2 C A O2 1
|
| 1161 |
+
ATOM 33 N N3 . C A 1 2 ? 40.143 37.102 72.932 1.00 23.55 ? 2 C A N3 1
|
| 1162 |
+
ATOM 34 C C4 . C A 1 2 ? 40.037 37.472 74.205 1.00 25.19 ? 2 C A C4 1
|
| 1163 |
+
ATOM 35 N N4 . C A 1 2 ? 38.833 37.740 74.688 1.00 27.61 ? 2 C A N4 1
|
| 1164 |
+
ATOM 36 C C5 . C A 1 2 ? 41.172 37.595 75.044 1.00 34.98 ? 2 C A C5 1
|
| 1165 |
+
ATOM 37 C C6 . C A 1 2 ? 42.365 37.378 74.491 1.00 32.02 ? 2 C A C6 1
|
| 1166 |
+
ATOM 38 P P . C A 1 3 ? 45.615 41.247 72.094 1.00 29.33 ? 3 C A P 1
|
| 1167 |
+
ATOM 39 O OP1 . C A 1 3 ? 46.896 41.764 71.567 1.00 18.17 ? 3 C A OP1 1
|
| 1168 |
+
ATOM 40 O OP2 . C A 1 3 ? 45.016 41.853 73.311 1.00 28.74 ? 3 C A OP2 1
|
| 1169 |
+
ATOM 41 O "O5'" . C A 1 3 ? 44.464 41.201 70.982 1.00 29.64 ? 3 C A "O5'" 1
|
| 1170 |
+
ATOM 42 C "C5'" . C A 1 3 ? 44.770 40.723 69.660 1.00 28.20 ? 3 C A "C5'" 1
|
| 1171 |
+
ATOM 43 C "C4'" . C A 1 3 ? 43.535 40.633 68.807 1.00 21.20 ? 3 C A "C4'" 1
|
| 1172 |
+
ATOM 44 O "O4'" . C A 1 3 ? 42.645 39.625 69.308 1.00 21.91 ? 3 C A "O4'" 1
|
| 1173 |
+
ATOM 45 C "C3'" . C A 1 3 ? 42.720 41.892 68.753 1.00 19.37 ? 3 C A "C3'" 1
|
| 1174 |
+
ATOM 46 O "O3'" . C A 1 3 ? 43.220 42.693 67.740 1.00 23.80 ? 3 C A "O3'" 1
|
| 1175 |
+
ATOM 47 C "C2'" . C A 1 3 ? 41.324 41.396 68.434 1.00 22.76 ? 3 C A "C2'" 1
|
| 1176 |
+
ATOM 48 O "O2'" . C A 1 3 ? 41.072 41.150 67.082 1.00 22.09 ? 3 C A "O2'" 1
|
| 1177 |
+
ATOM 49 C "C1'" . C A 1 3 ? 41.316 40.058 69.149 1.00 26.99 ? 3 C A "C1'" 1
|
| 1178 |
+
ATOM 50 N N1 . C A 1 3 ? 40.775 40.231 70.478 1.00 36.47 ? 3 C A N1 1
|
| 1179 |
+
ATOM 51 C C2 . C A 1 3 ? 39.410 40.476 70.615 1.00 40.01 ? 3 C A C2 1
|
| 1180 |
+
ATOM 52 O O2 . C A 1 3 ? 38.721 40.605 69.588 1.00 44.10 ? 3 C A O2 1
|
| 1181 |
+
ATOM 53 N N3 . C A 1 3 ? 38.885 40.570 71.846 1.00 38.37 ? 3 C A N3 1
|
| 1182 |
+
ATOM 54 C C4 . C A 1 3 ? 39.678 40.435 72.910 1.00 38.69 ? 3 C A C4 1
|
| 1183 |
+
ATOM 55 N N4 . C A 1 3 ? 39.125 40.493 74.109 1.00 39.43 ? 3 C A N4 1
|
| 1184 |
+
ATOM 56 C C5 . C A 1 3 ? 41.085 40.222 72.790 1.00 41.25 ? 3 C A C5 1
|
| 1185 |
+
ATOM 57 C C6 . C A 1 3 ? 41.587 40.134 71.568 1.00 33.15 ? 3 C A C6 1
|
| 1186 |
+
ATOM 58 P P . G A 1 4 ? 42.967 44.250 67.819 1.00 32.73 ? 4 G A P 1
|
| 1187 |
+
ATOM 59 O OP1 . G A 1 4 ? 43.890 44.908 66.855 1.00 36.45 ? 4 G A OP1 1
|
| 1188 |
+
ATOM 60 O OP2 . G A 1 4 ? 43.062 44.584 69.263 1.00 38.25 ? 4 G A OP2 1
|
| 1189 |
+
ATOM 61 O "O5'" . G A 1 4 ? 41.450 44.363 67.341 1.00 21.56 ? 4 G A "O5'" 1
|
| 1190 |
+
ATOM 62 C "C5'" . G A 1 4 ? 41.007 43.638 66.194 1.00 13.09 ? 4 G A "C5'" 1
|
| 1191 |
+
ATOM 63 C "C4'" . G A 1 4 ? 39.524 43.827 65.983 1.00 10.49 ? 4 G A "C4'" 1
|
| 1192 |
+
ATOM 64 O "O4'" . G A 1 4 ? 38.755 42.933 66.803 1.00 6.17 ? 4 G A "O4'" 1
|
| 1193 |
+
ATOM 65 C "C3'" . G A 1 4 ? 38.988 45.217 66.245 1.00 8.11 ? 4 G A "C3'" 1
|
| 1194 |
+
ATOM 66 O "O3'" . G A 1 4 ? 39.128 45.894 65.035 1.00 16.32 ? 4 G A "O3'" 1
|
| 1195 |
+
ATOM 67 C "C2'" . G A 1 4 ? 37.517 44.963 66.556 1.00 17.12 ? 4 G A "C2'" 1
|
| 1196 |
+
ATOM 68 O "O2'" . G A 1 4 ? 36.667 44.893 65.421 1.00 18.89 ? 4 G A "O2'" 1
|
| 1197 |
+
ATOM 69 C "C1'" . G A 1 4 ? 37.568 43.584 67.212 1.00 16.26 ? 4 G A "C1'" 1
|
| 1198 |
+
ATOM 70 N N9 . G A 1 4 ? 37.591 43.602 68.664 1.00 20.43 ? 4 G A N9 1
|
| 1199 |
+
ATOM 71 C C8 . G A 1 4 ? 38.670 43.863 69.464 1.00 20.03 ? 4 G A C8 1
|
| 1200 |
+
ATOM 72 N N7 . G A 1 4 ? 38.432 43.645 70.721 1.00 23.81 ? 4 G A N7 1
|
| 1201 |
+
ATOM 73 C C5 . G A 1 4 ? 37.105 43.252 70.750 1.00 26.54 ? 4 G A C5 1
|
| 1202 |
+
ATOM 74 C C6 . G A 1 4 ? 36.292 42.851 71.838 1.00 34.79 ? 4 G A C6 1
|
| 1203 |
+
ATOM 75 O O6 . G A 1 4 ? 36.601 42.754 73.035 1.00 37.07 ? 4 G A O6 1
|
| 1204 |
+
ATOM 76 N N1 . G A 1 4 ? 35.003 42.542 71.421 1.00 31.51 ? 4 G A N1 1
|
| 1205 |
+
ATOM 77 C C2 . G A 1 4 ? 34.569 42.610 70.124 1.00 29.69 ? 4 G A C2 1
|
| 1206 |
+
ATOM 78 N N2 . G A 1 4 ? 33.303 42.288 69.915 1.00 36.23 ? 4 G A N2 1
|
| 1207 |
+
ATOM 79 N N3 . G A 1 4 ? 35.320 42.971 69.106 1.00 20.11 ? 4 G A N3 1
|
| 1208 |
+
ATOM 80 C C4 . G A 1 4 ? 36.565 43.271 69.489 1.00 18.39 ? 4 G A C4 1
|
| 1209 |
+
ATOM 81 P P . A A 1 5 ? 38.865 47.457 64.960 1.00 24.48 ? 5 A A P 1
|
| 1210 |
+
ATOM 82 O OP1 . A A 1 5 ? 37.372 47.659 65.020 1.00 12.98 ? 5 A A OP1 1
|
| 1211 |
+
ATOM 83 O OP2 . A A 1 5 ? 39.601 47.964 63.789 1.00 34.57 ? 5 A A OP2 1
|
| 1212 |
+
ATOM 84 O "O5'" . A A 1 5 ? 39.684 47.997 66.207 1.00 23.35 ? 5 A A "O5'" 1
|
| 1213 |
+
ATOM 85 C "C5'" . A A 1 5 ? 40.383 49.260 66.115 1.00 26.90 ? 5 A A "C5'" 1
|
| 1214 |
+
ATOM 86 C "C4'" . A A 1 5 ? 40.844 49.678 67.475 1.00 22.16 ? 5 A A "C4'" 1
|
| 1215 |
+
ATOM 87 O "O4'" . A A 1 5 ? 39.674 49.744 68.336 1.00 23.68 ? 5 A A "O4'" 1
|
| 1216 |
+
ATOM 88 C "C3'" . A A 1 5 ? 41.757 48.620 68.049 1.00 18.27 ? 5 A A "C3'" 1
|
| 1217 |
+
ATOM 89 O "O3'" . A A 1 5 ? 42.573 49.230 69.010 1.00 24.25 ? 5 A A "O3'" 1
|
| 1218 |
+
ATOM 90 C "C2'" . A A 1 5 ? 40.800 47.727 68.805 1.00 27.71 ? 5 A A "C2'" 1
|
| 1219 |
+
ATOM 91 O "O2'" . A A 1 5 ? 41.500 47.106 69.862 1.00 39.25 ? 5 A A "O2'" 1
|
| 1220 |
+
ATOM 92 C "C1'" . A A 1 5 ? 39.767 48.742 69.317 1.00 27.41 ? 5 A A "C1'" 1
|
| 1221 |
+
ATOM 93 N N9 . A A 1 5 ? 38.452 48.143 69.481 1.00 21.46 ? 5 A A N9 1
|
| 1222 |
+
ATOM 94 C C8 . A A 1 5 ? 37.483 48.020 68.545 1.00 27.37 ? 5 A A C8 1
|
| 1223 |
+
ATOM 95 N N7 . A A 1 5 ? 36.461 47.297 68.931 1.00 34.03 ? 5 A A N7 1
|
| 1224 |
+
ATOM 96 C C5 . A A 1 5 ? 36.773 46.948 70.230 1.00 29.77 ? 5 A A C5 1
|
| 1225 |
+
ATOM 97 C C6 . A A 1 5 ? 36.108 46.158 71.187 1.00 26.09 ? 5 A A C6 1
|
| 1226 |
+
ATOM 98 N N6 . A A 1 5 ? 34.990 45.481 70.953 1.00 20.80 ? 5 A A N6 1
|
| 1227 |
+
ATOM 99 N N1 . A A 1 5 ? 36.664 46.062 72.406 1.00 28.10 ? 5 A A N1 1
|
| 1228 |
+
ATOM 100 C C2 . A A 1 5 ? 37.829 46.680 72.627 1.00 33.28 ? 5 A A C2 1
|
| 1229 |
+
ATOM 101 N N3 . A A 1 5 ? 38.569 47.413 71.797 1.00 30.52 ? 5 A A N3 1
|
| 1230 |
+
ATOM 102 C C4 . A A 1 5 ? 37.975 47.509 70.600 1.00 27.58 ? 5 A A C4 1
|
| 1231 |
+
ATOM 103 P P . A A 1 6 ? 43.933 49.903 68.570 1.00 37.00 ? 6 A A P 1
|
| 1232 |
+
ATOM 104 O OP1 . A A 1 6 ? 44.494 49.065 67.494 1.00 42.16 ? 6 A A OP1 1
|
| 1233 |
+
ATOM 105 O OP2 . A A 1 6 ? 44.737 50.189 69.782 1.00 43.78 ? 6 A A OP2 1
|
| 1234 |
+
ATOM 106 O "O5'" . A A 1 6 ? 43.466 51.264 67.928 1.00 23.59 ? 6 A A "O5'" 1
|
| 1235 |
+
ATOM 107 C "C5'" . A A 1 6 ? 43.197 52.378 68.742 1.00 19.66 ? 6 A A "C5'" 1
|
| 1236 |
+
ATOM 108 C "C4'" . A A 1 6 ? 42.095 53.149 68.128 1.00 19.57 ? 6 A A "C4'" 1
|
| 1237 |
+
ATOM 109 O "O4'" . A A 1 6 ? 40.887 52.343 68.160 1.00 27.68 ? 6 A A "O4'" 1
|
| 1238 |
+
ATOM 110 C "C3'" . A A 1 6 ? 41.776 54.462 68.789 1.00 21.61 ? 6 A A "C3'" 1
|
| 1239 |
+
ATOM 111 O "O3'" . A A 1 6 ? 41.480 55.360 67.762 1.00 25.33 ? 6 A A "O3'" 1
|
| 1240 |
+
ATOM 112 C "C2'" . A A 1 6 ? 40.514 54.164 69.585 1.00 31.03 ? 6 A A "C2'" 1
|
| 1241 |
+
ATOM 113 O "O2'" . A A 1 6 ? 39.688 55.297 69.634 1.00 41.74 ? 6 A A "O2'" 1
|
| 1242 |
+
ATOM 114 C "C1'" . A A 1 6 ? 39.835 53.076 68.753 1.00 31.91 ? 6 A A "C1'" 1
|
| 1243 |
+
ATOM 115 N N9 . A A 1 6 ? 39.059 52.166 69.597 1.00 36.40 ? 6 A A N9 1
|
| 1244 |
+
ATOM 116 C C8 . A A 1 6 ? 39.433 51.680 70.821 1.00 46.95 ? 6 A A C8 1
|
| 1245 |
+
ATOM 117 N N7 . A A 1 6 ? 38.566 50.850 71.351 1.00 45.70 ? 6 A A N7 1
|
| 1246 |
+
ATOM 118 C C5 . A A 1 6 ? 37.555 50.789 70.411 1.00 35.51 ? 6 A A C5 1
|
| 1247 |
+
ATOM 119 C C6 . A A 1 6 ? 36.356 50.083 70.383 1.00 34.30 ? 6 A A C6 1
|
| 1248 |
+
ATOM 120 N N6 . A A 1 6 ? 35.972 49.253 71.342 1.00 43.60 ? 6 A A N6 1
|
| 1249 |
+
ATOM 121 N N1 . A A 1 6 ? 35.551 50.256 69.329 1.00 26.01 ? 6 A A N1 1
|
| 1250 |
+
ATOM 122 C C2 . A A 1 6 ? 35.942 51.089 68.373 1.00 38.69 ? 6 A A C2 1
|
| 1251 |
+
ATOM 123 N N3 . A A 1 6 ? 37.060 51.812 68.278 1.00 40.48 ? 6 A A N3 1
|
| 1252 |
+
ATOM 124 C C4 . A A 1 6 ? 37.834 51.610 69.339 1.00 33.52 ? 6 A A C4 1
|
| 1253 |
+
ATOM 125 P P . G A 1 7 ? 42.596 56.386 67.291 1.00 37.06 ? 7 G A P 1
|
| 1254 |
+
ATOM 126 O OP1 . G A 1 7 ? 41.927 57.404 66.431 1.00 35.78 ? 7 G A OP1 1
|
| 1255 |
+
ATOM 127 O OP2 . G A 1 7 ? 43.759 55.637 66.769 1.00 36.15 ? 7 G A OP2 1
|
| 1256 |
+
ATOM 128 O "O5'" . G A 1 7 ? 43.037 57.040 68.664 1.00 37.43 ? 7 G A "O5'" 1
|
| 1257 |
+
ATOM 129 C "C5'" . G A 1 7 ? 44.196 57.842 68.726 1.00 37.30 ? 7 G A "C5'" 1
|
| 1258 |
+
ATOM 130 C "C4'" . G A 1 7 ? 44.403 58.343 70.126 1.00 35.96 ? 7 G A "C4'" 1
|
| 1259 |
+
ATOM 131 O "O4'" . G A 1 7 ? 43.472 59.400 70.441 1.00 37.72 ? 7 G A "O4'" 1
|
| 1260 |
+
ATOM 132 C "C3'" . G A 1 7 ? 44.176 57.337 71.222 1.00 32.37 ? 7 G A "C3'" 1
|
| 1261 |
+
ATOM 133 O "O3'" . G A 1 7 ? 45.298 56.519 71.372 1.00 34.39 ? 7 G A "O3'" 1
|
| 1262 |
+
ATOM 134 C "C2'" . G A 1 7 ? 43.952 58.216 72.450 1.00 34.40 ? 7 G A "C2'" 1
|
| 1263 |
+
ATOM 135 O "O2'" . G A 1 7 ? 45.147 58.609 73.090 1.00 38.29 ? 7 G A "O2'" 1
|
| 1264 |
+
ATOM 136 C "C1'" . G A 1 7 ? 43.301 59.452 71.838 1.00 34.44 ? 7 G A "C1'" 1
|
| 1265 |
+
ATOM 137 N N9 . G A 1 7 ? 41.885 59.555 72.156 1.00 39.88 ? 7 G A N9 1
|
| 1266 |
+
ATOM 138 C C8 . G A 1 7 ? 40.790 59.495 71.317 1.00 41.06 ? 7 G A C8 1
|
| 1267 |
+
ATOM 139 N N7 . G A 1 7 ? 39.659 59.632 71.949 1.00 39.69 ? 7 G A N7 1
|
| 1268 |
+
ATOM 140 C C5 . G A 1 7 ? 40.037 59.787 73.278 1.00 45.53 ? 7 G A C5 1
|
| 1269 |
+
ATOM 141 C C6 . G A 1 7 ? 39.262 59.971 74.435 1.00 50.23 ? 7 G A C6 1
|
| 1270 |
+
ATOM 142 O O6 . G A 1 7 ? 38.035 60.029 74.527 1.00 60.97 ? 7 G A O6 1
|
| 1271 |
+
ATOM 143 N N1 . G A 1 7 ? 40.057 60.086 75.576 1.00 46.42 ? 7 G A N1 1
|
| 1272 |
+
ATOM 144 C C2 . G A 1 7 ? 41.428 60.017 75.595 1.00 48.73 ? 7 G A C2 1
|
| 1273 |
+
ATOM 145 N N2 . G A 1 7 ? 42.037 60.131 76.799 1.00 53.88 ? 7 G A N2 1
|
| 1274 |
+
ATOM 146 N N3 . G A 1 7 ? 42.160 59.843 74.519 1.00 48.46 ? 7 G A N3 1
|
| 1275 |
+
ATOM 147 C C4 . G A 1 7 ? 41.406 59.737 73.407 1.00 44.74 ? 7 G A C4 1
|
| 1276 |
+
ATOM 148 P P . U A 1 8 ? 45.139 55.145 72.156 1.00 43.60 ? 8 U A P 1
|
| 1277 |
+
ATOM 149 O OP1 . U A 1 8 ? 46.391 54.391 71.957 1.00 54.33 ? 8 U A OP1 1
|
| 1278 |
+
ATOM 150 O OP2 . U A 1 8 ? 43.845 54.550 71.719 1.00 44.64 ? 8 U A OP2 1
|
| 1279 |
+
ATOM 151 O "O5'" . U A 1 8 ? 45.019 55.596 73.681 1.00 41.48 ? 8 U A "O5'" 1
|
| 1280 |
+
ATOM 152 C "C5'" . U A 1 8 ? 46.168 56.060 74.420 1.00 38.06 ? 8 U A "C5'" 1
|
| 1281 |
+
ATOM 153 C "C4'" . U A 1 8 ? 45.766 56.381 75.838 1.00 43.72 ? 8 U A "C4'" 1
|
| 1282 |
+
ATOM 154 O "O4'" . U A 1 8 ? 44.778 57.439 75.790 1.00 49.62 ? 8 U A "O4'" 1
|
| 1283 |
+
ATOM 155 C "C3'" . U A 1 8 ? 45.057 55.257 76.573 1.00 52.58 ? 8 U A "C3'" 1
|
| 1284 |
+
ATOM 156 O "O3'" . U A 1 8 ? 45.929 54.339 77.202 1.00 58.08 ? 8 U A "O3'" 1
|
| 1285 |
+
ATOM 157 C "C2'" . U A 1 8 ? 44.172 55.980 77.577 1.00 50.12 ? 8 U A "C2'" 1
|
| 1286 |
+
ATOM 158 O "O2'" . U A 1 8 ? 44.815 56.328 78.781 1.00 53.70 ? 8 U A "O2'" 1
|
| 1287 |
+
ATOM 159 C "C1'" . U A 1 8 ? 43.800 57.236 76.799 1.00 47.94 ? 8 U A "C1'" 1
|
| 1288 |
+
ATOM 160 N N1 . U A 1 8 ? 42.496 57.088 76.149 1.00 38.52 ? 8 U A N1 1
|
| 1289 |
+
ATOM 161 C C2 . U A 1 8 ? 41.372 57.143 76.954 1.00 32.82 ? 8 U A C2 1
|
| 1290 |
+
ATOM 162 O O2 . U A 1 8 ? 41.440 57.306 78.155 1.00 33.55 ? 8 U A O2 1
|
| 1291 |
+
ATOM 163 N N3 . U A 1 8 ? 40.173 57.005 76.295 1.00 30.68 ? 8 U A N3 1
|
| 1292 |
+
ATOM 164 C C4 . U A 1 8 ? 39.998 56.818 74.930 1.00 41.74 ? 8 U A C4 1
|
| 1293 |
+
ATOM 165 O O4 . U A 1 8 ? 38.862 56.665 74.470 1.00 41.47 ? 8 U A O4 1
|
| 1294 |
+
ATOM 166 C C5 . U A 1 8 ? 41.220 56.774 74.175 1.00 47.32 ? 8 U A C5 1
|
| 1295 |
+
ATOM 167 C C6 . U A 1 8 ? 42.394 56.904 74.796 1.00 38.76 ? 8 U A C6 1
|
| 1296 |
+
ATOM 168 P P . G A 1 9 ? 45.433 52.822 77.441 1.00 57.43 ? 9 G A P 1
|
| 1297 |
+
ATOM 169 O OP1 . G A 1 9 ? 46.653 52.175 78.003 1.00 62.23 ? 9 G A OP1 1
|
| 1298 |
+
ATOM 170 O OP2 . G A 1 9 ? 44.821 52.277 76.210 1.00 61.94 ? 9 G A OP2 1
|
| 1299 |
+
ATOM 171 O "O5'" . G A 1 9 ? 44.269 52.944 78.533 1.00 48.03 ? 9 G A "O5'" 1
|
| 1300 |
+
ATOM 172 C "C5'" . G A 1 9 ? 44.598 53.376 79.858 1.00 52.88 ? 9 G A "C5'" 1
|
| 1301 |
+
ATOM 173 C "C4'" . G A 1 9 ? 43.371 53.543 80.710 1.00 45.55 ? 9 G A "C4'" 1
|
| 1302 |
+
ATOM 174 O "O4'" . G A 1 9 ? 42.544 54.597 80.192 1.00 42.30 ? 9 G A "O4'" 1
|
| 1303 |
+
ATOM 175 C "C3'" . G A 1 9 ? 42.438 52.365 80.847 1.00 45.71 ? 9 G A "C3'" 1
|
| 1304 |
+
ATOM 176 O "O3'" . G A 1 9 ? 42.891 51.473 81.836 1.00 49.36 ? 9 G A "O3'" 1
|
| 1305 |
+
ATOM 177 C "C2'" . G A 1 9 ? 41.151 53.023 81.306 1.00 45.83 ? 9 G A "C2'" 1
|
| 1306 |
+
ATOM 178 O "O2'" . G A 1 9 ? 41.174 53.270 82.694 1.00 43.94 ? 9 G A "O2'" 1
|
| 1307 |
+
ATOM 179 C "C1'" . G A 1 9 ? 41.203 54.352 80.558 1.00 47.98 ? 9 G A "C1'" 1
|
| 1308 |
+
ATOM 180 N N9 . G A 1 9 ? 40.396 54.313 79.350 1.00 50.09 ? 9 G A N9 1
|
| 1309 |
+
ATOM 181 C C8 . G A 1 9 ? 40.828 54.093 78.069 1.00 53.50 ? 9 G A C8 1
|
| 1310 |
+
ATOM 182 N N7 . G A 1 9 ? 39.857 54.093 77.200 1.00 53.41 ? 9 G A N7 1
|
| 1311 |
+
ATOM 183 C C5 . G A 1 9 ? 38.722 54.326 77.956 1.00 49.18 ? 9 G A C5 1
|
| 1312 |
+
ATOM 184 C C6 . G A 1 9 ? 37.376 54.418 77.565 1.00 53.02 ? 9 G A C6 1
|
| 1313 |
+
ATOM 185 O O6 . G A 1 9 ? 36.893 54.276 76.433 1.00 57.79 ? 9 G A O6 1
|
| 1314 |
+
ATOM 186 N N1 . G A 1 9 ? 36.551 54.693 78.645 1.00 49.11 ? 9 G A N1 1
|
| 1315 |
+
ATOM 187 C C2 . G A 1 9 ? 36.980 54.840 79.935 1.00 53.04 ? 9 G A C2 1
|
| 1316 |
+
ATOM 188 N N2 . G A 1 9 ? 36.048 55.126 80.833 1.00 61.19 ? 9 G A N2 1
|
| 1317 |
+
ATOM 189 N N3 . G A 1 9 ? 38.232 54.723 80.317 1.00 48.59 ? 9 G A N3 1
|
| 1318 |
+
ATOM 190 C C4 . G A 1 9 ? 39.043 54.474 79.282 1.00 46.61 ? 9 G A C4 1
|
| 1319 |
+
ATOM 191 P P . C A 1 10 ? 42.574 49.914 81.675 1.00 52.65 ? 10 C A P 1
|
| 1320 |
+
ATOM 192 O OP1 . C A 1 10 ? 43.561 49.236 82.555 1.00 51.56 ? 10 C A OP1 1
|
| 1321 |
+
ATOM 193 O OP2 . C A 1 10 ? 42.563 49.629 80.209 1.00 52.67 ? 10 C A OP2 1
|
| 1322 |
+
ATOM 194 O "O5'" . C A 1 10 ? 41.098 49.741 82.259 1.00 30.32 ? 10 C A "O5'" 1
|
| 1323 |
+
ATOM 195 C "C5'" . C A 1 10 ? 40.822 50.179 83.577 1.00 26.99 ? 10 C A "C5'" 1
|
| 1324 |
+
ATOM 196 C "C4'" . C A 1 10 ? 39.369 50.511 83.737 1.00 34.16 ? 10 C A "C4'" 1
|
| 1325 |
+
ATOM 197 O "O4'" . C A 1 10 ? 38.972 51.627 82.904 1.00 44.56 ? 10 C A "O4'" 1
|
| 1326 |
+
ATOM 198 C "C3'" . C A 1 10 ? 38.407 49.432 83.339 1.00 32.31 ? 10 C A "C3'" 1
|
| 1327 |
+
ATOM 199 O "O3'" . C A 1 10 ? 38.259 48.482 84.336 1.00 43.60 ? 10 C A "O3'" 1
|
| 1328 |
+
ATOM 200 C "C2'" . C A 1 10 ? 37.108 50.185 83.190 1.00 32.56 ? 10 C A "C2'" 1
|
| 1329 |
+
ATOM 201 O "O2'" . C A 1 10 ? 36.471 50.301 84.439 1.00 31.92 ? 10 C A "O2'" 1
|
| 1330 |
+
ATOM 202 C "C1'" . C A 1 10 ? 37.581 51.527 82.630 1.00 43.43 ? 10 C A "C1'" 1
|
| 1331 |
+
ATOM 203 N N1 . C A 1 10 ? 37.382 51.491 81.176 1.00 49.56 ? 10 C A N1 1
|
| 1332 |
+
ATOM 204 C C2 . C A 1 10 ? 36.065 51.477 80.675 1.00 47.42 ? 10 C A C2 1
|
| 1333 |
+
ATOM 205 O O2 . C A 1 10 ? 35.124 51.667 81.459 1.00 42.76 ? 10 C A O2 1
|
| 1334 |
+
ATOM 206 N N3 . C A 1 10 ? 35.862 51.265 79.354 1.00 47.03 ? 10 C A N3 1
|
| 1335 |
+
ATOM 207 C C4 . C A 1 10 ? 36.908 51.095 78.547 1.00 54.16 ? 10 C A C4 1
|
| 1336 |
+
ATOM 208 N N4 . C A 1 10 ? 36.676 50.782 77.272 1.00 58.64 ? 10 C A N4 1
|
| 1337 |
+
ATOM 209 C C5 . C A 1 10 ? 38.253 51.211 79.015 1.00 57.86 ? 10 C A C5 1
|
| 1338 |
+
ATOM 210 C C6 . C A 1 10 ? 38.443 51.409 80.327 1.00 53.09 ? 10 C A C6 1
|
| 1339 |
+
ATOM 211 P P . A A 1 11 ? 38.031 46.963 83.906 1.00 61.27 ? 11 A A P 1
|
| 1340 |
+
ATOM 212 O OP1 . A A 1 11 ? 37.931 46.221 85.186 1.00 73.92 ? 11 A A OP1 1
|
| 1341 |
+
ATOM 213 O OP2 . A A 1 11 ? 39.091 46.604 82.910 1.00 60.37 ? 11 A A OP2 1
|
| 1342 |
+
ATOM 214 O "O5'" . A A 1 11 ? 36.585 46.942 83.228 1.00 36.71 ? 11 A A "O5'" 1
|
| 1343 |
+
ATOM 215 C "C5'" . A A 1 11 ? 35.441 47.162 84.036 1.00 18.24 ? 11 A A "C5'" 1
|
| 1344 |
+
ATOM 216 C "C4'" . A A 1 11 ? 34.204 47.303 83.204 1.00 19.33 ? 11 A A "C4'" 1
|
| 1345 |
+
ATOM 217 O "O4'" . A A 1 11 ? 34.325 48.414 82.292 1.00 26.45 ? 11 A A "O4'" 1
|
| 1346 |
+
ATOM 218 C "C3'" . A A 1 11 ? 33.732 46.165 82.318 1.00 20.21 ? 11 A A "C3'" 1
|
| 1347 |
+
ATOM 219 O "O3'" . A A 1 11 ? 33.063 45.171 83.069 1.00 37.51 ? 11 A A "O3'" 1
|
| 1348 |
+
ATOM 220 C "C2'" . A A 1 11 ? 32.722 46.884 81.424 1.00 22.27 ? 11 A A "C2'" 1
|
| 1349 |
+
ATOM 221 O "O2'" . A A 1 11 ? 31.440 47.048 81.998 1.00 8.16 ? 11 A A "O2'" 1
|
| 1350 |
+
ATOM 222 C "C1'" . A A 1 11 ? 33.366 48.262 81.253 1.00 31.53 ? 11 A A "C1'" 1
|
| 1351 |
+
ATOM 223 N N9 . A A 1 11 ? 34.015 48.329 79.940 1.00 42.23 ? 11 A A N9 1
|
| 1352 |
+
ATOM 224 C C8 . A A 1 11 ? 35.319 48.093 79.558 1.00 40.85 ? 11 A A C8 1
|
| 1353 |
+
ATOM 225 N N7 . A A 1 11 ? 35.497 48.109 78.259 1.00 38.35 ? 11 A A N7 1
|
| 1354 |
+
ATOM 226 C C5 . A A 1 11 ? 34.238 48.404 77.757 1.00 38.66 ? 11 A A C5 1
|
| 1355 |
+
ATOM 227 C C6 . A A 1 11 ? 33.755 48.524 76.459 1.00 46.53 ? 11 A A C6 1
|
| 1356 |
+
ATOM 228 N N6 . A A 1 11 ? 34.513 48.350 75.379 1.00 52.83 ? 11 A A N6 1
|
| 1357 |
+
ATOM 229 N N1 . A A 1 11 ? 32.444 48.825 76.297 1.00 51.68 ? 11 A A N1 1
|
| 1358 |
+
ATOM 230 C C2 . A A 1 11 ? 31.680 48.980 77.388 1.00 49.15 ? 11 A A C2 1
|
| 1359 |
+
ATOM 231 N N3 . A A 1 11 ? 32.021 48.880 78.667 1.00 44.10 ? 11 A A N3 1
|
| 1360 |
+
ATOM 232 C C4 . A A 1 11 ? 33.329 48.580 78.781 1.00 40.86 ? 11 A A C4 1
|
| 1361 |
+
ATOM 233 P P . A A 1 12 ? 32.818 43.714 82.440 1.00 46.92 ? 12 A A P 1
|
| 1362 |
+
ATOM 234 O OP1 . A A 1 12 ? 32.041 42.921 83.432 1.00 51.44 ? 12 A A OP1 1
|
| 1363 |
+
ATOM 235 O OP2 . A A 1 12 ? 34.145 43.210 81.972 1.00 44.83 ? 12 A A OP2 1
|
| 1364 |
+
ATOM 236 O "O5'" . A A 1 12 ? 31.809 43.968 81.233 1.00 21.98 ? 12 A A "O5'" 1
|
| 1365 |
+
ATOM 237 C "C5'" . A A 1 12 ? 30.467 44.282 81.513 1.00 13.00 ? 12 A A "C5'" 1
|
| 1366 |
+
ATOM 238 C "C4'" . A A 1 12 ? 29.675 44.396 80.238 1.00 28.58 ? 12 A A "C4'" 1
|
| 1367 |
+
ATOM 239 O "O4'" . A A 1 12 ? 30.097 45.561 79.492 1.00 38.85 ? 12 A A "O4'" 1
|
| 1368 |
+
ATOM 240 C "C3'" . A A 1 12 ? 29.787 43.252 79.262 1.00 24.64 ? 12 A A "C3'" 1
|
| 1369 |
+
ATOM 241 O "O3'" . A A 1 12 ? 28.858 42.237 79.535 1.00 32.28 ? 12 A A "O3'" 1
|
| 1370 |
+
ATOM 242 C "C2'" . A A 1 12 ? 29.405 43.918 77.959 1.00 28.70 ? 12 A A "C2'" 1
|
| 1371 |
+
ATOM 243 O "O2'" . A A 1 12 ? 27.999 44.091 77.936 1.00 19.09 ? 12 A A "O2'" 1
|
| 1372 |
+
ATOM 244 C "C1'" . A A 1 12 ? 30.084 45.277 78.109 1.00 34.53 ? 12 A A "C1'" 1
|
| 1373 |
+
ATOM 245 N N9 . A A 1 12 ? 31.485 45.286 77.675 1.00 41.17 ? 12 A A N9 1
|
| 1374 |
+
ATOM 246 C C8 . A A 1 12 ? 32.573 45.350 78.512 1.00 47.29 ? 12 A A C8 1
|
| 1375 |
+
ATOM 247 N N7 . A A 1 12 ? 33.728 45.381 77.891 1.00 45.78 ? 12 A A N7 1
|
| 1376 |
+
ATOM 248 C C5 . A A 1 12 ? 33.380 45.325 76.553 1.00 39.63 ? 12 A A C5 1
|
| 1377 |
+
ATOM 249 C C6 . A A 1 12 ? 34.150 45.330 75.402 1.00 36.47 ? 12 A A C6 1
|
| 1378 |
+
ATOM 250 N N6 . A A 1 12 ? 35.473 45.416 75.408 1.00 46.01 ? 12 A A N6 1
|
| 1379 |
+
ATOM 251 N N1 . A A 1 12 ? 33.513 45.251 74.227 1.00 32.52 ? 12 A A N1 1
|
| 1380 |
+
ATOM 252 C C2 . A A 1 12 ? 32.176 45.183 74.227 1.00 38.15 ? 12 A A C2 1
|
| 1381 |
+
ATOM 253 N N3 . A A 1 12 ? 31.331 45.181 75.245 1.00 36.01 ? 12 A A N3 1
|
| 1382 |
+
ATOM 254 C C4 . A A 1 12 ? 32.005 45.255 76.402 1.00 40.32 ? 12 A A C4 1
|
| 1383 |
+
ATOM 255 P P . C A 1 13 ? 29.171 40.763 79.013 1.00 42.75 ? 13 C A P 1
|
| 1384 |
+
ATOM 256 O OP1 . C A 1 13 ? 28.089 39.863 79.462 1.00 38.76 ? 13 C A OP1 1
|
| 1385 |
+
ATOM 257 O OP2 . C A 1 13 ? 30.596 40.479 79.396 1.00 40.38 ? 13 C A OP2 1
|
| 1386 |
+
ATOM 258 O "O5'" . C A 1 13 ? 29.043 40.912 77.435 1.00 46.92 ? 13 C A "O5'" 1
|
| 1387 |
+
ATOM 259 C "C5'" . C A 1 13 ? 27.776 41.250 76.857 1.00 53.40 ? 13 C A "C5'" 1
|
| 1388 |
+
ATOM 260 C "C4'" . C A 1 13 ? 27.871 41.283 75.354 1.00 49.67 ? 13 C A "C4'" 1
|
| 1389 |
+
ATOM 261 O "O4'" . C A 1 13 ? 28.771 42.337 74.977 1.00 50.79 ? 13 C A "O4'" 1
|
| 1390 |
+
ATOM 262 C "C3'" . C A 1 13 ? 28.419 40.057 74.652 1.00 46.65 ? 13 C A "C3'" 1
|
| 1391 |
+
ATOM 263 O "O3'" . C A 1 13 ? 27.398 39.106 74.459 1.00 53.66 ? 13 C A "O3'" 1
|
| 1392 |
+
ATOM 264 C "C2'" . C A 1 13 ? 28.903 40.642 73.335 1.00 45.08 ? 13 C A "C2'" 1
|
| 1393 |
+
ATOM 265 O "O2'" . C A 1 13 ? 27.841 40.946 72.447 1.00 51.17 ? 13 C A "O2'" 1
|
| 1394 |
+
ATOM 266 C "C1'" . C A 1 13 ? 29.452 41.977 73.800 1.00 41.82 ? 13 C A "C1'" 1
|
| 1395 |
+
ATOM 267 N N1 . C A 1 13 ? 30.862 41.904 74.126 1.00 29.56 ? 13 C A N1 1
|
| 1396 |
+
ATOM 268 C C2 . C A 1 13 ? 31.765 41.869 73.099 1.00 36.12 ? 13 C A C2 1
|
| 1397 |
+
ATOM 269 O O2 . C A 1 13 ? 31.327 41.886 71.945 1.00 53.95 ? 13 C A O2 1
|
| 1398 |
+
ATOM 270 N N3 . C A 1 13 ? 33.079 41.835 73.373 1.00 26.12 ? 13 C A N3 1
|
| 1399 |
+
ATOM 271 C C4 . C A 1 13 ? 33.481 41.858 74.634 1.00 28.81 ? 13 C A C4 1
|
| 1400 |
+
ATOM 272 N N4 . C A 1 13 ? 34.781 41.873 74.880 1.00 42.38 ? 13 C A N4 1
|
| 1401 |
+
ATOM 273 C C5 . C A 1 13 ? 32.567 41.881 75.709 1.00 24.87 ? 13 C A C5 1
|
| 1402 |
+
ATOM 274 C C6 . C A 1 13 ? 31.276 41.894 75.414 1.00 19.72 ? 13 C A C6 1
|
| 1403 |
+
ATOM 275 P P . G A 1 14 ? 27.746 37.542 74.563 1.00 53.43 ? 14 G A P 1
|
| 1404 |
+
ATOM 276 O OP1 . G A 1 14 ? 26.501 36.841 74.189 1.00 52.83 ? 14 G A OP1 1
|
| 1405 |
+
ATOM 277 O OP2 . G A 1 14 ? 28.447 37.213 75.837 1.00 51.72 ? 14 G A OP2 1
|
| 1406 |
+
ATOM 278 O "O5'" . G A 1 14 ? 28.784 37.304 73.400 1.00 50.72 ? 14 G A "O5'" 1
|
| 1407 |
+
ATOM 279 C "C5'" . G A 1 14 ? 28.473 37.702 72.084 1.00 49.29 ? 14 G A "C5'" 1
|
| 1408 |
+
ATOM 280 C "C4'" . G A 1 14 ? 29.666 37.491 71.236 1.00 43.38 ? 14 G A "C4'" 1
|
| 1409 |
+
ATOM 281 O "O4'" . G A 1 14 ? 30.742 38.317 71.755 1.00 46.08 ? 14 G A "O4'" 1
|
| 1410 |
+
ATOM 282 C "C3'" . G A 1 14 ? 30.185 36.061 71.317 1.00 38.32 ? 14 G A "C3'" 1
|
| 1411 |
+
ATOM 283 O "O3'" . G A 1 14 ? 30.673 35.740 70.047 1.00 37.37 ? 14 G A "O3'" 1
|
| 1412 |
+
ATOM 284 C "C2'" . G A 1 14 ? 31.384 36.186 72.244 1.00 32.70 ? 14 G A "C2'" 1
|
| 1413 |
+
ATOM 285 O "O2'" . G A 1 14 ? 32.416 35.246 72.090 1.00 29.39 ? 14 G A "O2'" 1
|
| 1414 |
+
ATOM 286 C "C1'" . G A 1 14 ? 31.901 37.532 71.792 1.00 42.03 ? 14 G A "C1'" 1
|
| 1415 |
+
ATOM 287 N N9 . G A 1 14 ? 32.874 38.086 72.705 1.00 43.59 ? 14 G A N9 1
|
| 1416 |
+
ATOM 288 C C8 . G A 1 14 ? 32.862 37.988 74.060 1.00 46.74 ? 14 G A C8 1
|
| 1417 |
+
ATOM 289 N N7 . G A 1 14 ? 33.947 38.451 74.607 1.00 54.28 ? 14 G A N7 1
|
| 1418 |
+
ATOM 290 C C5 . G A 1 14 ? 34.707 38.898 73.544 1.00 49.72 ? 14 G A C5 1
|
| 1419 |
+
ATOM 291 C C6 . G A 1 14 ? 35.992 39.447 73.522 1.00 45.00 ? 14 G A C6 1
|
| 1420 |
+
ATOM 292 O O6 . G A 1 14 ? 36.764 39.591 74.457 1.00 42.42 ? 14 G A O6 1
|
| 1421 |
+
ATOM 293 N N1 . G A 1 14 ? 36.369 39.821 72.245 1.00 45.77 ? 14 G A N1 1
|
| 1422 |
+
ATOM 294 C C2 . G A 1 14 ? 35.604 39.653 71.127 1.00 48.98 ? 14 G A C2 1
|
| 1423 |
+
ATOM 295 N N2 . G A 1 14 ? 36.118 40.127 69.998 1.00 56.15 ? 14 G A N2 1
|
| 1424 |
+
ATOM 296 N N3 . G A 1 14 ? 34.419 39.080 71.124 1.00 46.43 ? 14 G A N3 1
|
| 1425 |
+
ATOM 297 C C4 . G A 1 14 ? 34.033 38.731 72.366 1.00 47.50 ? 14 G A C4 1
|
| 1426 |
+
ATOM 298 P P . G A 1 15 ? 30.211 34.397 69.345 1.00 40.76 ? 15 G A P 1
|
| 1427 |
+
ATOM 299 O OP1 . G A 1 15 ? 28.937 34.719 68.617 1.00 36.44 ? 15 G A OP1 1
|
| 1428 |
+
ATOM 300 O OP2 . G A 1 15 ? 30.254 33.261 70.322 1.00 35.78 ? 15 G A OP2 1
|
| 1429 |
+
ATOM 301 O "O5'" . G A 1 15 ? 31.386 34.198 68.309 1.00 31.10 ? 15 G A "O5'" 1
|
| 1430 |
+
ATOM 302 C "C5'" . G A 1 15 ? 31.452 35.014 67.147 1.00 31.46 ? 15 G A "C5'" 1
|
| 1431 |
+
ATOM 303 C "C4'" . G A 1 15 ? 32.873 35.126 66.680 1.00 31.06 ? 15 G A "C4'" 1
|
| 1432 |
+
ATOM 304 O "O4'" . G A 1 15 ? 33.495 36.237 67.354 1.00 32.89 ? 15 G A "O4'" 1
|
| 1433 |
+
ATOM 305 C "C3'" . G A 1 15 ? 33.781 33.943 66.981 1.00 29.60 ? 15 G A "C3'" 1
|
| 1434 |
+
ATOM 306 O "O3'" . G A 1 15 ? 33.783 32.915 66.029 1.00 42.38 ? 15 G A "O3'" 1
|
| 1435 |
+
ATOM 307 C "C2'" . G A 1 15 ? 35.137 34.578 66.930 1.00 31.90 ? 15 G A "C2'" 1
|
| 1436 |
+
ATOM 308 O "O2'" . G A 1 15 ? 35.480 34.678 65.557 1.00 29.23 ? 15 G A "O2'" 1
|
| 1437 |
+
ATOM 309 C "C1'" . G A 1 15 ? 34.851 35.931 67.583 1.00 37.06 ? 15 G A "C1'" 1
|
| 1438 |
+
ATOM 310 N N9 . G A 1 15 ? 35.073 35.861 69.027 1.00 38.73 ? 15 G A N9 1
|
| 1439 |
+
ATOM 311 C C8 . G A 1 15 ? 34.176 35.547 70.015 1.00 42.24 ? 15 G A C8 1
|
| 1440 |
+
ATOM 312 N N7 . G A 1 15 ? 34.708 35.575 71.204 1.00 40.13 ? 15 G A N7 1
|
| 1441 |
+
ATOM 313 C C5 . G A 1 15 ? 36.020 35.931 70.973 1.00 36.51 ? 15 G A C5 1
|
| 1442 |
+
ATOM 314 C C6 . G A 1 15 ? 37.057 36.141 71.857 1.00 44.41 ? 15 G A C6 1
|
| 1443 |
+
ATOM 315 O O6 . G A 1 15 ? 37.040 36.058 73.082 1.00 60.27 ? 15 G A O6 1
|
| 1444 |
+
ATOM 316 N N1 . G A 1 15 ? 38.220 36.488 71.201 1.00 39.34 ? 15 G A N1 1
|
| 1445 |
+
ATOM 317 C C2 . G A 1 15 ? 38.346 36.614 69.856 1.00 35.72 ? 15 G A C2 1
|
| 1446 |
+
ATOM 318 N N2 . G A 1 15 ? 39.537 36.947 69.388 1.00 45.18 ? 15 G A N2 1
|
| 1447 |
+
ATOM 319 N N3 . G A 1 15 ? 37.382 36.430 69.023 1.00 31.85 ? 15 G A N3 1
|
| 1448 |
+
ATOM 320 C C4 . G A 1 15 ? 36.255 36.097 69.639 1.00 32.38 ? 15 G A C4 1
|
| 1449 |
+
ATOM 321 P P . G A 1 16 ? 34.107 31.417 66.509 1.00 49.26 ? 16 G A P 1
|
| 1450 |
+
ATOM 322 O OP1 . G A 1 16 ? 33.280 30.520 65.687 1.00 53.96 ? 16 G A OP1 1
|
| 1451 |
+
ATOM 323 O OP2 . G A 1 16 ? 34.013 31.344 67.980 1.00 57.46 ? 16 G A OP2 1
|
| 1452 |
+
ATOM 324 O "O5'" . G A 1 16 ? 35.622 31.126 66.133 1.00 39.20 ? 16 G A "O5'" 1
|
| 1453 |
+
ATOM 325 C "C5'" . G A 1 16 ? 36.047 29.767 66.089 1.00 39.26 ? 16 G A "C5'" 1
|
| 1454 |
+
ATOM 326 C "C4'" . G A 1 16 ? 37.514 29.686 65.906 1.00 35.99 ? 16 G A "C4'" 1
|
| 1455 |
+
ATOM 327 O "O4'" . G A 1 16 ? 38.110 30.519 66.899 1.00 36.81 ? 16 G A "O4'" 1
|
| 1456 |
+
ATOM 328 C "C3'" . G A 1 16 ? 38.112 28.290 66.036 1.00 35.85 ? 16 G A "C3'" 1
|
| 1457 |
+
ATOM 329 O "O3'" . G A 1 16 ? 39.148 28.161 65.121 1.00 36.17 ? 16 G A "O3'" 1
|
| 1458 |
+
ATOM 330 C "C2'" . G A 1 16 ? 38.729 28.258 67.416 1.00 41.36 ? 16 G A "C2'" 1
|
| 1459 |
+
ATOM 331 O "O2'" . G A 1 16 ? 39.984 27.583 67.367 1.00 45.70 ? 16 G A "O2'" 1
|
| 1460 |
+
ATOM 332 C "C1'" . G A 1 16 ? 38.919 29.743 67.744 1.00 45.24 ? 16 G A "C1'" 1
|
| 1461 |
+
ATOM 333 N N9 . G A 1 16 ? 38.447 29.965 69.103 1.00 54.43 ? 16 G A N9 1
|
| 1462 |
+
ATOM 334 C C8 . G A 1 16 ? 37.147 30.157 69.526 1.00 52.91 ? 16 G A C8 1
|
| 1463 |
+
ATOM 335 N N7 . G A 1 16 ? 37.042 30.195 70.827 1.00 49.82 ? 16 G A N7 1
|
| 1464 |
+
ATOM 336 C C5 . G A 1 16 ? 38.349 30.043 71.273 1.00 48.10 ? 16 G A C5 1
|
| 1465 |
+
ATOM 337 C C6 . G A 1 16 ? 38.838 29.948 72.542 1.00 49.40 ? 16 G A C6 1
|
| 1466 |
+
ATOM 338 O O6 . G A 1 16 ? 38.201 29.916 73.573 1.00 65.79 ? 16 G A O6 1
|
| 1467 |
+
ATOM 339 N N1 . G A 1 16 ? 40.223 29.832 72.563 1.00 42.24 ? 16 G A N1 1
|
| 1468 |
+
ATOM 340 C C2 . G A 1 16 ? 41.017 29.764 71.463 1.00 44.15 ? 16 G A C2 1
|
| 1469 |
+
ATOM 341 N N2 . G A 1 16 ? 42.333 29.637 71.675 1.00 54.53 ? 16 G A N2 1
|
| 1470 |
+
ATOM 342 N N3 . G A 1 16 ? 40.560 29.810 70.245 1.00 42.25 ? 16 G A N3 1
|
| 1471 |
+
ATOM 343 C C4 . G A 1 16 ? 39.225 29.948 70.222 1.00 48.94 ? 16 G A C4 1
|
| 1472 |
+
ATOM 344 P P . A A 1 17 ? 38.815 28.257 63.577 1.00 33.19 ? 17 A A P 1
|
| 1473 |
+
ATOM 345 O OP1 . A A 1 17 ? 37.349 28.408 63.402 1.00 22.94 ? 17 A A OP1 1
|
| 1474 |
+
ATOM 346 O OP2 . A A 1 17 ? 39.518 27.124 62.944 1.00 48.57 ? 17 A A OP2 1
|
| 1475 |
+
ATOM 347 O "O5'" . A A 1 17 ? 39.464 29.643 63.165 1.00 25.06 ? 17 A A "O5'" 1
|
| 1476 |
+
ATOM 348 C "C5'" . A A 1 17 ? 38.608 30.749 63.024 1.00 32.41 ? 17 A A "C5'" 1
|
| 1477 |
+
ATOM 349 C "C4'" . A A 1 17 ? 39.380 31.982 62.735 1.00 31.63 ? 17 A A "C4'" 1
|
| 1478 |
+
ATOM 350 O "O4'" . A A 1 17 ? 40.196 31.746 61.576 1.00 29.00 ? 17 A A "O4'" 1
|
| 1479 |
+
ATOM 351 C "C3'" . A A 1 17 ? 38.423 33.087 62.345 1.00 34.19 ? 17 A A "C3'" 1
|
| 1480 |
+
ATOM 352 O "O3'" . A A 1 17 ? 37.895 33.743 63.500 1.00 40.19 ? 17 A A "O3'" 1
|
| 1481 |
+
ATOM 353 C "C2'" . A A 1 17 ? 39.198 33.916 61.353 1.00 46.36 ? 17 A A "C2'" 1
|
| 1482 |
+
ATOM 354 O "O2'" . A A 1 17 ? 39.948 34.940 61.969 1.00 66.59 ? 17 A A "O2'" 1
|
| 1483 |
+
ATOM 355 C "C1'" . A A 1 17 ? 40.107 32.861 60.710 1.00 41.16 ? 17 A A "C1'" 1
|
| 1484 |
+
ATOM 356 N N9 . A A 1 17 ? 39.679 32.412 59.386 1.00 36.58 ? 17 A A N9 1
|
| 1485 |
+
ATOM 357 C C8 . A A 1 17 ? 39.239 31.183 59.006 1.00 45.06 ? 17 A A C8 1
|
| 1486 |
+
ATOM 358 N N7 . A A 1 17 ? 38.926 31.104 57.735 1.00 45.75 ? 17 A A N7 1
|
| 1487 |
+
ATOM 359 C C5 . A A 1 17 ? 39.182 32.372 57.254 1.00 38.20 ? 17 A A C5 1
|
| 1488 |
+
ATOM 360 C C6 . A A 1 17 ? 39.035 32.941 55.994 1.00 43.12 ? 17 A A C6 1
|
| 1489 |
+
ATOM 361 N N6 . A A 1 17 ? 38.605 32.278 54.933 1.00 56.34 ? 17 A A N6 1
|
| 1490 |
+
ATOM 362 N N1 . A A 1 17 ? 39.346 34.235 55.851 1.00 36.49 ? 17 A A N1 1
|
| 1491 |
+
ATOM 363 C C2 . A A 1 17 ? 39.779 34.895 56.908 1.00 34.73 ? 17 A A C2 1
|
| 1492 |
+
ATOM 364 N N3 . A A 1 17 ? 39.970 34.471 58.141 1.00 34.40 ? 17 A A N3 1
|
| 1493 |
+
ATOM 365 C C4 . A A 1 17 ? 39.644 33.184 58.253 1.00 34.47 ? 17 A A C4 1
|
| 1494 |
+
ATOM 366 P P . A A 1 18 ? 38.803 34.717 64.430 1.00 32.51 ? 18 A A P 1
|
| 1495 |
+
ATOM 367 O OP1 . A A 1 18 ? 38.091 34.647 65.692 1.00 45.87 ? 18 A A OP1 1
|
| 1496 |
+
ATOM 368 O OP2 . A A 1 18 ? 39.030 36.043 63.828 1.00 30.64 ? 18 A A OP2 1
|
| 1497 |
+
ATOM 369 O "O5'" . A A 1 18 ? 40.208 34.021 64.701 1.00 2.00 ? 18 A A "O5'" 1
|
| 1498 |
+
ATOM 370 C "C5'" . A A 1 18 ? 41.357 34.878 64.827 1.00 11.76 ? 18 A A "C5'" 1
|
| 1499 |
+
ATOM 371 C "C4'" . A A 1 18 ? 42.436 34.256 65.681 1.00 28.28 ? 18 A A "C4'" 1
|
| 1500 |
+
ATOM 372 O "O4'" . A A 1 18 ? 42.115 34.425 67.068 1.00 28.48 ? 18 A A "O4'" 1
|
| 1501 |
+
ATOM 373 C "C3'" . A A 1 18 ? 42.751 32.781 65.473 1.00 36.61 ? 18 A A "C3'" 1
|
| 1502 |
+
ATOM 374 O "O3'" . A A 1 18 ? 44.141 32.579 65.732 1.00 40.54 ? 18 A A "O3'" 1
|
| 1503 |
+
ATOM 375 C "C2'" . A A 1 18 ? 41.999 32.117 66.610 1.00 34.42 ? 18 A A "C2'" 1
|
| 1504 |
+
ATOM 376 O "O2'" . A A 1 18 ? 42.607 30.899 67.011 1.00 35.39 ? 18 A A "O2'" 1
|
| 1505 |
+
ATOM 377 C "C1'" . A A 1 18 ? 42.129 33.176 67.707 1.00 35.00 ? 18 A A "C1'" 1
|
| 1506 |
+
ATOM 378 N N9 . A A 1 18 ? 40.993 33.167 68.607 1.00 40.58 ? 18 A A N9 1
|
| 1507 |
+
ATOM 379 C C8 . A A 1 18 ? 39.687 33.094 68.229 1.00 51.86 ? 18 A A C8 1
|
| 1508 |
+
ATOM 380 N N7 . A A 1 18 ? 38.845 33.133 69.229 1.00 51.69 ? 18 A A N7 1
|
| 1509 |
+
ATOM 381 C C5 . A A 1 18 ? 39.659 33.224 70.333 1.00 37.01 ? 18 A A C5 1
|
| 1510 |
+
ATOM 382 C C6 . A A 1 18 ? 39.363 33.298 71.653 1.00 38.96 ? 18 A A C6 1
|
| 1511 |
+
ATOM 383 N N6 . A A 1 18 ? 38.109 33.278 72.101 1.00 51.02 ? 18 A A N6 1
|
| 1512 |
+
ATOM 384 N N1 . A A 1 18 ? 40.384 33.396 72.518 1.00 35.05 ? 18 A A N1 1
|
| 1513 |
+
ATOM 385 C C2 . A A 1 18 ? 41.630 33.416 72.034 1.00 36.16 ? 18 A A C2 1
|
| 1514 |
+
ATOM 386 N N3 . A A 1 18 ? 42.038 33.347 70.785 1.00 30.05 ? 18 A A N3 1
|
| 1515 |
+
ATOM 387 C C4 . A A 1 18 ? 40.985 33.248 69.971 1.00 34.37 ? 18 A A C4 1
|
| 1516 |
+
ATOM 388 P P . A A 1 19 ? 45.197 32.562 64.517 1.00 46.72 ? 19 A A P 1
|
| 1517 |
+
ATOM 389 O OP1 . A A 1 19 ? 46.433 31.933 65.012 1.00 46.78 ? 19 A A OP1 1
|
| 1518 |
+
ATOM 390 O OP2 . A A 1 19 ? 45.262 33.945 63.937 1.00 42.70 ? 19 A A OP2 1
|
| 1519 |
+
ATOM 391 O "O5'" . A A 1 19 ? 44.561 31.552 63.456 1.00 44.19 ? 19 A A "O5'" 1
|
| 1520 |
+
ATOM 392 C "C5'" . A A 1 19 ? 44.329 30.177 63.805 1.00 40.34 ? 19 A A "C5'" 1
|
| 1521 |
+
ATOM 393 C "C4'" . A A 1 19 ? 43.945 29.351 62.584 1.00 37.40 ? 19 A A "C4'" 1
|
| 1522 |
+
ATOM 394 O "O4'" . A A 1 19 ? 42.700 29.836 61.996 1.00 33.76 ? 19 A A "O4'" 1
|
| 1523 |
+
ATOM 395 C "C3'" . A A 1 19 ? 44.923 29.288 61.423 1.00 33.23 ? 19 A A "C3'" 1
|
| 1524 |
+
ATOM 396 O "O3'" . A A 1 19 ? 45.958 28.331 61.611 1.00 34.93 ? 19 A A "O3'" 1
|
| 1525 |
+
ATOM 397 C "C2'" . A A 1 19 ? 44.018 28.845 60.292 1.00 38.60 ? 19 A A "C2'" 1
|
| 1526 |
+
ATOM 398 O "O2'" . A A 1 19 ? 43.813 27.446 60.444 1.00 43.44 ? 19 A A "O2'" 1
|
| 1527 |
+
ATOM 399 C "C1'" . A A 1 19 ? 42.738 29.641 60.591 1.00 36.04 ? 19 A A "C1'" 1
|
| 1528 |
+
ATOM 400 N N9 . A A 1 19 ? 42.768 30.973 59.978 1.00 34.17 ? 19 A A N9 1
|
| 1529 |
+
ATOM 401 C C8 . A A 1 19 ? 42.898 32.142 60.670 1.00 38.44 ? 19 A A C8 1
|
| 1530 |
+
ATOM 402 N N7 . A A 1 19 ? 42.970 33.204 59.909 1.00 42.28 ? 19 A A N7 1
|
| 1531 |
+
ATOM 403 C C5 . A A 1 19 ? 42.866 32.701 58.624 1.00 38.64 ? 19 A A C5 1
|
| 1532 |
+
ATOM 404 C C6 . A A 1 19 ? 42.906 33.324 57.363 1.00 40.07 ? 19 A A C6 1
|
| 1533 |
+
ATOM 405 N N6 . A A 1 19 ? 43.095 34.638 57.187 1.00 30.75 ? 19 A A N6 1
|
| 1534 |
+
ATOM 406 N N1 . A A 1 19 ? 42.765 32.542 56.279 1.00 39.36 ? 19 A A N1 1
|
| 1535 |
+
ATOM 407 C C2 . A A 1 19 ? 42.619 31.236 56.456 1.00 39.36 ? 19 A A C2 1
|
| 1536 |
+
ATOM 408 N N3 . A A 1 19 ? 42.589 30.533 57.586 1.00 41.43 ? 19 A A N3 1
|
| 1537 |
+
ATOM 409 C C4 . A A 1 19 ? 42.719 31.333 58.649 1.00 33.61 ? 19 A A C4 1
|
| 1538 |
+
ATOM 410 P P . A A 1 20 ? 47.367 28.519 60.830 1.00 38.69 ? 20 A A P 1
|
| 1539 |
+
ATOM 411 O OP1 . A A 1 20 ? 48.326 27.456 61.255 1.00 25.92 ? 20 A A OP1 1
|
| 1540 |
+
ATOM 412 O OP2 . A A 1 20 ? 47.813 29.960 60.881 1.00 33.17 ? 20 A A OP2 1
|
| 1541 |
+
ATOM 413 O "O5'" . A A 1 20 ? 46.930 28.202 59.337 1.00 35.32 ? 20 A A "O5'" 1
|
| 1542 |
+
ATOM 414 C "C5'" . A A 1 20 ? 46.380 26.928 59.011 1.00 39.77 ? 20 A A "C5'" 1
|
| 1543 |
+
ATOM 415 C "C4'" . A A 1 20 ? 46.066 26.878 57.546 1.00 39.29 ? 20 A A "C4'" 1
|
| 1544 |
+
ATOM 416 O "O4'" . A A 1 20 ? 45.048 27.858 57.298 1.00 34.12 ? 20 A A "O4'" 1
|
| 1545 |
+
ATOM 417 C "C3'" . A A 1 20 ? 47.214 27.259 56.623 1.00 36.08 ? 20 A A "C3'" 1
|
| 1546 |
+
ATOM 418 O "O3'" . A A 1 20 ? 47.984 26.128 56.268 1.00 35.25 ? 20 A A "O3'" 1
|
| 1547 |
+
ATOM 419 C "C2'" . A A 1 20 ? 46.496 27.825 55.417 1.00 37.40 ? 20 A A "C2'" 1
|
| 1548 |
+
ATOM 420 O "O2'" . A A 1 20 ? 46.010 26.817 54.564 1.00 46.65 ? 20 A A "O2'" 1
|
| 1549 |
+
ATOM 421 C "C1'" . A A 1 20 ? 45.304 28.500 56.077 1.00 32.94 ? 20 A A "C1'" 1
|
| 1550 |
+
ATOM 422 N N9 . A A 1 20 ? 45.634 29.862 56.405 1.00 27.12 ? 20 A A N9 1
|
| 1551 |
+
ATOM 423 C C8 . A A 1 20 ? 46.019 30.371 57.599 1.00 33.24 ? 20 A A C8 1
|
| 1552 |
+
ATOM 424 N N7 . A A 1 20 ? 46.248 31.651 57.563 1.00 34.99 ? 20 A A N7 1
|
| 1553 |
+
ATOM 425 C C5 . A A 1 20 ? 45.994 31.987 56.254 1.00 15.86 ? 20 A A C5 1
|
| 1554 |
+
ATOM 426 C C6 . A A 1 20 ? 46.039 33.164 55.600 1.00 18.16 ? 20 A A C6 1
|
| 1555 |
+
ATOM 427 N N6 . A A 1 20 ? 46.377 34.296 56.179 1.00 34.33 ? 20 A A N6 1
|
| 1556 |
+
ATOM 428 N N1 . A A 1 20 ? 45.716 33.175 54.308 1.00 24.17 ? 20 A A N1 1
|
| 1557 |
+
ATOM 429 C C2 . A A 1 20 ? 45.359 32.036 53.737 1.00 28.67 ? 20 A A C2 1
|
| 1558 |
+
ATOM 430 N N3 . A A 1 20 ? 45.274 30.842 54.261 1.00 22.57 ? 20 A A N3 1
|
| 1559 |
+
ATOM 431 C C4 . A A 1 20 ? 45.614 30.895 55.539 1.00 18.61 ? 20 A A C4 1
|
| 1560 |
+
ATOM 432 P P . U A 1 21 ? 49.529 26.320 55.905 1.00 38.44 ? 21 U A P 1
|
| 1561 |
+
ATOM 433 O OP1 . U A 1 21 ? 49.942 24.975 55.398 1.00 36.76 ? 21 U A OP1 1
|
| 1562 |
+
ATOM 434 O OP2 . U A 1 21 ? 50.284 26.951 57.008 1.00 45.01 ? 21 U A OP2 1
|
| 1563 |
+
ATOM 435 O "O5'" . U A 1 21 ? 49.476 27.429 54.774 1.00 30.17 ? 21 U A "O5'" 1
|
| 1564 |
+
ATOM 436 C "C5'" . U A 1 21 ? 48.762 27.162 53.592 1.00 35.26 ? 21 U A "C5'" 1
|
| 1565 |
+
ATOM 437 C "C4'" . U A 1 21 ? 48.909 28.295 52.648 1.00 33.00 ? 21 U A "C4'" 1
|
| 1566 |
+
ATOM 438 O "O4'" . U A 1 21 ? 48.099 29.392 53.096 1.00 31.52 ? 21 U A "O4'" 1
|
| 1567 |
+
ATOM 439 C "C3'" . U A 1 21 ? 50.292 28.890 52.519 1.00 35.00 ? 21 U A "C3'" 1
|
| 1568 |
+
ATOM 440 O "O3'" . U A 1 21 ? 51.117 28.143 51.652 1.00 44.42 ? 21 U A "O3'" 1
|
| 1569 |
+
ATOM 441 C "C2'" . U A 1 21 ? 49.975 30.249 51.930 1.00 33.00 ? 21 U A "C2'" 1
|
| 1570 |
+
ATOM 442 O "O2'" . U A 1 21 ? 49.687 30.135 50.551 1.00 39.36 ? 21 U A "O2'" 1
|
| 1571 |
+
ATOM 443 C "C1'" . U A 1 21 ? 48.689 30.598 52.669 1.00 29.86 ? 21 U A "C1'" 1
|
| 1572 |
+
ATOM 444 N N1 . U A 1 21 ? 48.993 31.364 53.866 1.00 24.01 ? 21 U A N1 1
|
| 1573 |
+
ATOM 445 C C2 . U A 1 21 ? 48.733 32.717 53.855 1.00 24.62 ? 21 U A C2 1
|
| 1574 |
+
ATOM 446 O O2 . U A 1 21 ? 48.285 33.306 52.894 1.00 23.96 ? 21 U A O2 1
|
| 1575 |
+
ATOM 447 N N3 . U A 1 21 ? 49.028 33.361 55.010 1.00 25.82 ? 21 U A N3 1
|
| 1576 |
+
ATOM 448 C C4 . U A 1 21 ? 49.554 32.799 56.133 1.00 36.74 ? 21 U A C4 1
|
| 1577 |
+
ATOM 449 O O4 . U A 1 21 ? 49.749 33.507 57.122 1.00 47.30 ? 21 U A O4 1
|
| 1578 |
+
ATOM 450 C C5 . U A 1 21 ? 49.809 31.388 56.043 1.00 35.19 ? 21 U A C5 1
|
| 1579 |
+
ATOM 451 C C6 . U A 1 21 ? 49.521 30.743 54.943 1.00 21.86 ? 21 U A C6 1
|
| 1580 |
+
ATOM 452 P P . G A 1 22 ? 52.699 28.420 51.647 1.00 47.62 ? 22 G A P 1
|
| 1581 |
+
ATOM 453 O OP1 . G A 1 22 ? 53.347 27.476 52.610 1.00 42.42 ? 22 G A OP1 1
|
| 1582 |
+
ATOM 454 O OP2 . G A 1 22 ? 52.899 29.879 51.809 1.00 52.99 ? 22 G A OP2 1
|
| 1583 |
+
ATOM 455 O "O5'" . G A 1 22 ? 53.123 28.079 50.151 1.00 47.02 ? 22 G A "O5'" 1
|
| 1584 |
+
ATOM 456 C "C5'" . G A 1 22 ? 52.691 26.873 49.507 1.00 44.92 ? 22 G A "C5'" 1
|
| 1585 |
+
ATOM 457 C "C4'" . G A 1 22 ? 52.538 27.109 48.025 1.00 44.71 ? 22 G A "C4'" 1
|
| 1586 |
+
ATOM 458 O "O4'" . G A 1 22 ? 51.426 28.005 47.786 1.00 48.31 ? 22 G A "O4'" 1
|
| 1587 |
+
ATOM 459 C "C3'" . G A 1 22 ? 53.722 27.779 47.364 1.00 42.04 ? 22 G A "C3'" 1
|
| 1588 |
+
ATOM 460 O "O3'" . G A 1 22 ? 54.682 26.825 46.979 1.00 42.39 ? 22 G A "O3'" 1
|
| 1589 |
+
ATOM 461 C "C2'" . G A 1 22 ? 53.112 28.486 46.165 1.00 44.56 ? 22 G A "C2'" 1
|
| 1590 |
+
ATOM 462 O "O2'" . G A 1 22 ? 53.005 27.704 44.998 1.00 54.98 ? 22 G A "O2'" 1
|
| 1591 |
+
ATOM 463 C "C1'" . G A 1 22 ? 51.724 28.841 46.691 1.00 43.53 ? 22 G A "C1'" 1
|
| 1592 |
+
ATOM 464 N N9 . G A 1 22 ? 51.755 30.202 47.174 1.00 40.66 ? 22 G A N9 1
|
| 1593 |
+
ATOM 465 C C8 . G A 1 22 ? 51.744 30.646 48.476 1.00 43.30 ? 22 G A C8 1
|
| 1594 |
+
ATOM 466 N N7 . G A 1 22 ? 51.826 31.944 48.570 1.00 44.08 ? 22 G A N7 1
|
| 1595 |
+
ATOM 467 C C5 . G A 1 22 ? 51.877 32.371 47.247 1.00 43.33 ? 22 G A C5 1
|
| 1596 |
+
ATOM 468 C C6 . G A 1 22 ? 51.964 33.670 46.707 1.00 42.36 ? 22 G A C6 1
|
| 1597 |
+
ATOM 469 O O6 . G A 1 22 ? 51.995 34.743 47.308 1.00 50.58 ? 22 G A O6 1
|
| 1598 |
+
ATOM 470 N N1 . G A 1 22 ? 52.010 33.644 45.318 1.00 35.81 ? 22 G A N1 1
|
| 1599 |
+
ATOM 471 C C2 . G A 1 22 ? 51.963 32.504 44.553 1.00 39.73 ? 22 G A C2 1
|
| 1600 |
+
ATOM 472 N N2 . G A 1 22 ? 52.020 32.672 43.240 1.00 51.98 ? 22 G A N2 1
|
| 1601 |
+
ATOM 473 N N3 . G A 1 22 ? 51.871 31.290 45.042 1.00 36.26 ? 22 G A N3 1
|
| 1602 |
+
ATOM 474 C C4 . G A 1 22 ? 51.834 31.299 46.385 1.00 40.42 ? 22 G A C4 1
|
| 1603 |
+
ATOM 475 P P . C A 1 23 ? 56.204 27.284 46.783 1.00 47.20 ? 23 C A P 1
|
| 1604 |
+
ATOM 476 O OP1 . C A 1 23 ? 56.866 25.992 46.489 1.00 47.29 ? 23 C A OP1 1
|
| 1605 |
+
ATOM 477 O OP2 . C A 1 23 ? 56.697 28.120 47.896 1.00 50.19 ? 23 C A OP2 1
|
| 1606 |
+
ATOM 478 O "O5'" . C A 1 23 ? 56.160 28.239 45.510 1.00 38.14 ? 23 C A "O5'" 1
|
| 1607 |
+
ATOM 479 C "C5'" . C A 1 23 ? 56.102 27.655 44.212 1.00 44.93 ? 23 C A "C5'" 1
|
| 1608 |
+
ATOM 480 C "C4'" . C A 1 23 ? 56.217 28.706 43.166 1.00 37.92 ? 23 C A "C4'" 1
|
| 1609 |
+
ATOM 481 O "O4'" . C A 1 23 ? 55.087 29.584 43.306 1.00 36.36 ? 23 C A "O4'" 1
|
| 1610 |
+
ATOM 482 C "C3'" . C A 1 23 ? 57.412 29.615 43.306 1.00 35.96 ? 23 C A "C3'" 1
|
| 1611 |
+
ATOM 483 O "O3'" . C A 1 23 ? 58.589 29.115 42.732 1.00 31.42 ? 23 C A "O3'" 1
|
| 1612 |
+
ATOM 484 C "C2'" . C A 1 23 ? 56.951 30.884 42.614 1.00 37.80 ? 23 C A "C2'" 1
|
| 1613 |
+
ATOM 485 O "O2'" . C A 1 23 ? 57.094 30.877 41.207 1.00 40.19 ? 23 C A "O2'" 1
|
| 1614 |
+
ATOM 486 C "C1'" . C A 1 23 ? 55.472 30.901 42.985 1.00 36.46 ? 23 C A "C1'" 1
|
| 1615 |
+
ATOM 487 N N1 . C A 1 23 ? 55.290 31.720 44.168 1.00 33.35 ? 23 C A N1 1
|
| 1616 |
+
ATOM 488 C C2 . C A 1 23 ? 55.208 33.099 44.007 1.00 39.43 ? 23 C A C2 1
|
| 1617 |
+
ATOM 489 O O2 . C A 1 23 ? 55.202 33.556 42.862 1.00 50.44 ? 23 C A O2 1
|
| 1618 |
+
ATOM 490 N N3 . C A 1 23 ? 55.133 33.887 45.081 1.00 36.66 ? 23 C A N3 1
|
| 1619 |
+
ATOM 491 C C4 . C A 1 23 ? 55.108 33.342 46.286 1.00 45.67 ? 23 C A C4 1
|
| 1620 |
+
ATOM 492 N N4 . C A 1 23 ? 55.065 34.162 47.336 1.00 63.18 ? 23 C A N4 1
|
| 1621 |
+
ATOM 493 C C5 . C A 1 23 ? 55.135 31.928 46.480 1.00 39.85 ? 23 C A C5 1
|
| 1622 |
+
ATOM 494 C C6 . C A 1 23 ? 55.227 31.159 45.401 1.00 27.74 ? 23 C A C6 1
|
| 1623 |
+
ATOM 495 P P . A A 1 24 ? 59.951 29.868 43.067 1.00 43.24 ? 24 A A P 1
|
| 1624 |
+
ATOM 496 O OP1 . A A 1 24 ? 61.066 29.188 42.388 1.00 49.41 ? 24 A A OP1 1
|
| 1625 |
+
ATOM 497 O OP2 . A A 1 24 ? 59.983 30.021 44.527 1.00 55.03 ? 24 A A OP2 1
|
| 1626 |
+
ATOM 498 O "O5'" . A A 1 24 ? 59.740 31.330 42.475 1.00 26.90 ? 24 A A "O5'" 1
|
| 1627 |
+
ATOM 499 C "C5'" . A A 1 24 ? 59.623 31.515 41.078 1.00 22.18 ? 24 A A "C5'" 1
|
| 1628 |
+
ATOM 500 C "C4'" . A A 1 24 ? 59.735 32.965 40.730 1.00 20.99 ? 24 A A "C4'" 1
|
| 1629 |
+
ATOM 501 O "O4'" . A A 1 24 ? 58.534 33.649 41.121 1.00 21.26 ? 24 A A "O4'" 1
|
| 1630 |
+
ATOM 502 C "C3'" . A A 1 24 ? 60.866 33.727 41.386 1.00 21.32 ? 24 A A "C3'" 1
|
| 1631 |
+
ATOM 503 O "O3'" . A A 1 24 ? 62.037 33.628 40.619 1.00 29.41 ? 24 A A "O3'" 1
|
| 1632 |
+
ATOM 504 C "C2'" . A A 1 24 ? 60.357 35.157 41.351 1.00 27.84 ? 24 A A "C2'" 1
|
| 1633 |
+
ATOM 505 O "O2'" . A A 1 24 ? 60.602 35.768 40.095 1.00 28.39 ? 24 A A "O2'" 1
|
| 1634 |
+
ATOM 506 C "C1'" . A A 1 24 ? 58.855 34.952 41.570 1.00 26.03 ? 24 A A "C1'" 1
|
| 1635 |
+
ATOM 507 N N9 . A A 1 24 ? 58.498 35.003 42.983 1.00 28.67 ? 24 A A N9 1
|
| 1636 |
+
ATOM 508 C C8 . A A 1 24 ? 58.361 33.933 43.832 1.00 33.26 ? 24 A A C8 1
|
| 1637 |
+
ATOM 509 N N7 . A A 1 24 ? 58.031 34.270 45.051 1.00 31.44 ? 24 A A N7 1
|
| 1638 |
+
ATOM 510 C C5 . A A 1 24 ? 57.952 35.649 44.997 1.00 26.47 ? 24 A A C5 1
|
| 1639 |
+
ATOM 511 C C6 . A A 1 24 ? 57.656 36.586 45.956 1.00 27.06 ? 24 A A C6 1
|
| 1640 |
+
ATOM 512 N N6 . A A 1 24 ? 57.396 36.265 47.216 1.00 32.45 ? 24 A A N6 1
|
| 1641 |
+
ATOM 513 N N1 . A A 1 24 ? 57.640 37.881 45.590 1.00 25.36 ? 24 A A N1 1
|
| 1642 |
+
ATOM 514 C C2 . A A 1 24 ? 57.927 38.185 44.331 1.00 27.89 ? 24 A A C2 1
|
| 1643 |
+
ATOM 515 N N3 . A A 1 24 ? 58.243 37.383 43.327 1.00 26.70 ? 24 A A N3 1
|
| 1644 |
+
ATOM 516 C C4 . A A 1 24 ? 58.233 36.112 43.734 1.00 24.88 ? 24 A A C4 1
|
| 1645 |
+
ATOM 517 P P . C A 1 25 ? 63.442 33.985 41.284 1.00 40.92 ? 25 C A P 1
|
| 1646 |
+
ATOM 518 O OP1 . C A 1 25 ? 64.454 33.892 40.215 1.00 54.27 ? 25 C A OP1 1
|
| 1647 |
+
ATOM 519 O OP2 . C A 1 25 ? 63.559 33.112 42.477 1.00 41.09 ? 25 C A OP2 1
|
| 1648 |
+
ATOM 520 O "O5'" . C A 1 25 ? 63.337 35.539 41.627 1.00 23.33 ? 25 C A "O5'" 1
|
| 1649 |
+
ATOM 521 C "C5'" . C A 1 25 ? 63.386 36.475 40.561 1.00 14.16 ? 25 C A "C5'" 1
|
| 1650 |
+
ATOM 522 C "C4'" . C A 1 25 ? 63.218 37.885 41.051 1.00 18.17 ? 25 C A "C4'" 1
|
| 1651 |
+
ATOM 523 O "O4'" . C A 1 25 ? 61.946 38.027 41.717 1.00 27.98 ? 25 C A "O4'" 1
|
| 1652 |
+
ATOM 524 C "C3'" . C A 1 25 ? 64.223 38.429 42.036 1.00 25.13 ? 25 C A "C3'" 1
|
| 1653 |
+
ATOM 525 O "O3'" . C A 1 25 ? 65.384 38.915 41.425 1.00 25.69 ? 25 C A "O3'" 1
|
| 1654 |
+
ATOM 526 C "C2'" . C A 1 25 ? 63.460 39.573 42.682 1.00 37.31 ? 25 C A "C2'" 1
|
| 1655 |
+
ATOM 527 O "O2'" . C A 1 25 ? 63.438 40.751 41.884 1.00 40.59 ? 25 C A "O2'" 1
|
| 1656 |
+
ATOM 528 C "C1'" . C A 1 25 ? 62.060 38.981 42.760 1.00 38.46 ? 25 C A "C1'" 1
|
| 1657 |
+
ATOM 529 N N1 . C A 1 25 ? 61.843 38.260 44.017 1.00 47.97 ? 25 C A N1 1
|
| 1658 |
+
ATOM 530 C C2 . C A 1 25 ? 61.029 38.824 44.980 1.00 45.52 ? 25 C A C2 1
|
| 1659 |
+
ATOM 531 O O2 . C A 1 25 ? 60.673 40.005 44.842 1.00 47.05 ? 25 C A O2 1
|
| 1660 |
+
ATOM 532 N N3 . C A 1 25 ? 60.663 38.077 46.044 1.00 43.58 ? 25 C A N3 1
|
| 1661 |
+
ATOM 533 C C4 . C A 1 25 ? 61.128 36.833 46.176 1.00 43.82 ? 25 C A C4 1
|
| 1662 |
+
ATOM 534 N N4 . C A 1 25 ? 60.683 36.102 47.179 1.00 46.50 ? 25 C A N4 1
|
| 1663 |
+
ATOM 535 C C5 . C A 1 25 ? 62.058 36.279 45.264 1.00 47.83 ? 25 C A C5 1
|
| 1664 |
+
ATOM 536 C C6 . C A 1 25 ? 62.388 37.018 44.208 1.00 50.85 ? 25 C A C6 1
|
| 1665 |
+
ATOM 537 P P . U A 1 26 ? 66.789 38.464 42.009 1.00 30.76 ? 26 U A P 1
|
| 1666 |
+
ATOM 538 O OP1 . U A 1 26 ? 66.538 37.959 43.372 1.00 45.16 ? 26 U A OP1 1
|
| 1667 |
+
ATOM 539 O OP2 . U A 1 26 ? 67.798 39.514 41.791 1.00 39.85 ? 26 U A OP2 1
|
| 1668 |
+
ATOM 540 O "O5'" . U A 1 26 ? 67.141 37.196 41.128 1.00 32.19 ? 26 U A "O5'" 1
|
| 1669 |
+
ATOM 541 C "C5'" . U A 1 26 ? 66.636 35.899 41.443 1.00 26.59 ? 26 U A "C5'" 1
|
| 1670 |
+
ATOM 542 C "C4'" . U A 1 26 ? 67.760 34.909 41.314 1.00 33.14 ? 26 U A "C4'" 1
|
| 1671 |
+
ATOM 543 O "O4'" . U A 1 26 ? 68.904 35.437 42.026 1.00 34.40 ? 26 U A "O4'" 1
|
| 1672 |
+
ATOM 544 C "C3'" . U A 1 26 ? 67.509 33.543 41.916 1.00 38.34 ? 26 U A "C3'" 1
|
| 1673 |
+
ATOM 545 O "O3'" . U A 1 26 ? 66.658 32.625 41.219 1.00 37.97 ? 26 U A "O3'" 1
|
| 1674 |
+
ATOM 546 C "C2'" . U A 1 26 ? 68.902 33.061 42.269 1.00 40.30 ? 26 U A "C2'" 1
|
| 1675 |
+
ATOM 547 O "O2'" . U A 1 26 ? 69.503 32.517 41.124 1.00 46.87 ? 26 U A "O2'" 1
|
| 1676 |
+
ATOM 548 C "C1'" . U A 1 26 ? 69.604 34.374 42.643 1.00 41.03 ? 26 U A "C1'" 1
|
| 1677 |
+
ATOM 549 N N1 . U A 1 26 ? 69.721 34.662 44.085 1.00 47.94 ? 26 U A N1 1
|
| 1678 |
+
ATOM 550 C C2 . U A 1 26 ? 70.555 33.855 44.827 1.00 57.78 ? 26 U A C2 1
|
| 1679 |
+
ATOM 551 O O2 . U A 1 26 ? 71.171 32.916 44.344 1.00 62.88 ? 26 U A O2 1
|
| 1680 |
+
ATOM 552 N N3 . U A 1 26 ? 70.654 34.187 46.159 1.00 66.88 ? 26 U A N3 1
|
| 1681 |
+
ATOM 553 C C4 . U A 1 26 ? 70.024 35.227 46.813 1.00 65.63 ? 26 U A C4 1
|
| 1682 |
+
ATOM 554 O O4 . U A 1 26 ? 70.282 35.440 48.008 1.00 65.32 ? 26 U A O4 1
|
| 1683 |
+
ATOM 555 C C5 . U A 1 26 ? 69.165 36.011 45.979 1.00 60.12 ? 26 U A C5 1
|
| 1684 |
+
ATOM 556 C C6 . U A 1 26 ? 69.044 35.709 44.678 1.00 54.27 ? 26 U A C6 1
|
| 1685 |
+
HETATM 557 O O . HOH B 2 . ? 37.894 36.979 60.681 1.00 38.06 ? 27 HOH A O 1
|
| 1686 |
+
HETATM 558 O O . HOH B 2 . ? 49.545 33.388 60.306 1.00 28.14 ? 28 HOH A O 1
|
| 1687 |
+
HETATM 559 O O . HOH B 2 . ? 34.143 32.231 74.146 1.00 71.67 ? 29 HOH A O 1
|
| 1688 |
+
HETATM 560 O O . HOH B 2 . ? 48.414 35.869 62.350 1.00 51.11 ? 30 HOH A O 1
|
| 1689 |
+
HETATM 561 O O . HOH B 2 . ? 36.853 54.946 73.458 1.00 38.09 ? 31 HOH A O 1
|
| 1690 |
+
HETATM 562 O O . HOH B 2 . ? 33.059 49.582 73.072 1.00 31.06 ? 32 HOH A O 1
|
| 1691 |
+
#
|
structures/3bsu.cif
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
structures/3dj0.cif
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
structures/3fs0.cif
ADDED
|
@@ -0,0 +1,1727 @@
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|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
data_3FS0
|
| 2 |
+
#
|
| 3 |
+
_entry.id 3FS0
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.378
|
| 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 3FS0 pdb_00003fs0 10.2210/pdb3fs0/pdb
|
| 15 |
+
NDB AR0101 ? ?
|
| 16 |
+
RCSB RCSB050969 ? ?
|
| 17 |
+
WWPDB D_1000050969 ? ?
|
| 18 |
+
#
|
| 19 |
+
_pdbx_database_related.db_name PDB
|
| 20 |
+
_pdbx_database_related.db_id 3FTM
|
| 21 |
+
_pdbx_database_related.details .
|
| 22 |
+
_pdbx_database_related.content_type unspecified
|
| 23 |
+
#
|
| 24 |
+
_pdbx_database_status.status_code REL
|
| 25 |
+
_pdbx_database_status.entry_id 3FS0
|
| 26 |
+
_pdbx_database_status.recvd_initial_deposition_date 2009-01-08
|
| 27 |
+
_pdbx_database_status.deposit_site RCSB
|
| 28 |
+
_pdbx_database_status.process_site RCSB
|
| 29 |
+
_pdbx_database_status.status_code_sf REL
|
| 30 |
+
_pdbx_database_status.status_code_mr ?
|
| 31 |
+
_pdbx_database_status.SG_entry .
|
| 32 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 33 |
+
_pdbx_database_status.status_code_cs ?
|
| 34 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 35 |
+
_pdbx_database_status.methods_development_category ?
|
| 36 |
+
#
|
| 37 |
+
loop_
|
| 38 |
+
_audit_author.name
|
| 39 |
+
_audit_author.pdbx_ordinal
|
| 40 |
+
'Pitt, J.N.' 1
|
| 41 |
+
;Ferre-D'Amare, A.R.
|
| 42 |
+
;
|
| 43 |
+
2
|
| 44 |
+
#
|
| 45 |
+
_citation.id primary
|
| 46 |
+
_citation.title 'Structure-guided engineering of the regioselectivity of RNA ligase ribozymes.'
|
| 47 |
+
_citation.journal_abbrev J.Am.Chem.Soc.
|
| 48 |
+
_citation.journal_volume 131
|
| 49 |
+
_citation.page_first 3532
|
| 50 |
+
_citation.page_last 3540
|
| 51 |
+
_citation.year 2009
|
| 52 |
+
_citation.journal_id_ASTM JACSAT
|
| 53 |
+
_citation.country US
|
| 54 |
+
_citation.journal_id_ISSN 0002-7863
|
| 55 |
+
_citation.journal_id_CSD 0004
|
| 56 |
+
_citation.book_publisher ?
|
| 57 |
+
_citation.pdbx_database_id_PubMed 19220054
|
| 58 |
+
_citation.pdbx_database_id_DOI 10.1021/ja8067325
|
| 59 |
+
#
|
| 60 |
+
loop_
|
| 61 |
+
_citation_author.citation_id
|
| 62 |
+
_citation_author.name
|
| 63 |
+
_citation_author.ordinal
|
| 64 |
+
_citation_author.identifier_ORCID
|
| 65 |
+
primary 'Pitt, J.N.' 1 ?
|
| 66 |
+
primary
|
| 67 |
+
;Ferre-D'Amare, A.R.
|
| 68 |
+
;
|
| 69 |
+
2 ?
|
| 70 |
+
#
|
| 71 |
+
_cell.entry_id 3FS0
|
| 72 |
+
_cell.length_a 30.040
|
| 73 |
+
_cell.length_b 30.040
|
| 74 |
+
_cell.length_c 59.666
|
| 75 |
+
_cell.angle_alpha 90.00
|
| 76 |
+
_cell.angle_beta 90.00
|
| 77 |
+
_cell.angle_gamma 120.00
|
| 78 |
+
_cell.Z_PDB 3
|
| 79 |
+
_cell.pdbx_unique_axis ?
|
| 80 |
+
_cell.length_a_esd ?
|
| 81 |
+
_cell.length_b_esd ?
|
| 82 |
+
_cell.length_c_esd ?
|
| 83 |
+
_cell.angle_alpha_esd ?
|
| 84 |
+
_cell.angle_beta_esd ?
|
| 85 |
+
_cell.angle_gamma_esd ?
|
| 86 |
+
#
|
| 87 |
+
_symmetry.entry_id 3FS0
|
| 88 |
+
_symmetry.space_group_name_H-M 'P 31'
|
| 89 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 90 |
+
_symmetry.cell_setting ?
|
| 91 |
+
_symmetry.Int_Tables_number 144
|
| 92 |
+
_symmetry.space_group_name_Hall ?
|
| 93 |
+
#
|
| 94 |
+
loop_
|
| 95 |
+
_entity.id
|
| 96 |
+
_entity.type
|
| 97 |
+
_entity.src_method
|
| 98 |
+
_entity.pdbx_description
|
| 99 |
+
_entity.formula_weight
|
| 100 |
+
_entity.pdbx_number_of_molecules
|
| 101 |
+
_entity.pdbx_ec
|
| 102 |
+
_entity.pdbx_mutation
|
| 103 |
+
_entity.pdbx_fragment
|
| 104 |
+
_entity.details
|
| 105 |
+
1 polymer syn "5'-R(*GP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3'" 3272.996 1 ? ? ? 'template strand of Class II ligase A4-11'
|
| 106 |
+
2 polymer syn "5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*C)-3'" 3505.170 1 ? ? ?
|
| 107 |
+
;Product strand of Class II ligase A4-11, single stranded RNA with one 2'-5' linkage
|
| 108 |
+
;
|
| 109 |
+
3 non-polymer syn 'MAGNESIUM ION' 24.305 5 ? ? ? ?
|
| 110 |
+
4 water nat water 18.015 12 ? ? ? ?
|
| 111 |
+
#
|
| 112 |
+
loop_
|
| 113 |
+
_entity_poly.entity_id
|
| 114 |
+
_entity_poly.type
|
| 115 |
+
_entity_poly.nstd_linkage
|
| 116 |
+
_entity_poly.nstd_monomer
|
| 117 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 118 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 119 |
+
_entity_poly.pdbx_strand_id
|
| 120 |
+
_entity_poly.pdbx_target_identifier
|
| 121 |
+
1 polyribonucleotide no no GGUGAGGCUG GGUGAGGCUG A ?
|
| 122 |
+
2 polyribonucleotide no no CCAGUCGGAAC CCAGUCGGAAC B ?
|
| 123 |
+
#
|
| 124 |
+
loop_
|
| 125 |
+
_entity_poly_seq.entity_id
|
| 126 |
+
_entity_poly_seq.num
|
| 127 |
+
_entity_poly_seq.mon_id
|
| 128 |
+
_entity_poly_seq.hetero
|
| 129 |
+
1 1 G n
|
| 130 |
+
1 2 G n
|
| 131 |
+
1 3 U n
|
| 132 |
+
1 4 G n
|
| 133 |
+
1 5 A n
|
| 134 |
+
1 6 G n
|
| 135 |
+
1 7 G n
|
| 136 |
+
1 8 C n
|
| 137 |
+
1 9 U n
|
| 138 |
+
1 10 G n
|
| 139 |
+
2 1 C n
|
| 140 |
+
2 2 C n
|
| 141 |
+
2 3 A n
|
| 142 |
+
2 4 G n
|
| 143 |
+
2 5 U n
|
| 144 |
+
2 6 C n
|
| 145 |
+
2 7 G n
|
| 146 |
+
2 8 G n
|
| 147 |
+
2 9 A n
|
| 148 |
+
2 10 A n
|
| 149 |
+
2 11 C n
|
| 150 |
+
#
|
| 151 |
+
loop_
|
| 152 |
+
_struct_ref.id
|
| 153 |
+
_struct_ref.db_name
|
| 154 |
+
_struct_ref.db_code
|
| 155 |
+
_struct_ref.entity_id
|
| 156 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 157 |
+
_struct_ref.pdbx_align_begin
|
| 158 |
+
_struct_ref.pdbx_db_accession
|
| 159 |
+
_struct_ref.pdbx_db_isoform
|
| 160 |
+
1 GB U26406 1 GGUGAGGCUG 227 U26406 ?
|
| 161 |
+
2 PDB 3FS0 2 CCAGUCGGAAC 1 3FS0 ?
|
| 162 |
+
#
|
| 163 |
+
loop_
|
| 164 |
+
_struct_ref_seq.align_id
|
| 165 |
+
_struct_ref_seq.ref_id
|
| 166 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 167 |
+
_struct_ref_seq.pdbx_strand_id
|
| 168 |
+
_struct_ref_seq.seq_align_beg
|
| 169 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 170 |
+
_struct_ref_seq.seq_align_end
|
| 171 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 172 |
+
_struct_ref_seq.pdbx_db_accession
|
| 173 |
+
_struct_ref_seq.db_align_beg
|
| 174 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 175 |
+
_struct_ref_seq.db_align_end
|
| 176 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 177 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 178 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 179 |
+
1 1 3FS0 A 1 ? 10 ? U25406 227 ? 236 ? 44 53
|
| 180 |
+
2 2 3FS0 B 1 ? 11 ? 3FS0 -6 ? 5 ? -6 5
|
| 181 |
+
#
|
| 182 |
+
loop_
|
| 183 |
+
_chem_comp.id
|
| 184 |
+
_chem_comp.type
|
| 185 |
+
_chem_comp.mon_nstd_flag
|
| 186 |
+
_chem_comp.name
|
| 187 |
+
_chem_comp.pdbx_synonyms
|
| 188 |
+
_chem_comp.formula
|
| 189 |
+
_chem_comp.formula_weight
|
| 190 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 191 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 192 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 193 |
+
HOH non-polymer . WATER ? 'H2 O' 18.015
|
| 194 |
+
MG non-polymer . 'MAGNESIUM ION' ? 'Mg 2' 24.305
|
| 195 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 196 |
+
#
|
| 197 |
+
_exptl.entry_id 3FS0
|
| 198 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 199 |
+
_exptl.crystals_number 1
|
| 200 |
+
#
|
| 201 |
+
_exptl_crystal.id 1
|
| 202 |
+
_exptl_crystal.density_meas ?
|
| 203 |
+
_exptl_crystal.density_Matthews 2.29
|
| 204 |
+
_exptl_crystal.density_percent_sol 46.36
|
| 205 |
+
_exptl_crystal.description ?
|
| 206 |
+
_exptl_crystal.F_000 ?
|
| 207 |
+
_exptl_crystal.preparation ?
|
| 208 |
+
#
|
| 209 |
+
_exptl_crystal_grow.crystal_id 1
|
| 210 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 211 |
+
_exptl_crystal_grow.temp 295
|
| 212 |
+
_exptl_crystal_grow.temp_details ?
|
| 213 |
+
_exptl_crystal_grow.pH 8.5
|
| 214 |
+
_exptl_crystal_grow.pdbx_details
|
| 215 |
+
'0.2mM RNA duplex, 10mM MgCl2, 25% PEG 4000, 0.2M lithium sulfate, 100mM Tris 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K'
|
| 216 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 217 |
+
#
|
| 218 |
+
loop_
|
| 219 |
+
_exptl_crystal_grow_comp.crystal_id
|
| 220 |
+
_exptl_crystal_grow_comp.id
|
| 221 |
+
_exptl_crystal_grow_comp.sol_id
|
| 222 |
+
_exptl_crystal_grow_comp.name
|
| 223 |
+
_exptl_crystal_grow_comp.volume
|
| 224 |
+
_exptl_crystal_grow_comp.conc
|
| 225 |
+
_exptl_crystal_grow_comp.details
|
| 226 |
+
1 1 1 MgCl2 ? ? ?
|
| 227 |
+
1 2 1 'PEG 4000' ? ? ?
|
| 228 |
+
1 3 1 'lithium sulfate' ? ? ?
|
| 229 |
+
1 4 1 Tris ? ? ?
|
| 230 |
+
1 5 2 MgCl2 ? ? ?
|
| 231 |
+
1 6 2 'PEG 4000' ? ? ?
|
| 232 |
+
1 7 2 'lithium sulfate' ? ? ?
|
| 233 |
+
1 8 2 Tris ? ? ?
|
| 234 |
+
#
|
| 235 |
+
_diffrn.id 1
|
| 236 |
+
_diffrn.ambient_temp 100
|
| 237 |
+
_diffrn.ambient_temp_details ?
|
| 238 |
+
_diffrn.crystal_id 1
|
| 239 |
+
#
|
| 240 |
+
_diffrn_detector.diffrn_id 1
|
| 241 |
+
_diffrn_detector.detector CCD
|
| 242 |
+
_diffrn_detector.type 'ADSC QUANTUM 210'
|
| 243 |
+
_diffrn_detector.pdbx_collection_date 2005-10-06
|
| 244 |
+
_diffrn_detector.details ?
|
| 245 |
+
#
|
| 246 |
+
_diffrn_radiation.diffrn_id 1
|
| 247 |
+
_diffrn_radiation.wavelength_id 1
|
| 248 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 249 |
+
_diffrn_radiation.monochromator ?
|
| 250 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 251 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 252 |
+
#
|
| 253 |
+
_diffrn_radiation_wavelength.id 1
|
| 254 |
+
_diffrn_radiation_wavelength.wavelength 1.0
|
| 255 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 256 |
+
#
|
| 257 |
+
_diffrn_source.diffrn_id 1
|
| 258 |
+
_diffrn_source.source SYNCHROTRON
|
| 259 |
+
_diffrn_source.type 'ALS BEAMLINE 5.0.1'
|
| 260 |
+
_diffrn_source.pdbx_synchrotron_site ALS
|
| 261 |
+
_diffrn_source.pdbx_synchrotron_beamline 5.0.1
|
| 262 |
+
_diffrn_source.pdbx_wavelength ?
|
| 263 |
+
_diffrn_source.pdbx_wavelength_list 1.0
|
| 264 |
+
#
|
| 265 |
+
_reflns.entry_id 3FS0
|
| 266 |
+
_reflns.observed_criterion_sigma_I 4
|
| 267 |
+
_reflns.observed_criterion_sigma_F ?
|
| 268 |
+
_reflns.d_resolution_low 30
|
| 269 |
+
_reflns.d_resolution_high 2.3
|
| 270 |
+
_reflns.number_obs 2663
|
| 271 |
+
_reflns.number_all ?
|
| 272 |
+
_reflns.percent_possible_obs 99.5
|
| 273 |
+
_reflns.pdbx_Rmerge_I_obs 0.042
|
| 274 |
+
_reflns.pdbx_Rsym_value 0.042
|
| 275 |
+
_reflns.pdbx_netI_over_sigmaI 31.3
|
| 276 |
+
_reflns.B_iso_Wilson_estimate 29.5
|
| 277 |
+
_reflns.pdbx_redundancy 5.7
|
| 278 |
+
_reflns.R_free_details ?
|
| 279 |
+
_reflns.limit_h_max ?
|
| 280 |
+
_reflns.limit_h_min ?
|
| 281 |
+
_reflns.limit_k_max ?
|
| 282 |
+
_reflns.limit_k_min ?
|
| 283 |
+
_reflns.limit_l_max ?
|
| 284 |
+
_reflns.limit_l_min ?
|
| 285 |
+
_reflns.observed_criterion_F_max ?
|
| 286 |
+
_reflns.observed_criterion_F_min ?
|
| 287 |
+
_reflns.pdbx_chi_squared ?
|
| 288 |
+
_reflns.pdbx_scaling_rejects ?
|
| 289 |
+
_reflns.pdbx_diffrn_id 1
|
| 290 |
+
_reflns.pdbx_ordinal 1
|
| 291 |
+
#
|
| 292 |
+
_reflns_shell.d_res_high 2.3
|
| 293 |
+
_reflns_shell.d_res_low 2.38
|
| 294 |
+
_reflns_shell.percent_possible_all 99.6
|
| 295 |
+
_reflns_shell.Rmerge_I_obs 0.307
|
| 296 |
+
_reflns_shell.pdbx_Rsym_value 0.307
|
| 297 |
+
_reflns_shell.meanI_over_sigI_obs 4.6
|
| 298 |
+
_reflns_shell.pdbx_redundancy 5.4
|
| 299 |
+
_reflns_shell.percent_possible_obs ?
|
| 300 |
+
_reflns_shell.number_unique_all 242
|
| 301 |
+
_reflns_shell.number_measured_all ?
|
| 302 |
+
_reflns_shell.number_measured_obs ?
|
| 303 |
+
_reflns_shell.number_unique_obs ?
|
| 304 |
+
_reflns_shell.pdbx_chi_squared ?
|
| 305 |
+
_reflns_shell.pdbx_diffrn_id ?
|
| 306 |
+
_reflns_shell.pdbx_ordinal 1
|
| 307 |
+
#
|
| 308 |
+
_refine.entry_id 3FS0
|
| 309 |
+
_refine.ls_number_reflns_obs 2653
|
| 310 |
+
_refine.ls_number_reflns_all 2661
|
| 311 |
+
_refine.pdbx_ls_sigma_I 0
|
| 312 |
+
_refine.pdbx_ls_sigma_F 0.0
|
| 313 |
+
_refine.pdbx_data_cutoff_high_absF 436790.98
|
| 314 |
+
_refine.pdbx_data_cutoff_low_absF 0.000000
|
| 315 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 316 |
+
_refine.ls_d_res_low 23.85
|
| 317 |
+
_refine.ls_d_res_high 2.30
|
| 318 |
+
_refine.ls_percent_reflns_obs 99.7
|
| 319 |
+
_refine.ls_R_factor_obs 0.208
|
| 320 |
+
_refine.ls_R_factor_all ?
|
| 321 |
+
_refine.ls_R_factor_R_work 0.208
|
| 322 |
+
_refine.ls_R_factor_R_free 0.234
|
| 323 |
+
_refine.ls_R_factor_R_free_error 0.015
|
| 324 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 325 |
+
_refine.ls_percent_reflns_R_free 9.5
|
| 326 |
+
_refine.ls_number_reflns_R_free 252
|
| 327 |
+
_refine.ls_number_parameters ?
|
| 328 |
+
_refine.ls_number_restraints ?
|
| 329 |
+
_refine.occupancy_min ?
|
| 330 |
+
_refine.occupancy_max ?
|
| 331 |
+
_refine.correlation_coeff_Fo_to_Fc ?
|
| 332 |
+
_refine.correlation_coeff_Fo_to_Fc_free ?
|
| 333 |
+
_refine.B_iso_mean 43.4
|
| 334 |
+
_refine.aniso_B[1][1] 9.78
|
| 335 |
+
_refine.aniso_B[2][2] 9.78
|
| 336 |
+
_refine.aniso_B[3][3] -19.56
|
| 337 |
+
_refine.aniso_B[1][2] 10.50
|
| 338 |
+
_refine.aniso_B[1][3] 0.00
|
| 339 |
+
_refine.aniso_B[2][3] 0.00
|
| 340 |
+
_refine.solvent_model_details 'FLAT MODEL'
|
| 341 |
+
_refine.solvent_model_param_ksol 0.3
|
| 342 |
+
_refine.solvent_model_param_bsol 25
|
| 343 |
+
_refine.pdbx_solvent_vdw_probe_radii ?
|
| 344 |
+
_refine.pdbx_solvent_ion_probe_radii ?
|
| 345 |
+
_refine.pdbx_solvent_shrinkage_radii ?
|
| 346 |
+
_refine.pdbx_ls_cross_valid_method THROUGHOUT
|
| 347 |
+
_refine.details ?
|
| 348 |
+
_refine.pdbx_starting_model 'PDB ENTRY 3FTM'
|
| 349 |
+
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
|
| 350 |
+
_refine.pdbx_isotropic_thermal_model RESTRAINED
|
| 351 |
+
_refine.pdbx_stereochemistry_target_values 'Engh & Huber'
|
| 352 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 353 |
+
_refine.pdbx_R_Free_selection_details RANDOM
|
| 354 |
+
_refine.pdbx_overall_ESU_R ?
|
| 355 |
+
_refine.pdbx_overall_ESU_R_Free ?
|
| 356 |
+
_refine.overall_SU_ML ?
|
| 357 |
+
_refine.overall_SU_B ?
|
| 358 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 359 |
+
_refine.B_iso_min ?
|
| 360 |
+
_refine.B_iso_max ?
|
| 361 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 362 |
+
_refine.overall_SU_R_free ?
|
| 363 |
+
_refine.ls_wR_factor_R_free ?
|
| 364 |
+
_refine.ls_wR_factor_R_work ?
|
| 365 |
+
_refine.overall_FOM_free_R_set ?
|
| 366 |
+
_refine.overall_FOM_work_R_set ?
|
| 367 |
+
_refine.pdbx_overall_phase_error ?
|
| 368 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 369 |
+
_refine.pdbx_diffrn_id 1
|
| 370 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 371 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 372 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 373 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 374 |
+
#
|
| 375 |
+
_refine_analyze.entry_id 3FS0
|
| 376 |
+
_refine_analyze.Luzzati_coordinate_error_obs 0.36
|
| 377 |
+
_refine_analyze.Luzzati_sigma_a_obs 0.44
|
| 378 |
+
_refine_analyze.Luzzati_d_res_low_obs 5.00
|
| 379 |
+
_refine_analyze.Luzzati_coordinate_error_free 0.44
|
| 380 |
+
_refine_analyze.Luzzati_sigma_a_free 0.44
|
| 381 |
+
_refine_analyze.Luzzati_d_res_low_free ?
|
| 382 |
+
_refine_analyze.number_disordered_residues ?
|
| 383 |
+
_refine_analyze.occupancy_sum_hydrogen ?
|
| 384 |
+
_refine_analyze.occupancy_sum_non_hydrogen ?
|
| 385 |
+
_refine_analyze.pdbx_Luzzati_d_res_high_obs ?
|
| 386 |
+
_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 387 |
+
#
|
| 388 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 389 |
+
_refine_hist.cycle_id LAST
|
| 390 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 391 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 449
|
| 392 |
+
_refine_hist.pdbx_number_atoms_ligand 5
|
| 393 |
+
_refine_hist.number_atoms_solvent 12
|
| 394 |
+
_refine_hist.number_atoms_total 466
|
| 395 |
+
_refine_hist.d_res_high 2.30
|
| 396 |
+
_refine_hist.d_res_low 23.85
|
| 397 |
+
#
|
| 398 |
+
loop_
|
| 399 |
+
_refine_ls_restr.type
|
| 400 |
+
_refine_ls_restr.dev_ideal
|
| 401 |
+
_refine_ls_restr.dev_ideal_target
|
| 402 |
+
_refine_ls_restr.weight
|
| 403 |
+
_refine_ls_restr.number
|
| 404 |
+
_refine_ls_restr.pdbx_refine_id
|
| 405 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 406 |
+
c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 407 |
+
c_angle_deg 1.2 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 408 |
+
c_dihedral_angle_d 14.9 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 409 |
+
c_improper_angle_d 1.76 ? ? ? 'X-RAY DIFFRACTION' ?
|
| 410 |
+
#
|
| 411 |
+
_refine_ls_shell.pdbx_total_number_of_bins_used 6
|
| 412 |
+
_refine_ls_shell.d_res_high 2.30
|
| 413 |
+
_refine_ls_shell.d_res_low 2.44
|
| 414 |
+
_refine_ls_shell.number_reflns_R_work 378
|
| 415 |
+
_refine_ls_shell.R_factor_R_work 0.360
|
| 416 |
+
_refine_ls_shell.percent_reflns_obs 99.8
|
| 417 |
+
_refine_ls_shell.R_factor_R_free 0.382
|
| 418 |
+
_refine_ls_shell.R_factor_R_free_error 0.062
|
| 419 |
+
_refine_ls_shell.percent_reflns_R_free 9.1
|
| 420 |
+
_refine_ls_shell.number_reflns_R_free 38
|
| 421 |
+
_refine_ls_shell.number_reflns_all ?
|
| 422 |
+
_refine_ls_shell.R_factor_all ?
|
| 423 |
+
_refine_ls_shell.number_reflns_obs ?
|
| 424 |
+
_refine_ls_shell.redundancy_reflns_obs ?
|
| 425 |
+
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 426 |
+
#
|
| 427 |
+
loop_
|
| 428 |
+
_pdbx_xplor_file.serial_no
|
| 429 |
+
_pdbx_xplor_file.param_file
|
| 430 |
+
_pdbx_xplor_file.topol_file
|
| 431 |
+
_pdbx_xplor_file.pdbx_refine_id
|
| 432 |
+
1 protein_rep.param protein.top 'X-RAY DIFFRACTION'
|
| 433 |
+
2 pitt.param pitt.top 'X-RAY DIFFRACTION'
|
| 434 |
+
3 water_rep.param water.top 'X-RAY DIFFRACTION'
|
| 435 |
+
4 ion.param ion.top 'X-RAY DIFFRACTION'
|
| 436 |
+
#
|
| 437 |
+
_struct.entry_id 3FS0
|
| 438 |
+
_struct.title 'Class II ligase ribozyme product-template duplex, structure 2'
|
| 439 |
+
_struct.pdbx_model_details ?
|
| 440 |
+
_struct.pdbx_CASP_flag N
|
| 441 |
+
_struct.pdbx_model_type_details ?
|
| 442 |
+
#
|
| 443 |
+
_struct_keywords.entry_id 3FS0
|
| 444 |
+
_struct_keywords.pdbx_keywords RNA
|
| 445 |
+
_struct_keywords.text
|
| 446 |
+
;ribozyme, ligase, 2'-5', 2-5, 2p5, RNA
|
| 447 |
+
;
|
| 448 |
+
#
|
| 449 |
+
loop_
|
| 450 |
+
_struct_asym.id
|
| 451 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 452 |
+
_struct_asym.pdbx_modified
|
| 453 |
+
_struct_asym.entity_id
|
| 454 |
+
_struct_asym.details
|
| 455 |
+
A N N 1 ?
|
| 456 |
+
B N N 2 ?
|
| 457 |
+
C N N 3 ?
|
| 458 |
+
D N N 3 ?
|
| 459 |
+
E N N 3 ?
|
| 460 |
+
F N N 3 ?
|
| 461 |
+
G N N 3 ?
|
| 462 |
+
H N N 4 ?
|
| 463 |
+
I N N 4 ?
|
| 464 |
+
#
|
| 465 |
+
_struct_biol.id 1
|
| 466 |
+
_struct_biol.details ?
|
| 467 |
+
#
|
| 468 |
+
loop_
|
| 469 |
+
_struct_conn.id
|
| 470 |
+
_struct_conn.conn_type_id
|
| 471 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 472 |
+
_struct_conn.pdbx_PDB_id
|
| 473 |
+
_struct_conn.ptnr1_label_asym_id
|
| 474 |
+
_struct_conn.ptnr1_label_comp_id
|
| 475 |
+
_struct_conn.ptnr1_label_seq_id
|
| 476 |
+
_struct_conn.ptnr1_label_atom_id
|
| 477 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 478 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 479 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 480 |
+
_struct_conn.ptnr1_symmetry
|
| 481 |
+
_struct_conn.ptnr2_label_asym_id
|
| 482 |
+
_struct_conn.ptnr2_label_comp_id
|
| 483 |
+
_struct_conn.ptnr2_label_seq_id
|
| 484 |
+
_struct_conn.ptnr2_label_atom_id
|
| 485 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 486 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 487 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 488 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 489 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 490 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 491 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 492 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 493 |
+
_struct_conn.ptnr2_symmetry
|
| 494 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 495 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 496 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 497 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 498 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 499 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 500 |
+
_struct_conn.details
|
| 501 |
+
_struct_conn.pdbx_dist_value
|
| 502 |
+
_struct_conn.pdbx_value_order
|
| 503 |
+
_struct_conn.pdbx_role
|
| 504 |
+
covale1 covale one ? B C 6 "O2'" ? ? ? 1_555 B G 7 P ? ? B C -1 B G 1 1_555 ? ? ? ? ? ? ? 1.604 ? ?
|
| 505 |
+
hydrog1 hydrog ? ? A G 2 N1 ? ? ? 1_555 B C 11 N3 ? ? A G 45 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 506 |
+
hydrog2 hydrog ? ? A G 2 N2 ? ? ? 1_555 B C 11 O2 ? ? A G 45 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 507 |
+
hydrog3 hydrog ? ? A G 2 O6 ? ? ? 1_555 B C 11 N4 ? ? A G 45 B C 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 508 |
+
hydrog4 hydrog ? ? A U 3 N3 ? ? ? 1_555 B A 10 N1 ? ? A U 46 B A 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 509 |
+
hydrog5 hydrog ? ? A U 3 O4 ? ? ? 1_555 B A 10 N6 ? ? A U 46 B A 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 510 |
+
hydrog6 hydrog ? ? A A 5 N6 ? ? ? 1_555 B G 7 N3 ? ? A A 48 B G 1 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 511 |
+
hydrog7 hydrog ? ? A A 5 N7 ? ? ? 1_555 B G 7 N2 ? ? A A 48 B G 1 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 512 |
+
hydrog8 hydrog ? ? A G 6 N1 ? ? ? 1_555 B C 6 N3 ? ? A G 49 B C -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 513 |
+
hydrog9 hydrog ? ? A G 6 N2 ? ? ? 1_555 B C 6 O2 ? ? A G 49 B C -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 514 |
+
hydrog10 hydrog ? ? A G 6 O6 ? ? ? 1_555 B C 6 N4 ? ? A G 49 B C -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 515 |
+
hydrog11 hydrog ? ? A G 7 N1 ? ? ? 1_555 B U 5 O2 ? ? A G 50 B U -2 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 516 |
+
hydrog12 hydrog ? ? A G 7 O6 ? ? ? 1_555 B U 5 N3 ? ? A G 50 B U -2 1_555 ? ? ? ? ? ? TYPE_28_PAIR ? ? ?
|
| 517 |
+
hydrog13 hydrog ? ? A C 8 N3 ? ? ? 1_555 B G 4 N1 ? ? A C 51 B G -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 518 |
+
hydrog14 hydrog ? ? A C 8 N4 ? ? ? 1_555 B G 4 O6 ? ? A C 51 B G -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 519 |
+
hydrog15 hydrog ? ? A C 8 O2 ? ? ? 1_555 B G 4 N2 ? ? A C 51 B G -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 520 |
+
hydrog16 hydrog ? ? A U 9 N3 ? ? ? 1_555 B A 3 N1 ? ? A U 52 B A -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 521 |
+
hydrog17 hydrog ? ? A U 9 O4 ? ? ? 1_555 B A 3 N6 ? ? A U 52 B A -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 522 |
+
hydrog18 hydrog ? ? A G 10 N1 ? ? ? 1_555 B C 2 N3 ? ? A G 53 B C -5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 523 |
+
hydrog19 hydrog ? ? A G 10 N2 ? ? ? 1_555 B C 2 O2 ? ? A G 53 B C -5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 524 |
+
hydrog20 hydrog ? ? A G 10 O6 ? ? ? 1_555 B C 2 N4 ? ? A G 53 B C -5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 525 |
+
#
|
| 526 |
+
loop_
|
| 527 |
+
_struct_conn_type.id
|
| 528 |
+
_struct_conn_type.criteria
|
| 529 |
+
_struct_conn_type.reference
|
| 530 |
+
covale ? ?
|
| 531 |
+
hydrog ? ?
|
| 532 |
+
#
|
| 533 |
+
loop_
|
| 534 |
+
_struct_site.id
|
| 535 |
+
_struct_site.pdbx_evidence_code
|
| 536 |
+
_struct_site.pdbx_auth_asym_id
|
| 537 |
+
_struct_site.pdbx_auth_comp_id
|
| 538 |
+
_struct_site.pdbx_auth_seq_id
|
| 539 |
+
_struct_site.pdbx_auth_ins_code
|
| 540 |
+
_struct_site.pdbx_num_residues
|
| 541 |
+
_struct_site.details
|
| 542 |
+
AC1 Software A MG 103 ? 4 'BINDING SITE FOR RESIDUE MG A 103'
|
| 543 |
+
AC2 Software B MG 108 ? 2 'BINDING SITE FOR RESIDUE MG B 108'
|
| 544 |
+
AC3 Software B MG 109 ? 1 'BINDING SITE FOR RESIDUE MG B 109'
|
| 545 |
+
AC4 Software B MG 104 ? 2 'BINDING SITE FOR RESIDUE MG B 104'
|
| 546 |
+
AC5 Software B MG 140 ? 6 'BINDING SITE FOR RESIDUE MG B 140'
|
| 547 |
+
#
|
| 548 |
+
loop_
|
| 549 |
+
_struct_site_gen.id
|
| 550 |
+
_struct_site_gen.site_id
|
| 551 |
+
_struct_site_gen.pdbx_num_res
|
| 552 |
+
_struct_site_gen.label_comp_id
|
| 553 |
+
_struct_site_gen.label_asym_id
|
| 554 |
+
_struct_site_gen.label_seq_id
|
| 555 |
+
_struct_site_gen.pdbx_auth_ins_code
|
| 556 |
+
_struct_site_gen.auth_comp_id
|
| 557 |
+
_struct_site_gen.auth_asym_id
|
| 558 |
+
_struct_site_gen.auth_seq_id
|
| 559 |
+
_struct_site_gen.label_atom_id
|
| 560 |
+
_struct_site_gen.label_alt_id
|
| 561 |
+
_struct_site_gen.symmetry
|
| 562 |
+
_struct_site_gen.details
|
| 563 |
+
1 AC1 4 A A 5 ? A A 48 . ? 1_555 ?
|
| 564 |
+
2 AC1 4 U A 9 ? U A 52 . ? 2_665 ?
|
| 565 |
+
3 AC1 4 G B 8 ? G B 2 . ? 1_555 ?
|
| 566 |
+
4 AC1 4 HOH I . ? HOH B 130 . ? 2_665 ?
|
| 567 |
+
5 AC2 2 U B 5 ? U B -2 . ? 1_555 ?
|
| 568 |
+
6 AC2 2 HOH I . ? HOH B 137 . ? 1_555 ?
|
| 569 |
+
7 AC3 1 A B 10 ? A B 4 . ? 1_555 ?
|
| 570 |
+
8 AC4 2 C B 1 ? C B -6 . ? 1_665 ?
|
| 571 |
+
9 AC4 2 C B 11 ? C B 5 . ? 1_555 ?
|
| 572 |
+
10 AC5 6 U A 3 ? U A 46 . ? 1_555 ?
|
| 573 |
+
11 AC5 6 G A 4 ? G A 47 . ? 1_555 ?
|
| 574 |
+
12 AC5 6 G B 8 ? G B 2 . ? 1_555 ?
|
| 575 |
+
13 AC5 6 A B 9 ? A B 3 . ? 1_555 ?
|
| 576 |
+
14 AC5 6 A B 10 ? A B 4 . ? 1_555 ?
|
| 577 |
+
15 AC5 6 HOH I . ? HOH B 112 . ? 1_555 ?
|
| 578 |
+
#
|
| 579 |
+
_database_PDB_matrix.entry_id 3FS0
|
| 580 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 581 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 582 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 583 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 584 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 585 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 586 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 587 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 588 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 589 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 590 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 591 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 592 |
+
#
|
| 593 |
+
_atom_sites.entry_id 3FS0
|
| 594 |
+
_atom_sites.fract_transf_matrix[1][1] 0.033289
|
| 595 |
+
_atom_sites.fract_transf_matrix[1][2] 0.019219
|
| 596 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 597 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 598 |
+
_atom_sites.fract_transf_matrix[2][2] 0.038439
|
| 599 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 600 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 601 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 602 |
+
_atom_sites.fract_transf_matrix[3][3] 0.016760
|
| 603 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 604 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 605 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 606 |
+
#
|
| 607 |
+
loop_
|
| 608 |
+
_atom_type.symbol
|
| 609 |
+
C
|
| 610 |
+
MG
|
| 611 |
+
N
|
| 612 |
+
O
|
| 613 |
+
P
|
| 614 |
+
#
|
| 615 |
+
loop_
|
| 616 |
+
_atom_site.group_PDB
|
| 617 |
+
_atom_site.id
|
| 618 |
+
_atom_site.type_symbol
|
| 619 |
+
_atom_site.label_atom_id
|
| 620 |
+
_atom_site.label_alt_id
|
| 621 |
+
_atom_site.label_comp_id
|
| 622 |
+
_atom_site.label_asym_id
|
| 623 |
+
_atom_site.label_entity_id
|
| 624 |
+
_atom_site.label_seq_id
|
| 625 |
+
_atom_site.pdbx_PDB_ins_code
|
| 626 |
+
_atom_site.Cartn_x
|
| 627 |
+
_atom_site.Cartn_y
|
| 628 |
+
_atom_site.Cartn_z
|
| 629 |
+
_atom_site.occupancy
|
| 630 |
+
_atom_site.B_iso_or_equiv
|
| 631 |
+
_atom_site.pdbx_formal_charge
|
| 632 |
+
_atom_site.auth_seq_id
|
| 633 |
+
_atom_site.auth_comp_id
|
| 634 |
+
_atom_site.auth_asym_id
|
| 635 |
+
_atom_site.auth_atom_id
|
| 636 |
+
_atom_site.pdbx_PDB_model_num
|
| 637 |
+
ATOM 1 O "O5'" . G A 1 1 ? 10.528 29.374 38.902 1.00 53.70 ? 44 G A "O5'" 1
|
| 638 |
+
ATOM 2 C "C5'" . G A 1 1 ? 11.034 28.785 37.700 1.00 48.27 ? 44 G A "C5'" 1
|
| 639 |
+
ATOM 3 C "C4'" . G A 1 1 ? 12.501 28.450 37.819 1.00 45.50 ? 44 G A "C4'" 1
|
| 640 |
+
ATOM 4 O "O4'" . G A 1 1 ? 13.211 29.620 38.300 1.00 43.55 ? 44 G A "O4'" 1
|
| 641 |
+
ATOM 5 C "C3'" . G A 1 1 ? 12.856 27.362 38.822 1.00 43.69 ? 44 G A "C3'" 1
|
| 642 |
+
ATOM 6 O "O3'" . G A 1 1 ? 12.738 26.068 38.246 1.00 45.27 ? 44 G A "O3'" 1
|
| 643 |
+
ATOM 7 C "C2'" . G A 1 1 ? 14.306 27.690 39.139 1.00 43.35 ? 44 G A "C2'" 1
|
| 644 |
+
ATOM 8 O "O2'" . G A 1 1 ? 15.205 27.263 38.136 1.00 38.52 ? 44 G A "O2'" 1
|
| 645 |
+
ATOM 9 C "C1'" . G A 1 1 ? 14.262 29.218 39.166 1.00 44.07 ? 44 G A "C1'" 1
|
| 646 |
+
ATOM 10 N N9 . G A 1 1 ? 13.999 29.751 40.503 1.00 44.09 ? 44 G A N9 1
|
| 647 |
+
ATOM 11 C C8 . G A 1 1 ? 12.887 30.443 40.920 1.00 44.29 ? 44 G A C8 1
|
| 648 |
+
ATOM 12 N N7 . G A 1 1 ? 12.947 30.803 42.174 1.00 44.87 ? 44 G A N7 1
|
| 649 |
+
ATOM 13 C C5 . G A 1 1 ? 14.168 30.314 42.615 1.00 42.97 ? 44 G A C5 1
|
| 650 |
+
ATOM 14 C C6 . G A 1 1 ? 14.780 30.396 43.890 1.00 41.91 ? 44 G A C6 1
|
| 651 |
+
ATOM 15 O O6 . G A 1 1 ? 14.352 30.935 44.913 1.00 41.96 ? 44 G A O6 1
|
| 652 |
+
ATOM 16 N N1 . G A 1 1 ? 16.020 29.768 43.903 1.00 42.53 ? 44 G A N1 1
|
| 653 |
+
ATOM 17 C C2 . G A 1 1 ? 16.599 29.141 42.826 1.00 41.89 ? 44 G A C2 1
|
| 654 |
+
ATOM 18 N N2 . G A 1 1 ? 17.809 28.597 43.034 1.00 42.31 ? 44 G A N2 1
|
| 655 |
+
ATOM 19 N N3 . G A 1 1 ? 16.035 29.053 41.632 1.00 40.99 ? 44 G A N3 1
|
| 656 |
+
ATOM 20 C C4 . G A 1 1 ? 14.830 29.661 41.598 1.00 42.20 ? 44 G A C4 1
|
| 657 |
+
ATOM 21 P P . G A 1 2 ? 12.431 24.802 39.185 1.00 44.65 ? 45 G A P 1
|
| 658 |
+
ATOM 22 O OP1 . G A 1 2 ? 12.327 23.597 38.323 1.00 47.25 ? 45 G A OP1 1
|
| 659 |
+
ATOM 23 O OP2 . G A 1 2 ? 11.284 25.180 40.056 1.00 46.07 ? 45 G A OP2 1
|
| 660 |
+
ATOM 24 O "O5'" . G A 1 2 ? 13.741 24.637 40.075 1.00 44.41 ? 45 G A "O5'" 1
|
| 661 |
+
ATOM 25 C "C5'" . G A 1 2 ? 14.947 24.118 39.509 1.00 43.65 ? 45 G A "C5'" 1
|
| 662 |
+
ATOM 26 C "C4'" . G A 1 2 ? 15.996 23.932 40.578 1.00 43.47 ? 45 G A "C4'" 1
|
| 663 |
+
ATOM 27 O "O4'" . G A 1 2 ? 16.248 25.211 41.217 1.00 44.84 ? 45 G A "O4'" 1
|
| 664 |
+
ATOM 28 C "C3'" . G A 1 2 ? 15.618 23.017 41.732 1.00 45.15 ? 45 G A "C3'" 1
|
| 665 |
+
ATOM 29 O "O3'" . G A 1 2 ? 15.843 21.647 41.393 1.00 46.44 ? 45 G A "O3'" 1
|
| 666 |
+
ATOM 30 C "C2'" . G A 1 2 ? 16.541 23.505 42.848 1.00 43.14 ? 45 G A "C2'" 1
|
| 667 |
+
ATOM 31 O "O2'" . G A 1 2 ? 17.866 23.024 42.743 1.00 43.60 ? 45 G A "O2'" 1
|
| 668 |
+
ATOM 32 C "C1'" . G A 1 2 ? 16.560 25.009 42.586 1.00 43.39 ? 45 G A "C1'" 1
|
| 669 |
+
ATOM 33 N N9 . G A 1 2 ? 15.622 25.781 43.401 1.00 43.98 ? 45 G A N9 1
|
| 670 |
+
ATOM 34 C C8 . G A 1 2 ? 14.425 26.331 43.009 1.00 43.42 ? 45 G A C8 1
|
| 671 |
+
ATOM 35 N N7 . G A 1 2 ? 13.833 27.003 43.957 1.00 42.38 ? 45 G A N7 1
|
| 672 |
+
ATOM 36 C C5 . G A 1 2 ? 14.684 26.879 45.047 1.00 43.34 ? 45 G A C5 1
|
| 673 |
+
ATOM 37 C C6 . G A 1 2 ? 14.569 27.396 46.368 1.00 43.40 ? 45 G A C6 1
|
| 674 |
+
ATOM 38 O O6 . G A 1 2 ? 13.659 28.088 46.851 1.00 39.87 ? 45 G A O6 1
|
| 675 |
+
ATOM 39 N N1 . G A 1 2 ? 15.656 27.026 47.155 1.00 44.20 ? 45 G A N1 1
|
| 676 |
+
ATOM 40 C C2 . G A 1 2 ? 16.715 26.251 46.731 1.00 47.43 ? 45 G A C2 1
|
| 677 |
+
ATOM 41 N N2 . G A 1 2 ? 17.668 25.987 47.644 1.00 48.35 ? 45 G A N2 1
|
| 678 |
+
ATOM 42 N N3 . G A 1 2 ? 16.833 25.767 45.504 1.00 46.12 ? 45 G A N3 1
|
| 679 |
+
ATOM 43 C C4 . G A 1 2 ? 15.789 26.120 44.722 1.00 44.58 ? 45 G A C4 1
|
| 680 |
+
ATOM 44 P P . U A 1 3 ? 14.849 20.514 41.958 1.00 46.36 ? 46 U A P 1
|
| 681 |
+
ATOM 45 O OP1 . U A 1 3 ? 15.216 19.211 41.346 1.00 46.32 ? 46 U A OP1 1
|
| 682 |
+
ATOM 46 O OP2 . U A 1 3 ? 13.453 21.020 41.829 1.00 41.68 ? 46 U A OP2 1
|
| 683 |
+
ATOM 47 O "O5'" . U A 1 3 ? 15.211 20.445 43.510 1.00 47.24 ? 46 U A "O5'" 1
|
| 684 |
+
ATOM 48 C "C5'" . U A 1 3 ? 16.511 20.048 43.949 1.00 47.87 ? 46 U A "C5'" 1
|
| 685 |
+
ATOM 49 C "C4'" . U A 1 3 ? 16.641 20.228 45.450 1.00 50.53 ? 46 U A "C4'" 1
|
| 686 |
+
ATOM 50 O "O4'" . U A 1 3 ? 16.629 21.642 45.780 1.00 52.46 ? 46 U A "O4'" 1
|
| 687 |
+
ATOM 51 C "C3'" . U A 1 3 ? 15.516 19.650 46.295 1.00 50.90 ? 46 U A "C3'" 1
|
| 688 |
+
ATOM 52 O "O3'" . U A 1 3 ? 15.699 18.252 46.499 1.00 49.40 ? 46 U A "O3'" 1
|
| 689 |
+
ATOM 53 C "C2'" . U A 1 3 ? 15.628 20.452 47.593 1.00 52.58 ? 46 U A "C2'" 1
|
| 690 |
+
ATOM 54 O "O2'" . U A 1 3 ? 16.571 19.959 48.526 1.00 53.79 ? 46 U A "O2'" 1
|
| 691 |
+
ATOM 55 C "C1'" . U A 1 3 ? 16.088 21.820 47.079 1.00 51.57 ? 46 U A "C1'" 1
|
| 692 |
+
ATOM 56 N N1 . U A 1 3 ? 15.000 22.810 47.028 1.00 50.84 ? 46 U A N1 1
|
| 693 |
+
ATOM 57 C C2 . U A 1 3 ? 14.834 23.612 48.141 1.00 49.84 ? 46 U A C2 1
|
| 694 |
+
ATOM 58 O O2 . U A 1 3 ? 15.571 23.554 49.115 1.00 52.38 ? 46 U A O2 1
|
| 695 |
+
ATOM 59 N N3 . U A 1 3 ? 13.781 24.488 48.076 1.00 48.11 ? 46 U A N3 1
|
| 696 |
+
ATOM 60 C C4 . U A 1 3 ? 12.896 24.651 47.038 1.00 48.66 ? 46 U A C4 1
|
| 697 |
+
ATOM 61 O O4 . U A 1 3 ? 11.972 25.465 47.155 1.00 47.80 ? 46 U A O4 1
|
| 698 |
+
ATOM 62 C C5 . U A 1 3 ? 13.141 23.802 45.909 1.00 48.95 ? 46 U A C5 1
|
| 699 |
+
ATOM 63 C C6 . U A 1 3 ? 14.161 22.931 45.941 1.00 49.54 ? 46 U A C6 1
|
| 700 |
+
ATOM 64 P P . G A 1 4 ? 14.428 17.269 46.464 1.00 50.36 ? 47 G A P 1
|
| 701 |
+
ATOM 65 O OP1 . G A 1 4 ? 14.921 15.897 46.778 1.00 50.83 ? 47 G A OP1 1
|
| 702 |
+
ATOM 66 O OP2 . G A 1 4 ? 13.699 17.506 45.192 1.00 47.03 ? 47 G A OP2 1
|
| 703 |
+
ATOM 67 O "O5'" . G A 1 4 ? 13.508 17.779 47.670 1.00 48.59 ? 47 G A "O5'" 1
|
| 704 |
+
ATOM 68 C "C5'" . G A 1 4 ? 14.005 17.806 49.014 1.00 46.61 ? 47 G A "C5'" 1
|
| 705 |
+
ATOM 69 C "C4'" . G A 1 4 ? 12.889 18.097 50.007 1.00 45.15 ? 47 G A "C4'" 1
|
| 706 |
+
ATOM 70 O "O4'" . G A 1 4 ? 12.365 19.440 49.807 1.00 44.82 ? 47 G A "O4'" 1
|
| 707 |
+
ATOM 71 C "C3'" . G A 1 4 ? 11.704 17.143 49.810 1.00 44.73 ? 47 G A "C3'" 1
|
| 708 |
+
ATOM 72 O "O3'" . G A 1 4 ? 11.161 16.794 51.086 1.00 48.35 ? 47 G A "O3'" 1
|
| 709 |
+
ATOM 73 C "C2'" . G A 1 4 ? 10.706 17.922 48.949 1.00 44.03 ? 47 G A "C2'" 1
|
| 710 |
+
ATOM 74 O "O2'" . G A 1 4 ? 9.350 17.676 49.249 1.00 40.52 ? 47 G A "O2'" 1
|
| 711 |
+
ATOM 75 C "C1'" . G A 1 4 ? 11.038 19.352 49.369 1.00 43.14 ? 47 G A "C1'" 1
|
| 712 |
+
ATOM 76 N N9 . G A 1 4 ? 10.630 20.522 48.602 1.00 43.95 ? 47 G A N9 1
|
| 713 |
+
ATOM 77 C C8 . G A 1 4 ? 9.870 21.558 49.087 1.00 44.72 ? 47 G A C8 1
|
| 714 |
+
ATOM 78 N N7 . G A 1 4 ? 9.536 22.423 48.174 1.00 45.22 ? 47 G A N7 1
|
| 715 |
+
ATOM 79 C C5 . G A 1 4 ? 10.135 21.946 47.019 1.00 45.38 ? 47 G A C5 1
|
| 716 |
+
ATOM 80 C C6 . G A 1 4 ? 10.113 22.461 45.714 1.00 45.40 ? 47 G A C6 1
|
| 717 |
+
ATOM 81 O O6 . G A 1 4 ? 9.533 23.467 45.298 1.00 48.81 ? 47 G A O6 1
|
| 718 |
+
ATOM 82 N N1 . G A 1 4 ? 10.861 21.677 44.843 1.00 46.30 ? 47 G A N1 1
|
| 719 |
+
ATOM 83 C C2 . G A 1 4 ? 11.543 20.536 45.192 1.00 45.10 ? 47 G A C2 1
|
| 720 |
+
ATOM 84 N N2 . G A 1 4 ? 12.219 19.925 44.207 1.00 43.99 ? 47 G A N2 1
|
| 721 |
+
ATOM 85 N N3 . G A 1 4 ? 11.562 20.036 46.416 1.00 44.49 ? 47 G A N3 1
|
| 722 |
+
ATOM 86 C C4 . G A 1 4 ? 10.840 20.787 47.273 1.00 44.46 ? 47 G A C4 1
|
| 723 |
+
ATOM 87 P P . A A 1 5 ? 11.088 15.270 51.581 1.00 49.22 ? 48 A A P 1
|
| 724 |
+
ATOM 88 O OP1 . A A 1 5 ? 12.399 14.938 52.204 1.00 45.08 ? 48 A A OP1 1
|
| 725 |
+
ATOM 89 O OP2 . A A 1 5 ? 10.552 14.421 50.474 1.00 48.55 ? 48 A A OP2 1
|
| 726 |
+
ATOM 90 O "O5'" . A A 1 5 ? 9.999 15.356 52.745 1.00 45.33 ? 48 A A "O5'" 1
|
| 727 |
+
ATOM 91 C "C5'" . A A 1 5 ? 8.621 15.599 52.449 1.00 43.31 ? 48 A A "C5'" 1
|
| 728 |
+
ATOM 92 C "C4'" . A A 1 5 ? 7.967 16.411 53.550 1.00 41.54 ? 48 A A "C4'" 1
|
| 729 |
+
ATOM 93 O "O4'" . A A 1 5 ? 8.418 17.799 53.482 1.00 40.25 ? 48 A A "O4'" 1
|
| 730 |
+
ATOM 94 C "C3'" . A A 1 5 ? 6.458 16.522 53.424 1.00 40.94 ? 48 A A "C3'" 1
|
| 731 |
+
ATOM 95 O "O3'" . A A 1 5 ? 5.798 15.403 53.982 1.00 42.15 ? 48 A A "O3'" 1
|
| 732 |
+
ATOM 96 C "C2'" . A A 1 5 ? 6.164 17.791 54.206 1.00 43.22 ? 48 A A "C2'" 1
|
| 733 |
+
ATOM 97 O "O2'" . A A 1 5 ? 6.164 17.598 55.608 1.00 43.88 ? 48 A A "O2'" 1
|
| 734 |
+
ATOM 98 C "C1'" . A A 1 5 ? 7.332 18.677 53.769 1.00 40.71 ? 48 A A "C1'" 1
|
| 735 |
+
ATOM 99 N N9 . A A 1 5 ? 6.983 19.423 52.550 1.00 40.47 ? 48 A A N9 1
|
| 736 |
+
ATOM 100 C C8 . A A 1 5 ? 7.483 19.254 51.285 1.00 39.60 ? 48 A A C8 1
|
| 737 |
+
ATOM 101 N N7 . A A 1 5 ? 6.924 20.028 50.385 1.00 38.88 ? 48 A A N7 1
|
| 738 |
+
ATOM 102 C C5 . A A 1 5 ? 6.003 20.770 51.109 1.00 39.15 ? 48 A A C5 1
|
| 739 |
+
ATOM 103 C C6 . A A 1 5 ? 5.088 21.783 50.729 1.00 39.43 ? 48 A A C6 1
|
| 740 |
+
ATOM 104 N N6 . A A 1 5 ? 4.944 22.226 49.473 1.00 37.66 ? 48 A A N6 1
|
| 741 |
+
ATOM 105 N N1 . A A 1 5 ? 4.320 22.329 51.697 1.00 37.98 ? 48 A A N1 1
|
| 742 |
+
ATOM 106 C C2 . A A 1 5 ? 4.468 21.883 52.952 1.00 38.94 ? 48 A A C2 1
|
| 743 |
+
ATOM 107 N N3 . A A 1 5 ? 5.290 20.942 53.428 1.00 38.10 ? 48 A A N3 1
|
| 744 |
+
ATOM 108 C C4 . A A 1 5 ? 6.038 20.420 52.445 1.00 38.56 ? 48 A A C4 1
|
| 745 |
+
ATOM 109 P P . G A 1 6 ? 4.738 14.593 53.093 1.00 45.67 ? 49 G A P 1
|
| 746 |
+
ATOM 110 O OP1 . G A 1 6 ? 4.095 13.537 53.919 1.00 47.40 ? 49 G A OP1 1
|
| 747 |
+
ATOM 111 O OP2 . G A 1 6 ? 5.455 14.214 51.854 1.00 44.85 ? 49 G A OP2 1
|
| 748 |
+
ATOM 112 O "O5'" . G A 1 6 ? 3.618 15.670 52.744 1.00 42.44 ? 49 G A "O5'" 1
|
| 749 |
+
ATOM 113 C "C5'" . G A 1 6 ? 2.846 16.273 53.774 1.00 41.51 ? 49 G A "C5'" 1
|
| 750 |
+
ATOM 114 C "C4'" . G A 1 6 ? 2.099 17.469 53.234 1.00 42.04 ? 49 G A "C4'" 1
|
| 751 |
+
ATOM 115 O "O4'" . G A 1 6 ? 3.059 18.374 52.625 1.00 44.29 ? 49 G A "O4'" 1
|
| 752 |
+
ATOM 116 C "C3'" . G A 1 6 ? 1.117 17.180 52.114 1.00 41.94 ? 49 G A "C3'" 1
|
| 753 |
+
ATOM 117 O "O3'" . G A 1 6 ? -0.149 16.762 52.614 1.00 43.62 ? 49 G A "O3'" 1
|
| 754 |
+
ATOM 118 C "C2'" . G A 1 6 ? 1.034 18.526 51.407 1.00 42.93 ? 49 G A "C2'" 1
|
| 755 |
+
ATOM 119 O "O2'" . G A 1 6 ? 0.216 19.468 52.071 1.00 42.95 ? 49 G A "O2'" 1
|
| 756 |
+
ATOM 120 C "C1'" . G A 1 6 ? 2.488 18.981 51.475 1.00 41.45 ? 49 G A "C1'" 1
|
| 757 |
+
ATOM 121 N N9 . G A 1 6 ? 3.276 18.602 50.300 1.00 38.55 ? 49 G A N9 1
|
| 758 |
+
ATOM 122 C C8 . G A 1 6 ? 4.325 17.715 50.249 1.00 38.02 ? 49 G A C8 1
|
| 759 |
+
ATOM 123 N N7 . G A 1 6 ? 4.851 17.611 49.057 1.00 35.83 ? 49 G A N7 1
|
| 760 |
+
ATOM 124 C C5 . G A 1 6 ? 4.098 18.474 48.271 1.00 34.33 ? 49 G A C5 1
|
| 761 |
+
ATOM 125 C C6 . G A 1 6 ? 4.196 18.775 46.892 1.00 33.61 ? 49 G A C6 1
|
| 762 |
+
ATOM 126 O O6 . G A 1 6 ? 4.993 18.317 46.066 1.00 28.50 ? 49 G A O6 1
|
| 763 |
+
ATOM 127 N N1 . G A 1 6 ? 3.235 19.709 46.500 1.00 32.65 ? 49 G A N1 1
|
| 764 |
+
ATOM 128 C C2 . G A 1 6 ? 2.296 20.277 47.338 1.00 33.25 ? 49 G A C2 1
|
| 765 |
+
ATOM 129 N N2 . G A 1 6 ? 1.451 21.174 46.794 1.00 30.97 ? 49 G A N2 1
|
| 766 |
+
ATOM 130 N N3 . G A 1 6 ? 2.192 19.990 48.620 1.00 32.38 ? 49 G A N3 1
|
| 767 |
+
ATOM 131 C C4 . G A 1 6 ? 3.118 19.090 49.019 1.00 34.82 ? 49 G A C4 1
|
| 768 |
+
ATOM 132 P P . G A 1 7 ? -1.132 15.908 51.671 1.00 44.13 ? 50 G A P 1
|
| 769 |
+
ATOM 133 O OP1 . G A 1 7 ? -2.319 15.478 52.449 1.00 44.60 ? 50 G A OP1 1
|
| 770 |
+
ATOM 134 O OP2 . G A 1 7 ? -0.299 14.883 50.977 1.00 43.91 ? 50 G A OP2 1
|
| 771 |
+
ATOM 135 O "O5'" . G A 1 7 ? -1.610 16.969 50.587 1.00 41.70 ? 50 G A "O5'" 1
|
| 772 |
+
ATOM 136 C "C5'" . G A 1 7 ? -2.428 18.070 50.951 1.00 41.91 ? 50 G A "C5'" 1
|
| 773 |
+
ATOM 137 C "C4'" . G A 1 7 ? -2.908 18.786 49.712 1.00 40.47 ? 50 G A "C4'" 1
|
| 774 |
+
ATOM 138 O "O4'" . G A 1 7 ? -1.768 19.399 49.053 1.00 40.74 ? 50 G A "O4'" 1
|
| 775 |
+
ATOM 139 C "C3'" . G A 1 7 ? -3.484 17.893 48.625 1.00 40.94 ? 50 G A "C3'" 1
|
| 776 |
+
ATOM 140 O "O3'" . G A 1 7 ? -4.833 17.499 48.856 1.00 42.27 ? 50 G A "O3'" 1
|
| 777 |
+
ATOM 141 C "C2'" . G A 1 7 ? -3.338 18.773 47.399 1.00 38.61 ? 50 G A "C2'" 1
|
| 778 |
+
ATOM 142 O "O2'" . G A 1 7 ? -4.302 19.812 47.335 1.00 38.62 ? 50 G A "O2'" 1
|
| 779 |
+
ATOM 143 C "C1'" . G A 1 7 ? -1.957 19.370 47.647 1.00 36.80 ? 50 G A "C1'" 1
|
| 780 |
+
ATOM 144 N N9 . G A 1 7 ? -0.881 18.596 47.029 1.00 34.66 ? 50 G A N9 1
|
| 781 |
+
ATOM 145 C C8 . G A 1 7 ? -0.007 17.715 47.629 1.00 32.67 ? 50 G A C8 1
|
| 782 |
+
ATOM 146 N N7 . G A 1 7 ? 0.865 17.212 46.797 1.00 29.26 ? 50 G A N7 1
|
| 783 |
+
ATOM 147 C C5 . G A 1 7 ? 0.543 17.786 45.573 1.00 31.04 ? 50 G A C5 1
|
| 784 |
+
ATOM 148 C C6 . G A 1 7 ? 1.144 17.632 44.282 1.00 31.03 ? 50 G A C6 1
|
| 785 |
+
ATOM 149 O O6 . G A 1 7 ? 2.117 16.938 43.959 1.00 28.79 ? 50 G A O6 1
|
| 786 |
+
ATOM 150 N N1 . G A 1 7 ? 0.491 18.401 43.318 1.00 30.29 ? 50 G A N1 1
|
| 787 |
+
ATOM 151 C C2 . G A 1 7 ? -0.599 19.213 43.555 1.00 31.14 ? 50 G A C2 1
|
| 788 |
+
ATOM 152 N N2 . G A 1 7 ? -1.104 19.872 42.501 1.00 26.68 ? 50 G A N2 1
|
| 789 |
+
ATOM 153 N N3 . G A 1 7 ? -1.157 19.367 44.744 1.00 31.38 ? 50 G A N3 1
|
| 790 |
+
ATOM 154 C C4 . G A 1 7 ? -0.539 18.632 45.699 1.00 31.65 ? 50 G A C4 1
|
| 791 |
+
ATOM 155 P P . C A 1 8 ? -5.348 16.091 48.277 1.00 45.06 ? 51 C A P 1
|
| 792 |
+
ATOM 156 O OP1 . C A 1 8 ? -6.763 15.898 48.717 1.00 45.93 ? 51 C A OP1 1
|
| 793 |
+
ATOM 157 O OP2 . C A 1 8 ? -4.324 15.056 48.615 1.00 45.72 ? 51 C A OP2 1
|
| 794 |
+
ATOM 158 O "O5'" . C A 1 8 ? -5.295 16.292 46.694 1.00 46.42 ? 51 C A "O5'" 1
|
| 795 |
+
ATOM 159 C "C5'" . C A 1 8 ? -6.202 17.170 46.025 1.00 45.40 ? 51 C A "C5'" 1
|
| 796 |
+
ATOM 160 C "C4'" . C A 1 8 ? -5.898 17.216 44.540 1.00 45.14 ? 51 C A "C4'" 1
|
| 797 |
+
ATOM 161 O "O4'" . C A 1 8 ? -4.532 17.692 44.362 1.00 45.11 ? 51 C A "O4'" 1
|
| 798 |
+
ATOM 162 C "C3'" . C A 1 8 ? -5.917 15.892 43.779 1.00 44.32 ? 51 C A "C3'" 1
|
| 799 |
+
ATOM 163 O "O3'" . C A 1 8 ? -7.224 15.497 43.368 1.00 42.26 ? 51 C A "O3'" 1
|
| 800 |
+
ATOM 164 C "C2'" . C A 1 8 ? -5.046 16.217 42.572 1.00 45.82 ? 51 C A "C2'" 1
|
| 801 |
+
ATOM 165 O "O2'" . C A 1 8 ? -5.734 16.954 41.574 1.00 46.79 ? 51 C A "O2'" 1
|
| 802 |
+
ATOM 166 C "C1'" . C A 1 8 ? -3.959 17.084 43.214 1.00 45.00 ? 51 C A "C1'" 1
|
| 803 |
+
ATOM 167 N N1 . C A 1 8 ? -2.793 16.285 43.632 1.00 43.59 ? 51 C A N1 1
|
| 804 |
+
ATOM 168 C C2 . C A 1 8 ? -1.866 15.882 42.657 1.00 44.30 ? 51 C A C2 1
|
| 805 |
+
ATOM 169 O O2 . C A 1 8 ? -2.050 16.221 41.475 1.00 46.73 ? 51 C A O2 1
|
| 806 |
+
ATOM 170 N N3 . C A 1 8 ? -0.800 15.132 43.027 1.00 41.93 ? 51 C A N3 1
|
| 807 |
+
ATOM 171 C C4 . C A 1 8 ? -0.639 14.785 44.307 1.00 41.91 ? 51 C A C4 1
|
| 808 |
+
ATOM 172 N N4 . C A 1 8 ? 0.415 14.040 44.624 1.00 39.36 ? 51 C A N4 1
|
| 809 |
+
ATOM 173 C C5 . C A 1 8 ? -1.559 15.185 45.318 1.00 42.68 ? 51 C A C5 1
|
| 810 |
+
ATOM 174 C C6 . C A 1 8 ? -2.612 15.929 44.940 1.00 43.31 ? 51 C A C6 1
|
| 811 |
+
ATOM 175 P P . U A 1 9 ? -7.558 13.929 43.140 1.00 43.72 ? 52 U A P 1
|
| 812 |
+
ATOM 176 O OP1 . U A 1 9 ? -9.029 13.808 42.945 1.00 43.25 ? 52 U A OP1 1
|
| 813 |
+
ATOM 177 O OP2 . U A 1 9 ? -6.889 13.109 44.192 1.00 42.03 ? 52 U A OP2 1
|
| 814 |
+
ATOM 178 O "O5'" . U A 1 9 ? -6.829 13.563 41.770 1.00 43.47 ? 52 U A "O5'" 1
|
| 815 |
+
ATOM 179 C "C5'" . U A 1 9 ? -7.252 14.124 40.535 1.00 40.31 ? 52 U A "C5'" 1
|
| 816 |
+
ATOM 180 C "C4'" . U A 1 9 ? -6.338 13.674 39.424 1.00 42.57 ? 52 U A "C4'" 1
|
| 817 |
+
ATOM 181 O "O4'" . U A 1 9 ? -4.989 14.184 39.658 1.00 39.92 ? 52 U A "O4'" 1
|
| 818 |
+
ATOM 182 C "C3'" . U A 1 9 ? -6.121 12.175 39.327 1.00 42.77 ? 52 U A "C3'" 1
|
| 819 |
+
ATOM 183 O "O3'" . U A 1 9 ? -7.199 11.497 38.706 1.00 46.34 ? 52 U A "O3'" 1
|
| 820 |
+
ATOM 184 C "C2'" . U A 1 9 ? -4.831 12.124 38.523 1.00 42.98 ? 52 U A "C2'" 1
|
| 821 |
+
ATOM 185 O "O2'" . U A 1 9 ? -5.004 12.482 37.163 1.00 43.58 ? 52 U A "O2'" 1
|
| 822 |
+
ATOM 186 C "C1'" . U A 1 9 ? -4.033 13.223 39.222 1.00 41.04 ? 52 U A "C1'" 1
|
| 823 |
+
ATOM 187 N N1 . U A 1 9 ? -3.296 12.709 40.393 1.00 38.82 ? 52 U A N1 1
|
| 824 |
+
ATOM 188 C C2 . U A 1 9 ? -2.082 12.085 40.167 1.00 37.16 ? 52 U A C2 1
|
| 825 |
+
ATOM 189 O O2 . U A 1 9 ? -1.605 11.936 39.055 1.00 37.64 ? 52 U A O2 1
|
| 826 |
+
ATOM 190 N N3 . U A 1 9 ? -1.444 11.637 41.292 1.00 36.81 ? 52 U A N3 1
|
| 827 |
+
ATOM 191 C C4 . U A 1 9 ? -1.877 11.745 42.598 1.00 39.21 ? 52 U A C4 1
|
| 828 |
+
ATOM 192 O O4 . U A 1 9 ? -1.167 11.313 43.512 1.00 38.01 ? 52 U A O4 1
|
| 829 |
+
ATOM 193 C C5 . U A 1 9 ? -3.142 12.391 42.752 1.00 38.64 ? 52 U A C5 1
|
| 830 |
+
ATOM 194 C C6 . U A 1 9 ? -3.792 12.839 41.672 1.00 39.27 ? 52 U A C6 1
|
| 831 |
+
ATOM 195 P P . G A 1 10 ? -7.494 9.963 39.091 1.00 50.76 ? 53 G A P 1
|
| 832 |
+
ATOM 196 O OP1 . G A 1 10 ? -8.777 9.575 38.457 1.00 51.92 ? 53 G A OP1 1
|
| 833 |
+
ATOM 197 O OP2 . G A 1 10 ? -7.307 9.769 40.555 1.00 50.66 ? 53 G A OP2 1
|
| 834 |
+
ATOM 198 O "O5'" . G A 1 10 ? -6.324 9.155 38.381 1.00 49.19 ? 53 G A "O5'" 1
|
| 835 |
+
ATOM 199 C "C5'" . G A 1 10 ? -6.151 9.218 36.976 1.00 46.80 ? 53 G A "C5'" 1
|
| 836 |
+
ATOM 200 C "C4'" . G A 1 10 ? -4.851 8.564 36.588 1.00 44.69 ? 53 G A "C4'" 1
|
| 837 |
+
ATOM 201 O "O4'" . G A 1 10 ? -3.764 9.243 37.261 1.00 42.26 ? 53 G A "O4'" 1
|
| 838 |
+
ATOM 202 C "C3'" . G A 1 10 ? -4.674 7.118 37.015 1.00 44.08 ? 53 G A "C3'" 1
|
| 839 |
+
ATOM 203 O "O3'" . G A 1 10 ? -5.395 6.161 36.227 1.00 45.92 ? 53 G A "O3'" 1
|
| 840 |
+
ATOM 204 C "C2'" . G A 1 10 ? -3.162 6.961 36.957 1.00 43.61 ? 53 G A "C2'" 1
|
| 841 |
+
ATOM 205 O "O2'" . G A 1 10 ? -2.667 6.759 35.644 1.00 44.66 ? 53 G A "O2'" 1
|
| 842 |
+
ATOM 206 C "C1'" . G A 1 10 ? -2.706 8.327 37.475 1.00 42.74 ? 53 G A "C1'" 1
|
| 843 |
+
ATOM 207 N N9 . G A 1 10 ? -2.368 8.311 38.894 1.00 43.12 ? 53 G A N9 1
|
| 844 |
+
ATOM 208 C C8 . G A 1 10 ? -3.054 8.881 39.944 1.00 42.89 ? 53 G A C8 1
|
| 845 |
+
ATOM 209 N N7 . G A 1 10 ? -2.470 8.691 41.099 1.00 40.95 ? 53 G A N7 1
|
| 846 |
+
ATOM 210 C C5 . G A 1 10 ? -1.337 7.951 40.791 1.00 42.34 ? 53 G A C5 1
|
| 847 |
+
ATOM 211 C C6 . G A 1 10 ? -0.315 7.456 41.624 1.00 43.47 ? 53 G A C6 1
|
| 848 |
+
ATOM 212 O O6 . G A 1 10 ? -0.191 7.578 42.847 1.00 46.30 ? 53 G A O6 1
|
| 849 |
+
ATOM 213 N N1 . G A 1 10 ? 0.639 6.754 40.897 1.00 44.87 ? 53 G A N1 1
|
| 850 |
+
ATOM 214 C C2 . G A 1 10 ? 0.616 6.557 39.537 1.00 42.78 ? 53 G A C2 1
|
| 851 |
+
ATOM 215 N N2 . G A 1 10 ? 1.626 5.842 39.013 1.00 41.50 ? 53 G A N2 1
|
| 852 |
+
ATOM 216 N N3 . G A 1 10 ? -0.325 7.021 38.750 1.00 42.21 ? 53 G A N3 1
|
| 853 |
+
ATOM 217 C C4 . G A 1 10 ? -1.264 7.704 39.437 1.00 43.21 ? 53 G A C4 1
|
| 854 |
+
ATOM 218 O "O5'" . C B 2 1 ? 7.138 4.489 50.258 1.00 58.78 ? -6 C B "O5'" 1
|
| 855 |
+
ATOM 219 C "C5'" . C B 2 1 ? 8.044 3.448 49.868 1.00 57.28 ? -6 C B "C5'" 1
|
| 856 |
+
ATOM 220 C "C4'" . C B 2 1 ? 7.696 2.818 48.536 1.00 56.48 ? -6 C B "C4'" 1
|
| 857 |
+
ATOM 221 O "O4'" . C B 2 1 ? 6.340 2.297 48.580 1.00 53.97 ? -6 C B "O4'" 1
|
| 858 |
+
ATOM 222 C "C3'" . C B 2 1 ? 7.668 3.755 47.338 1.00 55.81 ? -6 C B "C3'" 1
|
| 859 |
+
ATOM 223 O "O3'" . C B 2 1 ? 8.965 3.987 46.814 1.00 55.85 ? -6 C B "O3'" 1
|
| 860 |
+
ATOM 224 C "C2'" . C B 2 1 ? 6.812 2.975 46.353 1.00 55.49 ? -6 C B "C2'" 1
|
| 861 |
+
ATOM 225 O "O2'" . C B 2 1 ? 7.525 1.937 45.708 1.00 56.04 ? -6 C B "O2'" 1
|
| 862 |
+
ATOM 226 C "C1'" . C B 2 1 ? 5.756 2.387 47.288 1.00 53.88 ? -6 C B "C1'" 1
|
| 863 |
+
ATOM 227 N N1 . C B 2 1 ? 4.552 3.233 47.364 1.00 52.35 ? -6 C B N1 1
|
| 864 |
+
ATOM 228 C C2 . C B 2 1 ? 3.535 3.029 46.427 1.00 51.70 ? -6 C B C2 1
|
| 865 |
+
ATOM 229 O O2 . C B 2 1 ? 3.682 2.146 45.562 1.00 49.35 ? -6 C B O2 1
|
| 866 |
+
ATOM 230 N N3 . C B 2 1 ? 2.419 3.793 46.483 1.00 51.41 ? -6 C B N3 1
|
| 867 |
+
ATOM 231 C C4 . C B 2 1 ? 2.297 4.730 47.426 1.00 51.79 ? -6 C B C4 1
|
| 868 |
+
ATOM 232 N N4 . C B 2 1 ? 1.175 5.459 47.443 1.00 50.51 ? -6 C B N4 1
|
| 869 |
+
ATOM 233 C C5 . C B 2 1 ? 3.319 4.963 48.392 1.00 51.88 ? -6 C B C5 1
|
| 870 |
+
ATOM 234 C C6 . C B 2 1 ? 4.420 4.200 48.324 1.00 52.07 ? -6 C B C6 1
|
| 871 |
+
ATOM 235 P P . C B 2 2 ? 9.216 5.253 45.862 1.00 55.67 ? -5 C B P 1
|
| 872 |
+
ATOM 236 O OP1 . C B 2 2 ? 10.683 5.375 45.646 1.00 54.85 ? -5 C B OP1 1
|
| 873 |
+
ATOM 237 O OP2 . C B 2 2 ? 8.453 6.403 46.415 1.00 54.04 ? -5 C B OP2 1
|
| 874 |
+
ATOM 238 O "O5'" . C B 2 2 ? 8.512 4.836 44.495 1.00 55.56 ? -5 C B "O5'" 1
|
| 875 |
+
ATOM 239 C "C5'" . C B 2 2 ? 9.060 3.814 43.666 1.00 55.47 ? -5 C B "C5'" 1
|
| 876 |
+
ATOM 240 C "C4'" . C B 2 2 ? 8.291 3.721 42.366 1.00 54.49 ? -5 C B "C4'" 1
|
| 877 |
+
ATOM 241 O "O4'" . C B 2 2 ? 6.919 3.322 42.648 1.00 53.00 ? -5 C B "O4'" 1
|
| 878 |
+
ATOM 242 C "C3'" . C B 2 2 ? 8.126 5.018 41.585 1.00 54.12 ? -5 C B "C3'" 1
|
| 879 |
+
ATOM 243 O "O3'" . C B 2 2 ? 9.269 5.348 40.805 1.00 55.46 ? -5 C B "O3'" 1
|
| 880 |
+
ATOM 244 C "C2'" . C B 2 2 ? 6.923 4.694 40.715 1.00 53.28 ? -5 C B "C2'" 1
|
| 881 |
+
ATOM 245 O "O2'" . C B 2 2 ? 7.268 3.833 39.644 1.00 52.25 ? -5 C B "O2'" 1
|
| 882 |
+
ATOM 246 C "C1'" . C B 2 2 ? 6.040 3.945 41.717 1.00 50.87 ? -5 C B "C1'" 1
|
| 883 |
+
ATOM 247 N N1 . C B 2 2 ? 5.109 4.828 42.456 1.00 47.29 ? -5 C B N1 1
|
| 884 |
+
ATOM 248 C C2 . C B 2 2 ? 3.917 5.243 41.835 1.00 45.70 ? -5 C B C2 1
|
| 885 |
+
ATOM 249 O O2 . C B 2 2 ? 3.673 4.876 40.676 1.00 43.21 ? -5 C B O2 1
|
| 886 |
+
ATOM 250 N N3 . C B 2 2 ? 3.062 6.035 42.518 1.00 44.10 ? -5 C B N3 1
|
| 887 |
+
ATOM 251 C C4 . C B 2 2 ? 3.358 6.424 43.762 1.00 43.49 ? -5 C B C4 1
|
| 888 |
+
ATOM 252 N N4 . C B 2 2 ? 2.484 7.211 44.401 1.00 40.11 ? -5 C B N4 1
|
| 889 |
+
ATOM 253 C C5 . C B 2 2 ? 4.559 6.028 44.407 1.00 44.15 ? -5 C B C5 1
|
| 890 |
+
ATOM 254 C C6 . C B 2 2 ? 5.395 5.236 43.728 1.00 46.94 ? -5 C B C6 1
|
| 891 |
+
ATOM 255 P P . A B 2 3 ? 9.723 6.888 40.679 1.00 57.52 ? -4 A B P 1
|
| 892 |
+
ATOM 256 O OP1 . A B 2 3 ? 11.054 6.907 40.019 1.00 57.18 ? -4 A B OP1 1
|
| 893 |
+
ATOM 257 O OP2 . A B 2 3 ? 9.550 7.547 42.007 1.00 56.14 ? -4 A B OP2 1
|
| 894 |
+
ATOM 258 O "O5'" . A B 2 3 ? 8.644 7.546 39.704 1.00 54.22 ? -4 A B "O5'" 1
|
| 895 |
+
ATOM 259 C "C5'" . A B 2 3 ? 8.593 7.189 38.328 1.00 48.27 ? -4 A B "C5'" 1
|
| 896 |
+
ATOM 260 C "C4'" . A B 2 3 ? 7.317 7.695 37.691 1.00 43.61 ? -4 A B "C4'" 1
|
| 897 |
+
ATOM 261 O "O4'" . A B 2 3 ? 6.176 7.194 38.441 1.00 40.19 ? -4 A B "O4'" 1
|
| 898 |
+
ATOM 262 C "C3'" . A B 2 3 ? 7.071 9.194 37.702 1.00 41.86 ? -4 A B "C3'" 1
|
| 899 |
+
ATOM 263 O "O3'" . A B 2 3 ? 7.842 9.906 36.735 1.00 40.92 ? -4 A B "O3'" 1
|
| 900 |
+
ATOM 264 C "C2'" . A B 2 3 ? 5.572 9.247 37.426 1.00 40.32 ? -4 A B "C2'" 1
|
| 901 |
+
ATOM 265 O "O2'" . A B 2 3 ? 5.201 8.981 36.083 1.00 39.00 ? -4 A B "O2'" 1
|
| 902 |
+
ATOM 266 C "C1'" . A B 2 3 ? 5.083 8.089 38.291 1.00 39.75 ? -4 A B "C1'" 1
|
| 903 |
+
ATOM 267 N N9 . A B 2 3 ? 4.623 8.536 39.608 1.00 36.32 ? -4 A B N9 1
|
| 904 |
+
ATOM 268 C C8 . A B 2 3 ? 5.258 8.483 40.822 1.00 36.31 ? -4 A B C8 1
|
| 905 |
+
ATOM 269 N N7 . A B 2 3 ? 4.555 8.990 41.807 1.00 36.02 ? -4 A B N7 1
|
| 906 |
+
ATOM 270 C C5 . A B 2 3 ? 3.378 9.399 41.200 1.00 36.91 ? -4 A B C5 1
|
| 907 |
+
ATOM 271 C C6 . A B 2 3 ? 2.217 10.013 41.699 1.00 36.58 ? -4 A B C6 1
|
| 908 |
+
ATOM 272 N N6 . A B 2 3 ? 2.032 10.325 42.975 1.00 35.13 ? -4 A B N6 1
|
| 909 |
+
ATOM 273 N N1 . A B 2 3 ? 1.235 10.295 40.824 1.00 38.85 ? -4 A B N1 1
|
| 910 |
+
ATOM 274 C C2 . A B 2 3 ? 1.410 9.973 39.540 1.00 36.83 ? -4 A B C2 1
|
| 911 |
+
ATOM 275 N N3 . A B 2 3 ? 2.445 9.395 38.952 1.00 35.27 ? -4 A B N3 1
|
| 912 |
+
ATOM 276 C C4 . A B 2 3 ? 3.408 9.129 39.847 1.00 36.40 ? -4 A B C4 1
|
| 913 |
+
ATOM 277 P P . G B 2 4 ? 8.157 11.468 36.974 1.00 43.11 ? -3 G B P 1
|
| 914 |
+
ATOM 278 O OP1 . G B 2 4 ? 9.250 11.892 36.068 1.00 43.26 ? -3 G B OP1 1
|
| 915 |
+
ATOM 279 O OP2 . G B 2 4 ? 8.303 11.683 38.441 1.00 42.37 ? -3 G B OP2 1
|
| 916 |
+
ATOM 280 O "O5'" . G B 2 4 ? 6.822 12.189 36.501 1.00 40.50 ? -3 G B "O5'" 1
|
| 917 |
+
ATOM 281 C "C5'" . G B 2 4 ? 6.258 11.884 35.235 1.00 40.10 ? -3 G B "C5'" 1
|
| 918 |
+
ATOM 282 C "C4'" . G B 2 4 ? 4.890 12.489 35.116 1.00 39.75 ? -3 G B "C4'" 1
|
| 919 |
+
ATOM 283 O "O4'" . G B 2 4 ? 3.980 11.853 36.054 1.00 40.07 ? -3 G B "O4'" 1
|
| 920 |
+
ATOM 284 C "C3'" . G B 2 4 ? 4.814 13.960 35.476 1.00 41.66 ? -3 G B "C3'" 1
|
| 921 |
+
ATOM 285 O "O3'" . G B 2 4 ? 5.261 14.783 34.405 1.00 40.93 ? -3 G B "O3'" 1
|
| 922 |
+
ATOM 286 C "C2'" . G B 2 4 ? 3.333 14.122 35.810 1.00 40.57 ? -3 G B "C2'" 1
|
| 923 |
+
ATOM 287 O "O2'" . G B 2 4 ? 2.511 14.182 34.661 1.00 40.70 ? -3 G B "O2'" 1
|
| 924 |
+
ATOM 288 C "C1'" . G B 2 4 ? 3.055 12.814 36.551 1.00 39.22 ? -3 G B "C1'" 1
|
| 925 |
+
ATOM 289 N N9 . G B 2 4 ? 3.202 12.900 38.006 1.00 38.90 ? -3 G B N9 1
|
| 926 |
+
ATOM 290 C C8 . G B 2 4 ? 4.247 12.431 38.773 1.00 38.69 ? -3 G B C8 1
|
| 927 |
+
ATOM 291 N N7 . G B 2 4 ? 4.058 12.594 40.055 1.00 37.71 ? -3 G B N7 1
|
| 928 |
+
ATOM 292 C C5 . G B 2 4 ? 2.823 13.222 40.143 1.00 37.30 ? -3 G B C5 1
|
| 929 |
+
ATOM 293 C C6 . G B 2 4 ? 2.080 13.639 41.282 1.00 36.62 ? -3 G B C6 1
|
| 930 |
+
ATOM 294 O O6 . G B 2 4 ? 2.369 13.522 42.480 1.00 37.39 ? -3 G B O6 1
|
| 931 |
+
ATOM 295 N N1 . G B 2 4 ? 0.880 14.245 40.917 1.00 35.08 ? -3 G B N1 1
|
| 932 |
+
ATOM 296 C C2 . G B 2 4 ? 0.443 14.421 39.629 1.00 34.00 ? -3 G B C2 1
|
| 933 |
+
ATOM 297 N N2 . G B 2 4 ? -0.745 15.028 39.484 1.00 28.96 ? -3 G B N2 1
|
| 934 |
+
ATOM 298 N N3 . G B 2 4 ? 1.120 14.030 38.560 1.00 35.11 ? -3 G B N3 1
|
| 935 |
+
ATOM 299 C C4 . G B 2 4 ? 2.291 13.440 38.888 1.00 37.34 ? -3 G B C4 1
|
| 936 |
+
ATOM 300 P P . U B 2 5 ? 5.468 16.354 34.653 1.00 42.54 ? -2 U B P 1
|
| 937 |
+
ATOM 301 O OP1 . U B 2 5 ? 5.896 17.013 33.397 1.00 43.86 ? -2 U B OP1 1
|
| 938 |
+
ATOM 302 O OP2 . U B 2 5 ? 6.277 16.531 35.884 1.00 39.75 ? -2 U B OP2 1
|
| 939 |
+
ATOM 303 O "O5'" . U B 2 5 ? 3.988 16.846 34.938 1.00 41.53 ? -2 U B "O5'" 1
|
| 940 |
+
ATOM 304 C "C5'" . U B 2 5 ? 3.733 18.206 35.195 1.00 45.24 ? -2 U B "C5'" 1
|
| 941 |
+
ATOM 305 C "C4'" . U B 2 5 ? 2.409 18.363 35.881 1.00 43.72 ? -2 U B "C4'" 1
|
| 942 |
+
ATOM 306 O "O4'" . U B 2 5 ? 2.118 17.196 36.689 1.00 41.90 ? -2 U B "O4'" 1
|
| 943 |
+
ATOM 307 C "C3'" . U B 2 5 ? 2.425 19.525 36.845 1.00 43.47 ? -2 U B "C3'" 1
|
| 944 |
+
ATOM 308 O "O3'" . U B 2 5 ? 2.140 20.722 36.152 1.00 47.42 ? -2 U B "O3'" 1
|
| 945 |
+
ATOM 309 C "C2'" . U B 2 5 ? 1.388 19.116 37.882 1.00 42.47 ? -2 U B "C2'" 1
|
| 946 |
+
ATOM 310 O "O2'" . U B 2 5 ? 0.049 19.377 37.500 1.00 42.58 ? -2 U B "O2'" 1
|
| 947 |
+
ATOM 311 C "C1'" . U B 2 5 ? 1.624 17.604 37.954 1.00 38.98 ? -2 U B "C1'" 1
|
| 948 |
+
ATOM 312 N N1 . U B 2 5 ? 2.571 17.160 38.995 1.00 34.69 ? -2 U B N1 1
|
| 949 |
+
ATOM 313 C C2 . U B 2 5 ? 2.165 17.232 40.315 1.00 32.06 ? -2 U B C2 1
|
| 950 |
+
ATOM 314 O O2 . U B 2 5 ? 1.081 17.669 40.648 1.00 32.77 ? -2 U B O2 1
|
| 951 |
+
ATOM 315 N N3 . U B 2 5 ? 3.072 16.766 41.229 1.00 28.95 ? -2 U B N3 1
|
| 952 |
+
ATOM 316 C C4 . U B 2 5 ? 4.316 16.250 40.967 1.00 30.87 ? -2 U B C4 1
|
| 953 |
+
ATOM 317 O O4 . U B 2 5 ? 5.024 15.870 41.901 1.00 31.58 ? -2 U B O4 1
|
| 954 |
+
ATOM 318 C C5 . U B 2 5 ? 4.670 16.217 39.586 1.00 30.70 ? -2 U B C5 1
|
| 955 |
+
ATOM 319 C C6 . U B 2 5 ? 3.812 16.666 38.672 1.00 31.89 ? -2 U B C6 1
|
| 956 |
+
ATOM 320 P P . C B 2 6 ? 2.924 22.064 36.543 1.00 51.59 ? -1 C B P 1
|
| 957 |
+
ATOM 321 O OP1 . C B 2 6 ? 2.579 23.087 35.520 1.00 52.45 ? -1 C B OP1 1
|
| 958 |
+
ATOM 322 O OP2 . C B 2 6 ? 4.347 21.689 36.764 1.00 51.88 ? -1 C B OP2 1
|
| 959 |
+
ATOM 323 O "O5'" . C B 2 6 ? 2.258 22.480 37.933 1.00 51.58 ? -1 C B "O5'" 1
|
| 960 |
+
ATOM 324 C "C5'" . C B 2 6 ? 0.845 22.404 38.090 1.00 51.30 ? -1 C B "C5'" 1
|
| 961 |
+
ATOM 325 C "C4'" . C B 2 6 ? 0.404 22.921 39.442 1.00 54.07 ? -1 C B "C4'" 1
|
| 962 |
+
ATOM 326 O "O4'" . C B 2 6 ? 0.733 21.946 40.479 1.00 52.72 ? -1 C B "O4'" 1
|
| 963 |
+
ATOM 327 C "C3'" . C B 2 6 ? 1.145 24.199 39.829 1.00 55.88 ? -1 C B "C3'" 1
|
| 964 |
+
ATOM 328 O "O3'" . C B 2 6 ? 0.371 25.378 40.038 1.00 57.68 ? -1 C B "O3'" 1
|
| 965 |
+
ATOM 329 C "C2'" . C B 2 6 ? 2.242 23.799 40.816 1.00 55.42 ? -1 C B "C2'" 1
|
| 966 |
+
ATOM 330 O "O2'" . C B 2 6 ? 2.280 24.625 41.954 1.00 60.48 ? -1 C B "O2'" 1
|
| 967 |
+
ATOM 331 C "C1'" . C B 2 6 ? 1.703 22.478 41.362 1.00 51.08 ? -1 C B "C1'" 1
|
| 968 |
+
ATOM 332 N N1 . C B 2 6 ? 2.685 21.452 41.777 1.00 45.40 ? -1 C B N1 1
|
| 969 |
+
ATOM 333 C C2 . C B 2 6 ? 2.708 21.048 43.141 1.00 43.28 ? -1 C B C2 1
|
| 970 |
+
ATOM 334 O O2 . C B 2 6 ? 1.876 21.533 43.936 1.00 37.32 ? -1 C B O2 1
|
| 971 |
+
ATOM 335 N N3 . C B 2 6 ? 3.634 20.136 43.547 1.00 38.62 ? -1 C B N3 1
|
| 972 |
+
ATOM 336 C C4 . C B 2 6 ? 4.497 19.620 42.661 1.00 37.78 ? -1 C B C4 1
|
| 973 |
+
ATOM 337 N N4 . C B 2 6 ? 5.378 18.711 43.096 1.00 33.21 ? -1 C B N4 1
|
| 974 |
+
ATOM 338 C C5 . C B 2 6 ? 4.490 20.006 41.283 1.00 37.94 ? -1 C B C5 1
|
| 975 |
+
ATOM 339 C C6 . C B 2 6 ? 3.575 20.913 40.888 1.00 43.44 ? -1 C B C6 1
|
| 976 |
+
ATOM 340 P P . G B 2 7 ? 2.930 26.089 41.873 1.00 65.60 ? 1 G B P 1
|
| 977 |
+
ATOM 341 O OP1 . G B 2 7 ? 4.401 25.926 41.687 1.00 62.52 ? 1 G B OP1 1
|
| 978 |
+
ATOM 342 O OP2 . G B 2 7 ? 2.157 26.914 40.906 1.00 65.86 ? 1 G B OP2 1
|
| 979 |
+
ATOM 343 O "O5'" . G B 2 7 ? 2.648 26.647 43.340 1.00 60.11 ? 1 G B "O5'" 1
|
| 980 |
+
ATOM 344 C "C5'" . G B 2 7 ? 3.692 26.735 44.289 1.00 54.64 ? 1 G B "C5'" 1
|
| 981 |
+
ATOM 345 C "C4'" . G B 2 7 ? 3.444 25.813 45.466 1.00 49.86 ? 1 G B "C4'" 1
|
| 982 |
+
ATOM 346 O "O4'" . G B 2 7 ? 3.235 24.440 45.038 1.00 47.93 ? 1 G B "O4'" 1
|
| 983 |
+
ATOM 347 C "C3'" . G B 2 7 ? 4.656 25.782 46.375 1.00 45.84 ? 1 G B "C3'" 1
|
| 984 |
+
ATOM 348 O "O3'" . G B 2 7 ? 4.468 26.788 47.349 1.00 43.82 ? 1 G B "O3'" 1
|
| 985 |
+
ATOM 349 C "C2'" . G B 2 7 ? 4.617 24.380 46.972 1.00 45.12 ? 1 G B "C2'" 1
|
| 986 |
+
ATOM 350 O "O2'" . G B 2 7 ? 3.774 24.284 48.100 1.00 44.66 ? 1 G B "O2'" 1
|
| 987 |
+
ATOM 351 C "C1'" . G B 2 7 ? 4.052 23.565 45.805 1.00 42.79 ? 1 G B "C1'" 1
|
| 988 |
+
ATOM 352 N N9 . G B 2 7 ? 5.050 22.991 44.901 1.00 41.74 ? 1 G B N9 1
|
| 989 |
+
ATOM 353 C C8 . G B 2 7 ? 5.224 23.319 43.574 1.00 40.14 ? 1 G B C8 1
|
| 990 |
+
ATOM 354 N N7 . G B 2 7 ? 6.155 22.618 42.988 1.00 39.28 ? 1 G B N7 1
|
| 991 |
+
ATOM 355 C C5 . G B 2 7 ? 6.635 21.777 43.984 1.00 37.26 ? 1 G B C5 1
|
| 992 |
+
ATOM 356 C C6 . G B 2 7 ? 7.650 20.778 43.934 1.00 36.89 ? 1 G B C6 1
|
| 993 |
+
ATOM 357 O O6 . G B 2 7 ? 8.331 20.412 42.962 1.00 36.00 ? 1 G B O6 1
|
| 994 |
+
ATOM 358 N N1 . G B 2 7 ? 7.835 20.176 45.177 1.00 34.98 ? 1 G B N1 1
|
| 995 |
+
ATOM 359 C C2 . G B 2 7 ? 7.130 20.481 46.312 1.00 34.07 ? 1 G B C2 1
|
| 996 |
+
ATOM 360 N N2 . G B 2 7 ? 7.464 19.785 47.417 1.00 37.50 ? 1 G B N2 1
|
| 997 |
+
ATOM 361 N N3 . G B 2 7 ? 6.169 21.397 46.369 1.00 36.15 ? 1 G B N3 1
|
| 998 |
+
ATOM 362 C C4 . G B 2 7 ? 5.978 22.003 45.178 1.00 38.11 ? 1 G B C4 1
|
| 999 |
+
ATOM 363 P P . G B 2 8 ? 5.627 27.861 47.646 1.00 42.02 ? 2 G B P 1
|
| 1000 |
+
ATOM 364 O OP1 . G B 2 8 ? 5.230 29.124 46.979 1.00 40.87 ? 2 G B OP1 1
|
| 1001 |
+
ATOM 365 O OP2 . G B 2 8 ? 6.971 27.283 47.379 1.00 37.22 ? 2 G B OP2 1
|
| 1002 |
+
ATOM 366 O "O5'" . G B 2 8 ? 5.455 28.050 49.214 1.00 42.12 ? 2 G B "O5'" 1
|
| 1003 |
+
ATOM 367 C "C5'" . G B 2 8 ? 4.155 28.249 49.767 1.00 41.04 ? 2 G B "C5'" 1
|
| 1004 |
+
ATOM 368 C "C4'" . G B 2 8 ? 4.151 27.922 51.238 1.00 40.46 ? 2 G B "C4'" 1
|
| 1005 |
+
ATOM 369 O "O4'" . G B 2 8 ? 4.118 26.486 51.448 1.00 37.01 ? 2 G B "O4'" 1
|
| 1006 |
+
ATOM 370 C "C3'" . G B 2 8 ? 5.381 28.365 52.002 1.00 39.61 ? 2 G B "C3'" 1
|
| 1007 |
+
ATOM 371 O "O3'" . G B 2 8 ? 5.350 29.762 52.260 1.00 40.98 ? 2 G B "O3'" 1
|
| 1008 |
+
ATOM 372 C "C2'" . G B 2 8 ? 5.274 27.497 53.248 1.00 39.79 ? 2 G B "C2'" 1
|
| 1009 |
+
ATOM 373 O "O2'" . G B 2 8 ? 4.273 27.958 54.133 1.00 40.18 ? 2 G B "O2'" 1
|
| 1010 |
+
ATOM 374 C "C1'" . G B 2 8 ? 4.811 26.168 52.643 1.00 35.59 ? 2 G B "C1'" 1
|
| 1011 |
+
ATOM 375 N N9 . G B 2 8 ? 5.895 25.241 52.322 1.00 34.16 ? 2 G B N9 1
|
| 1012 |
+
ATOM 376 C C8 . G B 2 8 ? 6.429 24.984 51.080 1.00 34.68 ? 2 G B C8 1
|
| 1013 |
+
ATOM 377 N N7 . G B 2 8 ? 7.358 24.065 51.098 1.00 32.06 ? 2 G B N7 1
|
| 1014 |
+
ATOM 378 C C5 . G B 2 8 ? 7.455 23.698 52.434 1.00 34.34 ? 2 G B C5 1
|
| 1015 |
+
ATOM 379 C C6 . G B 2 8 ? 8.283 22.726 53.068 1.00 34.66 ? 2 G B C6 1
|
| 1016 |
+
ATOM 380 O O6 . G B 2 8 ? 9.114 21.968 52.559 1.00 33.72 ? 2 G B O6 1
|
| 1017 |
+
ATOM 381 N N1 . G B 2 8 ? 8.062 22.683 54.436 1.00 35.10 ? 2 G B N1 1
|
| 1018 |
+
ATOM 382 C C2 . G B 2 8 ? 7.158 23.457 55.116 1.00 35.05 ? 2 G B C2 1
|
| 1019 |
+
ATOM 383 N N2 . G B 2 8 ? 7.101 23.256 56.442 1.00 34.18 ? 2 G B N2 1
|
| 1020 |
+
ATOM 384 N N3 . G B 2 8 ? 6.371 24.357 54.544 1.00 34.83 ? 2 G B N3 1
|
| 1021 |
+
ATOM 385 C C4 . G B 2 8 ? 6.571 24.425 53.208 1.00 34.61 ? 2 G B C4 1
|
| 1022 |
+
ATOM 386 P P . A B 2 9 ? 6.718 30.611 52.232 1.00 41.81 ? 3 A B P 1
|
| 1023 |
+
ATOM 387 O OP1 . A B 2 9 ? 6.370 32.038 52.398 1.00 43.62 ? 3 A B OP1 1
|
| 1024 |
+
ATOM 388 O OP2 . A B 2 9 ? 7.522 30.195 51.057 1.00 44.09 ? 3 A B OP2 1
|
| 1025 |
+
ATOM 389 O "O5'" . A B 2 9 ? 7.486 30.118 53.533 1.00 42.08 ? 3 A B "O5'" 1
|
| 1026 |
+
ATOM 390 C "C5'" . A B 2 9 ? 6.915 30.289 54.825 1.00 41.01 ? 3 A B "C5'" 1
|
| 1027 |
+
ATOM 391 C "C4'" . A B 2 9 ? 7.657 29.451 55.834 1.00 40.58 ? 3 A B "C4'" 1
|
| 1028 |
+
ATOM 392 O "O4'" . A B 2 9 ? 7.482 28.044 55.514 1.00 40.31 ? 3 A B "O4'" 1
|
| 1029 |
+
ATOM 393 C "C3'" . A B 2 9 ? 9.167 29.624 55.865 1.00 40.06 ? 3 A B "C3'" 1
|
| 1030 |
+
ATOM 394 O "O3'" . A B 2 9 ? 9.547 30.768 56.629 1.00 41.41 ? 3 A B "O3'" 1
|
| 1031 |
+
ATOM 395 C "C2'" . A B 2 9 ? 9.602 28.328 56.535 1.00 40.22 ? 3 A B "C2'" 1
|
| 1032 |
+
ATOM 396 O "O2'" . A B 2 9 ? 9.391 28.349 57.928 1.00 34.96 ? 3 A B "O2'" 1
|
| 1033 |
+
ATOM 397 C "C1'" . A B 2 9 ? 8.640 27.320 55.901 1.00 39.95 ? 3 A B "C1'" 1
|
| 1034 |
+
ATOM 398 N N9 . A B 2 9 ? 9.207 26.671 54.717 1.00 39.39 ? 3 A B N9 1
|
| 1035 |
+
ATOM 399 C C8 . A B 2 9 ? 9.036 27.023 53.398 1.00 41.17 ? 3 A B C8 1
|
| 1036 |
+
ATOM 400 N N7 . A B 2 9 ? 9.700 26.266 52.556 1.00 38.92 ? 3 A B N7 1
|
| 1037 |
+
ATOM 401 C C5 . A B 2 9 ? 10.347 25.350 53.370 1.00 38.80 ? 3 A B C5 1
|
| 1038 |
+
ATOM 402 C C6 . A B 2 9 ? 11.209 24.275 53.084 1.00 38.69 ? 3 A B C6 1
|
| 1039 |
+
ATOM 403 N N6 . A B 2 9 ? 11.579 23.933 51.849 1.00 39.89 ? 3 A B N6 1
|
| 1040 |
+
ATOM 404 N N1 . A B 2 9 ? 11.682 23.555 54.124 1.00 38.36 ? 3 A B N1 1
|
| 1041 |
+
ATOM 405 C C2 . A B 2 9 ? 11.307 23.901 55.362 1.00 38.88 ? 3 A B C2 1
|
| 1042 |
+
ATOM 406 N N3 . A B 2 9 ? 10.503 24.889 55.760 1.00 39.44 ? 3 A B N3 1
|
| 1043 |
+
ATOM 407 C C4 . A B 2 9 ? 10.049 25.584 54.705 1.00 39.40 ? 3 A B C4 1
|
| 1044 |
+
ATOM 408 P P . A B 2 10 ? 10.788 31.683 56.150 1.00 40.53 ? 4 A B P 1
|
| 1045 |
+
ATOM 409 O OP1 . A B 2 10 ? 10.989 32.720 57.192 1.00 44.43 ? 4 A B OP1 1
|
| 1046 |
+
ATOM 410 O OP2 . A B 2 10 ? 10.556 32.096 54.742 1.00 41.71 ? 4 A B OP2 1
|
| 1047 |
+
ATOM 411 O "O5'" . A B 2 10 ? 12.047 30.703 56.164 1.00 40.56 ? 4 A B "O5'" 1
|
| 1048 |
+
ATOM 412 C "C5'" . A B 2 10 ? 12.562 30.175 57.389 1.00 41.89 ? 4 A B "C5'" 1
|
| 1049 |
+
ATOM 413 C "C4'" . A B 2 10 ? 13.607 29.117 57.105 1.00 43.40 ? 4 A B "C4'" 1
|
| 1050 |
+
ATOM 414 O "O4'" . A B 2 10 ? 12.986 28.026 56.376 1.00 43.08 ? 4 A B "O4'" 1
|
| 1051 |
+
ATOM 415 C "C3'" . A B 2 10 ? 14.778 29.555 56.233 1.00 45.83 ? 4 A B "C3'" 1
|
| 1052 |
+
ATOM 416 O "O3'" . A B 2 10 ? 15.817 30.115 57.035 1.00 50.38 ? 4 A B "O3'" 1
|
| 1053 |
+
ATOM 417 C "C2'" . A B 2 10 ? 15.217 28.246 55.591 1.00 43.95 ? 4 A B "C2'" 1
|
| 1054 |
+
ATOM 418 O "O2'" . A B 2 10 ? 16.033 27.462 56.436 1.00 47.76 ? 4 A B "O2'" 1
|
| 1055 |
+
ATOM 419 C "C1'" . A B 2 10 ? 13.878 27.539 55.389 1.00 41.87 ? 4 A B "C1'" 1
|
| 1056 |
+
ATOM 420 N N9 . A B 2 10 ? 13.284 27.776 54.071 1.00 41.54 ? 4 A B N9 1
|
| 1057 |
+
ATOM 421 C C8 . A B 2 10 ? 12.354 28.728 53.714 1.00 39.79 ? 4 A B C8 1
|
| 1058 |
+
ATOM 422 N N7 . A B 2 10 ? 12.001 28.676 52.453 1.00 37.10 ? 4 A B N7 1
|
| 1059 |
+
ATOM 423 C C5 . A B 2 10 ? 12.753 27.627 51.941 1.00 39.64 ? 4 A B C5 1
|
| 1060 |
+
ATOM 424 C C6 . A B 2 10 ? 12.834 27.064 50.661 1.00 37.91 ? 4 A B C6 1
|
| 1061 |
+
ATOM 425 N N6 . A B 2 10 ? 12.124 27.495 49.620 1.00 40.25 ? 4 A B N6 1
|
| 1062 |
+
ATOM 426 N N1 . A B 2 10 ? 13.677 26.026 50.485 1.00 37.64 ? 4 A B N1 1
|
| 1063 |
+
ATOM 427 C C2 . A B 2 10 ? 14.388 25.592 51.528 1.00 37.19 ? 4 A B C2 1
|
| 1064 |
+
ATOM 428 N N3 . A B 2 10 ? 14.402 26.036 52.777 1.00 39.76 ? 4 A B N3 1
|
| 1065 |
+
ATOM 429 C C4 . A B 2 10 ? 13.550 27.067 52.923 1.00 39.80 ? 4 A B C4 1
|
| 1066 |
+
ATOM 430 P P . C B 2 11 ? 16.809 31.227 56.420 1.00 55.11 ? 5 C B P 1
|
| 1067 |
+
ATOM 431 O OP1 . C B 2 11 ? 17.667 31.694 57.544 1.00 56.31 ? 5 C B OP1 1
|
| 1068 |
+
ATOM 432 O OP2 . C B 2 11 ? 16.017 32.222 55.641 1.00 52.84 ? 5 C B OP2 1
|
| 1069 |
+
ATOM 433 O "O5'" . C B 2 11 ? 17.730 30.420 55.398 1.00 55.18 ? 5 C B "O5'" 1
|
| 1070 |
+
ATOM 434 C "C5'" . C B 2 11 ? 18.702 29.485 55.871 1.00 54.42 ? 5 C B "C5'" 1
|
| 1071 |
+
ATOM 435 C "C4'" . C B 2 11 ? 19.204 28.618 54.738 1.00 53.29 ? 5 C B "C4'" 1
|
| 1072 |
+
ATOM 436 O "O4'" . C B 2 11 ? 18.071 27.976 54.093 1.00 51.59 ? 5 C B "O4'" 1
|
| 1073 |
+
ATOM 437 C "C3'" . C B 2 11 ? 19.904 29.326 53.588 1.00 53.39 ? 5 C B "C3'" 1
|
| 1074 |
+
ATOM 438 O "O3'" . C B 2 11 ? 21.269 29.686 53.837 1.00 54.08 ? 5 C B "O3'" 1
|
| 1075 |
+
ATOM 439 C "C2'" . C B 2 11 ? 19.777 28.301 52.469 1.00 53.80 ? 5 C B "C2'" 1
|
| 1076 |
+
ATOM 440 O "O2'" . C B 2 11 ? 20.710 27.245 52.603 1.00 55.14 ? 5 C B "O2'" 1
|
| 1077 |
+
ATOM 441 C "C1'" . C B 2 11 ? 18.369 27.755 52.722 1.00 52.41 ? 5 C B "C1'" 1
|
| 1078 |
+
ATOM 442 N N1 . C B 2 11 ? 17.317 28.380 51.887 1.00 50.49 ? 5 C B N1 1
|
| 1079 |
+
ATOM 443 C C2 . C B 2 11 ? 17.036 27.822 50.628 1.00 49.53 ? 5 C B C2 1
|
| 1080 |
+
ATOM 444 O O2 . C B 2 11 ? 17.662 26.817 50.260 1.00 47.49 ? 5 C B O2 1
|
| 1081 |
+
ATOM 445 N N3 . C B 2 11 ? 16.083 28.390 49.849 1.00 49.67 ? 5 C B N3 1
|
| 1082 |
+
ATOM 446 C C4 . C B 2 11 ? 15.416 29.463 50.283 1.00 49.88 ? 5 C B C4 1
|
| 1083 |
+
ATOM 447 N N4 . C B 2 11 ? 14.486 29.989 49.478 1.00 48.12 ? 5 C B N4 1
|
| 1084 |
+
ATOM 448 C C5 . C B 2 11 ? 15.674 30.046 51.560 1.00 49.85 ? 5 C B C5 1
|
| 1085 |
+
ATOM 449 C C6 . C B 2 11 ? 16.625 29.480 52.320 1.00 50.81 ? 5 C B C6 1
|
| 1086 |
+
HETATM 450 MG MG . MG C 3 . ? 5.574 20.217 56.204 1.00 40.59 ? 103 MG A MG 1
|
| 1087 |
+
HETATM 451 MG MG . MG D 3 . ? 7.091 18.559 38.088 1.00 45.63 ? 108 MG B MG 1
|
| 1088 |
+
HETATM 452 MG MG . MG E 3 . ? 12.687 32.392 53.379 1.00 45.19 ? 109 MG B MG 1
|
| 1089 |
+
HETATM 453 MG MG . MG F 3 . ? 19.773 30.749 51.661 1.00 56.48 ? 104 MG B MG 1
|
| 1090 |
+
HETATM 454 MG MG . MG G 3 . ? 10.280 25.103 49.643 1.00 47.95 ? 140 MG B MG 1
|
| 1091 |
+
HETATM 455 O O . HOH H 4 . ? 11.829 29.675 46.125 1.00 35.30 ? 110 HOH A O 1
|
| 1092 |
+
HETATM 456 O O . HOH H 4 . ? -5.146 20.938 45.021 1.00 39.94 ? 118 HOH A O 1
|
| 1093 |
+
HETATM 457 O O . HOH H 4 . ? -3.854 9.233 43.467 1.00 42.72 ? 122 HOH A O 1
|
| 1094 |
+
HETATM 458 O O . HOH H 4 . ? 13.025 17.706 53.291 1.00 44.79 ? 127 HOH A O 1
|
| 1095 |
+
HETATM 459 O O . HOH I 4 . ? 10.666 19.730 52.866 1.00 40.92 ? 101 HOH B O 1
|
| 1096 |
+
HETATM 460 O O . HOH I 4 . ? 11.358 26.981 59.151 1.00 35.50 ? 102 HOH B O 1
|
| 1097 |
+
HETATM 461 O O . HOH I 4 . ? 9.885 30.358 50.901 1.00 45.12 ? 105 HOH B O 1
|
| 1098 |
+
HETATM 462 O O . HOH I 4 . ? 8.221 24.968 47.842 1.00 40.25 ? 112 HOH B O 1
|
| 1099 |
+
HETATM 463 O O . HOH I 4 . ? 0.194 13.879 36.188 1.00 38.06 ? 130 HOH B O 1
|
| 1100 |
+
HETATM 464 O O . HOH I 4 . ? 1.418 25.775 48.571 1.00 47.23 ? 134 HOH B O 1
|
| 1101 |
+
HETATM 465 O O . HOH I 4 . ? 2.815 8.391 47.040 1.00 42.82 ? 136 HOH B O 1
|
| 1102 |
+
HETATM 466 O O . HOH I 4 . ? 7.275 18.436 41.055 1.00 40.90 ? 137 HOH B O 1
|
| 1103 |
+
#
|
| 1104 |
+
loop_
|
| 1105 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 1106 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 1107 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 1108 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 1109 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 1110 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 1111 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 1112 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 1113 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 1114 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 1115 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 1116 |
+
_pdbx_poly_seq_scheme.hetero
|
| 1117 |
+
A 1 1 G 1 44 44 G GUA A . n
|
| 1118 |
+
A 1 2 G 2 45 45 G GUA A . n
|
| 1119 |
+
A 1 3 U 3 46 46 U URI A . n
|
| 1120 |
+
A 1 4 G 4 47 47 G GUA A . n
|
| 1121 |
+
A 1 5 A 5 48 48 A ADE A . n
|
| 1122 |
+
A 1 6 G 6 49 49 G GUA A . n
|
| 1123 |
+
A 1 7 G 7 50 50 G GUA A . n
|
| 1124 |
+
A 1 8 C 8 51 51 C CYT A . n
|
| 1125 |
+
A 1 9 U 9 52 52 U URI A . n
|
| 1126 |
+
A 1 10 G 10 53 53 G GUA A . n
|
| 1127 |
+
B 2 1 C 1 -6 -6 C CYT B . n
|
| 1128 |
+
B 2 2 C 2 -5 -5 C CYT B . n
|
| 1129 |
+
B 2 3 A 3 -4 -4 A ADE B . n
|
| 1130 |
+
B 2 4 G 4 -3 -3 G GUA B . n
|
| 1131 |
+
B 2 5 U 5 -2 -2 U URI B . n
|
| 1132 |
+
B 2 6 C 6 -1 -1 C C2Y B . n
|
| 1133 |
+
B 2 7 G 7 1 1 G G2U B . n
|
| 1134 |
+
B 2 8 G 8 2 2 G GUA B . n
|
| 1135 |
+
B 2 9 A 9 3 3 A ADE B . n
|
| 1136 |
+
B 2 10 A 10 4 4 A ADE B . n
|
| 1137 |
+
B 2 11 C 11 5 5 C CYT B . n
|
| 1138 |
+
#
|
| 1139 |
+
loop_
|
| 1140 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 1141 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 1142 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 1143 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 1144 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 1145 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 1146 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 1147 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 1148 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 1149 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 1150 |
+
C 3 MG 1 103 103 MG MG A .
|
| 1151 |
+
D 3 MG 1 108 108 MG MG B .
|
| 1152 |
+
E 3 MG 1 109 109 MG MG B .
|
| 1153 |
+
F 3 MG 1 104 104 MG MG B .
|
| 1154 |
+
G 3 MG 1 140 140 MG MG B .
|
| 1155 |
+
H 4 HOH 1 110 110 HOH HOH A .
|
| 1156 |
+
H 4 HOH 2 118 118 HOH HOH A .
|
| 1157 |
+
H 4 HOH 3 122 122 HOH HOH A .
|
| 1158 |
+
H 4 HOH 4 127 127 HOH HOH A .
|
| 1159 |
+
I 4 HOH 1 101 101 HOH HOH B .
|
| 1160 |
+
I 4 HOH 2 102 102 HOH HOH B .
|
| 1161 |
+
I 4 HOH 3 105 105 HOH HOH B .
|
| 1162 |
+
I 4 HOH 4 112 112 HOH HOH B .
|
| 1163 |
+
I 4 HOH 5 130 130 HOH HOH B .
|
| 1164 |
+
I 4 HOH 6 134 134 HOH HOH B .
|
| 1165 |
+
I 4 HOH 7 136 136 HOH HOH B .
|
| 1166 |
+
I 4 HOH 8 137 137 HOH HOH B .
|
| 1167 |
+
#
|
| 1168 |
+
_pdbx_struct_assembly.id 1
|
| 1169 |
+
_pdbx_struct_assembly.details author_and_software_defined_assembly
|
| 1170 |
+
_pdbx_struct_assembly.method_details PISA
|
| 1171 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 1172 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 1173 |
+
#
|
| 1174 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 1175 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 1176 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I
|
| 1177 |
+
#
|
| 1178 |
+
loop_
|
| 1179 |
+
_pdbx_struct_assembly_prop.biol_id
|
| 1180 |
+
_pdbx_struct_assembly_prop.type
|
| 1181 |
+
_pdbx_struct_assembly_prop.value
|
| 1182 |
+
_pdbx_struct_assembly_prop.details
|
| 1183 |
+
1 'ABSA (A^2)' 1620 ?
|
| 1184 |
+
1 MORE -38 ?
|
| 1185 |
+
1 'SSA (A^2)' 4030 ?
|
| 1186 |
+
#
|
| 1187 |
+
_pdbx_struct_oper_list.id 1
|
| 1188 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 1189 |
+
_pdbx_struct_oper_list.name 1_555
|
| 1190 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 1191 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 1192 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 1193 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 1194 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 1195 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 1196 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 1197 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 1198 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 1199 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 1200 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 1201 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 1202 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 1203 |
+
#
|
| 1204 |
+
loop_
|
| 1205 |
+
_pdbx_audit_revision_history.ordinal
|
| 1206 |
+
_pdbx_audit_revision_history.data_content_type
|
| 1207 |
+
_pdbx_audit_revision_history.major_revision
|
| 1208 |
+
_pdbx_audit_revision_history.minor_revision
|
| 1209 |
+
_pdbx_audit_revision_history.revision_date
|
| 1210 |
+
1 'Structure model' 1 0 2009-02-24
|
| 1211 |
+
2 'Structure model' 1 1 2011-07-13
|
| 1212 |
+
3 'Structure model' 1 2 2023-09-06
|
| 1213 |
+
#
|
| 1214 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 1215 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 1216 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 1217 |
+
_pdbx_audit_revision_details.provider repository
|
| 1218 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 1219 |
+
_pdbx_audit_revision_details.description ?
|
| 1220 |
+
_pdbx_audit_revision_details.details ?
|
| 1221 |
+
#
|
| 1222 |
+
loop_
|
| 1223 |
+
_pdbx_audit_revision_group.ordinal
|
| 1224 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 1225 |
+
_pdbx_audit_revision_group.data_content_type
|
| 1226 |
+
_pdbx_audit_revision_group.group
|
| 1227 |
+
1 2 'Structure model' 'Version format compliance'
|
| 1228 |
+
2 3 'Structure model' Advisory
|
| 1229 |
+
3 3 'Structure model' 'Data collection'
|
| 1230 |
+
4 3 'Structure model' 'Database references'
|
| 1231 |
+
5 3 'Structure model' 'Derived calculations'
|
| 1232 |
+
6 3 'Structure model' 'Refinement description'
|
| 1233 |
+
#
|
| 1234 |
+
loop_
|
| 1235 |
+
_pdbx_audit_revision_category.ordinal
|
| 1236 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 1237 |
+
_pdbx_audit_revision_category.data_content_type
|
| 1238 |
+
_pdbx_audit_revision_category.category
|
| 1239 |
+
1 3 'Structure model' chem_comp_atom
|
| 1240 |
+
2 3 'Structure model' chem_comp_bond
|
| 1241 |
+
3 3 'Structure model' database_2
|
| 1242 |
+
4 3 'Structure model' pdbx_initial_refinement_model
|
| 1243 |
+
5 3 'Structure model' pdbx_validate_polymer_linkage
|
| 1244 |
+
6 3 'Structure model' struct_conn
|
| 1245 |
+
7 3 'Structure model' struct_site
|
| 1246 |
+
#
|
| 1247 |
+
loop_
|
| 1248 |
+
_pdbx_audit_revision_item.ordinal
|
| 1249 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 1250 |
+
_pdbx_audit_revision_item.data_content_type
|
| 1251 |
+
_pdbx_audit_revision_item.item
|
| 1252 |
+
1 3 'Structure model' '_database_2.pdbx_DOI'
|
| 1253 |
+
2 3 'Structure model' '_database_2.pdbx_database_accession'
|
| 1254 |
+
3 3 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
|
| 1255 |
+
4 3 'Structure model' '_struct_site.pdbx_auth_asym_id'
|
| 1256 |
+
5 3 'Structure model' '_struct_site.pdbx_auth_comp_id'
|
| 1257 |
+
6 3 'Structure model' '_struct_site.pdbx_auth_seq_id'
|
| 1258 |
+
#
|
| 1259 |
+
loop_
|
| 1260 |
+
_software.name
|
| 1261 |
+
_software.classification
|
| 1262 |
+
_software.version
|
| 1263 |
+
_software.citation_id
|
| 1264 |
+
_software.pdbx_ordinal
|
| 1265 |
+
ADSC 'data collection' Quantum ? 1
|
| 1266 |
+
EPMR phasing . ? 2
|
| 1267 |
+
CNS refinement 1.1 ? 3
|
| 1268 |
+
DENZO 'data reduction' . ? 4
|
| 1269 |
+
SCALEPACK 'data scaling' . ? 5
|
| 1270 |
+
#
|
| 1271 |
+
_pdbx_validate_rmsd_angle.id 1
|
| 1272 |
+
_pdbx_validate_rmsd_angle.PDB_model_num 1
|
| 1273 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1 N9
|
| 1274 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1 A
|
| 1275 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1 G
|
| 1276 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1 47
|
| 1277 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
|
| 1278 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1 ?
|
| 1279 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2 "C1'"
|
| 1280 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2 A
|
| 1281 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2 G
|
| 1282 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2 47
|
| 1283 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
|
| 1284 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2 ?
|
| 1285 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3 "C2'"
|
| 1286 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3 A
|
| 1287 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3 G
|
| 1288 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3 47
|
| 1289 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
|
| 1290 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3 ?
|
| 1291 |
+
_pdbx_validate_rmsd_angle.angle_value 123.11
|
| 1292 |
+
_pdbx_validate_rmsd_angle.angle_target_value 114.00
|
| 1293 |
+
_pdbx_validate_rmsd_angle.angle_deviation 9.11
|
| 1294 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation 1.30
|
| 1295 |
+
_pdbx_validate_rmsd_angle.linker_flag N
|
| 1296 |
+
#
|
| 1297 |
+
loop_
|
| 1298 |
+
_chem_comp_atom.comp_id
|
| 1299 |
+
_chem_comp_atom.atom_id
|
| 1300 |
+
_chem_comp_atom.type_symbol
|
| 1301 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 1302 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 1303 |
+
_chem_comp_atom.pdbx_ordinal
|
| 1304 |
+
A OP3 O N N 1
|
| 1305 |
+
A P P N N 2
|
| 1306 |
+
A OP1 O N N 3
|
| 1307 |
+
A OP2 O N N 4
|
| 1308 |
+
A "O5'" O N N 5
|
| 1309 |
+
A "C5'" C N N 6
|
| 1310 |
+
A "C4'" C N R 7
|
| 1311 |
+
A "O4'" O N N 8
|
| 1312 |
+
A "C3'" C N S 9
|
| 1313 |
+
A "O3'" O N N 10
|
| 1314 |
+
A "C2'" C N R 11
|
| 1315 |
+
A "O2'" O N N 12
|
| 1316 |
+
A "C1'" C N R 13
|
| 1317 |
+
A N9 N Y N 14
|
| 1318 |
+
A C8 C Y N 15
|
| 1319 |
+
A N7 N Y N 16
|
| 1320 |
+
A C5 C Y N 17
|
| 1321 |
+
A C6 C Y N 18
|
| 1322 |
+
A N6 N N N 19
|
| 1323 |
+
A N1 N Y N 20
|
| 1324 |
+
A C2 C Y N 21
|
| 1325 |
+
A N3 N Y N 22
|
| 1326 |
+
A C4 C Y N 23
|
| 1327 |
+
A HOP3 H N N 24
|
| 1328 |
+
A HOP2 H N N 25
|
| 1329 |
+
A "H5'" H N N 26
|
| 1330 |
+
A "H5''" H N N 27
|
| 1331 |
+
A "H4'" H N N 28
|
| 1332 |
+
A "H3'" H N N 29
|
| 1333 |
+
A "HO3'" H N N 30
|
| 1334 |
+
A "H2'" H N N 31
|
| 1335 |
+
A "HO2'" H N N 32
|
| 1336 |
+
A "H1'" H N N 33
|
| 1337 |
+
A H8 H N N 34
|
| 1338 |
+
A H61 H N N 35
|
| 1339 |
+
A H62 H N N 36
|
| 1340 |
+
A H2 H N N 37
|
| 1341 |
+
C OP3 O N N 38
|
| 1342 |
+
C P P N N 39
|
| 1343 |
+
C OP1 O N N 40
|
| 1344 |
+
C OP2 O N N 41
|
| 1345 |
+
C "O5'" O N N 42
|
| 1346 |
+
C "C5'" C N N 43
|
| 1347 |
+
C "C4'" C N R 44
|
| 1348 |
+
C "O4'" O N N 45
|
| 1349 |
+
C "C3'" C N S 46
|
| 1350 |
+
C "O3'" O N N 47
|
| 1351 |
+
C "C2'" C N R 48
|
| 1352 |
+
C "O2'" O N N 49
|
| 1353 |
+
C "C1'" C N R 50
|
| 1354 |
+
C N1 N N N 51
|
| 1355 |
+
C C2 C N N 52
|
| 1356 |
+
C O2 O N N 53
|
| 1357 |
+
C N3 N N N 54
|
| 1358 |
+
C C4 C N N 55
|
| 1359 |
+
C N4 N N N 56
|
| 1360 |
+
C C5 C N N 57
|
| 1361 |
+
C C6 C N N 58
|
| 1362 |
+
C HOP3 H N N 59
|
| 1363 |
+
C HOP2 H N N 60
|
| 1364 |
+
C "H5'" H N N 61
|
| 1365 |
+
C "H5''" H N N 62
|
| 1366 |
+
C "H4'" H N N 63
|
| 1367 |
+
C "H3'" H N N 64
|
| 1368 |
+
C "HO3'" H N N 65
|
| 1369 |
+
C "H2'" H N N 66
|
| 1370 |
+
C "HO2'" H N N 67
|
| 1371 |
+
C "H1'" H N N 68
|
| 1372 |
+
C H41 H N N 69
|
| 1373 |
+
C H42 H N N 70
|
| 1374 |
+
C H5 H N N 71
|
| 1375 |
+
C H6 H N N 72
|
| 1376 |
+
G OP3 O N N 73
|
| 1377 |
+
G P P N N 74
|
| 1378 |
+
G OP1 O N N 75
|
| 1379 |
+
G OP2 O N N 76
|
| 1380 |
+
G "O5'" O N N 77
|
| 1381 |
+
G "C5'" C N N 78
|
| 1382 |
+
G "C4'" C N R 79
|
| 1383 |
+
G "O4'" O N N 80
|
| 1384 |
+
G "C3'" C N S 81
|
| 1385 |
+
G "O3'" O N N 82
|
| 1386 |
+
G "C2'" C N R 83
|
| 1387 |
+
G "O2'" O N N 84
|
| 1388 |
+
G "C1'" C N R 85
|
| 1389 |
+
G N9 N Y N 86
|
| 1390 |
+
G C8 C Y N 87
|
| 1391 |
+
G N7 N Y N 88
|
| 1392 |
+
G C5 C Y N 89
|
| 1393 |
+
G C6 C N N 90
|
| 1394 |
+
G O6 O N N 91
|
| 1395 |
+
G N1 N N N 92
|
| 1396 |
+
G C2 C N N 93
|
| 1397 |
+
G N2 N N N 94
|
| 1398 |
+
G N3 N N N 95
|
| 1399 |
+
G C4 C Y N 96
|
| 1400 |
+
G HOP3 H N N 97
|
| 1401 |
+
G HOP2 H N N 98
|
| 1402 |
+
G "H5'" H N N 99
|
| 1403 |
+
G "H5''" H N N 100
|
| 1404 |
+
G "H4'" H N N 101
|
| 1405 |
+
G "H3'" H N N 102
|
| 1406 |
+
G "HO3'" H N N 103
|
| 1407 |
+
G "H2'" H N N 104
|
| 1408 |
+
G "HO2'" H N N 105
|
| 1409 |
+
G "H1'" H N N 106
|
| 1410 |
+
G H8 H N N 107
|
| 1411 |
+
G H1 H N N 108
|
| 1412 |
+
G H21 H N N 109
|
| 1413 |
+
G H22 H N N 110
|
| 1414 |
+
HOH O O N N 111
|
| 1415 |
+
HOH H1 H N N 112
|
| 1416 |
+
HOH H2 H N N 113
|
| 1417 |
+
MG MG MG N N 114
|
| 1418 |
+
U OP3 O N N 115
|
| 1419 |
+
U P P N N 116
|
| 1420 |
+
U OP1 O N N 117
|
| 1421 |
+
U OP2 O N N 118
|
| 1422 |
+
U "O5'" O N N 119
|
| 1423 |
+
U "C5'" C N N 120
|
| 1424 |
+
U "C4'" C N R 121
|
| 1425 |
+
U "O4'" O N N 122
|
| 1426 |
+
U "C3'" C N S 123
|
| 1427 |
+
U "O3'" O N N 124
|
| 1428 |
+
U "C2'" C N R 125
|
| 1429 |
+
U "O2'" O N N 126
|
| 1430 |
+
U "C1'" C N R 127
|
| 1431 |
+
U N1 N N N 128
|
| 1432 |
+
U C2 C N N 129
|
| 1433 |
+
U O2 O N N 130
|
| 1434 |
+
U N3 N N N 131
|
| 1435 |
+
U C4 C N N 132
|
| 1436 |
+
U O4 O N N 133
|
| 1437 |
+
U C5 C N N 134
|
| 1438 |
+
U C6 C N N 135
|
| 1439 |
+
U HOP3 H N N 136
|
| 1440 |
+
U HOP2 H N N 137
|
| 1441 |
+
U "H5'" H N N 138
|
| 1442 |
+
U "H5''" H N N 139
|
| 1443 |
+
U "H4'" H N N 140
|
| 1444 |
+
U "H3'" H N N 141
|
| 1445 |
+
U "HO3'" H N N 142
|
| 1446 |
+
U "H2'" H N N 143
|
| 1447 |
+
U "HO2'" H N N 144
|
| 1448 |
+
U "H1'" H N N 145
|
| 1449 |
+
U H3 H N N 146
|
| 1450 |
+
U H5 H N N 147
|
| 1451 |
+
U H6 H N N 148
|
| 1452 |
+
#
|
| 1453 |
+
loop_
|
| 1454 |
+
_chem_comp_bond.comp_id
|
| 1455 |
+
_chem_comp_bond.atom_id_1
|
| 1456 |
+
_chem_comp_bond.atom_id_2
|
| 1457 |
+
_chem_comp_bond.value_order
|
| 1458 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 1459 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 1460 |
+
_chem_comp_bond.pdbx_ordinal
|
| 1461 |
+
A OP3 P sing N N 1
|
| 1462 |
+
A OP3 HOP3 sing N N 2
|
| 1463 |
+
A P OP1 doub N N 3
|
| 1464 |
+
A P OP2 sing N N 4
|
| 1465 |
+
A P "O5'" sing N N 5
|
| 1466 |
+
A OP2 HOP2 sing N N 6
|
| 1467 |
+
A "O5'" "C5'" sing N N 7
|
| 1468 |
+
A "C5'" "C4'" sing N N 8
|
| 1469 |
+
A "C5'" "H5'" sing N N 9
|
| 1470 |
+
A "C5'" "H5''" sing N N 10
|
| 1471 |
+
A "C4'" "O4'" sing N N 11
|
| 1472 |
+
A "C4'" "C3'" sing N N 12
|
| 1473 |
+
A "C4'" "H4'" sing N N 13
|
| 1474 |
+
A "O4'" "C1'" sing N N 14
|
| 1475 |
+
A "C3'" "O3'" sing N N 15
|
| 1476 |
+
A "C3'" "C2'" sing N N 16
|
| 1477 |
+
A "C3'" "H3'" sing N N 17
|
| 1478 |
+
A "O3'" "HO3'" sing N N 18
|
| 1479 |
+
A "C2'" "O2'" sing N N 19
|
| 1480 |
+
A "C2'" "C1'" sing N N 20
|
| 1481 |
+
A "C2'" "H2'" sing N N 21
|
| 1482 |
+
A "O2'" "HO2'" sing N N 22
|
| 1483 |
+
A "C1'" N9 sing N N 23
|
| 1484 |
+
A "C1'" "H1'" sing N N 24
|
| 1485 |
+
A N9 C8 sing Y N 25
|
| 1486 |
+
A N9 C4 sing Y N 26
|
| 1487 |
+
A C8 N7 doub Y N 27
|
| 1488 |
+
A C8 H8 sing N N 28
|
| 1489 |
+
A N7 C5 sing Y N 29
|
| 1490 |
+
A C5 C6 sing Y N 30
|
| 1491 |
+
A C5 C4 doub Y N 31
|
| 1492 |
+
A C6 N6 sing N N 32
|
| 1493 |
+
A C6 N1 doub Y N 33
|
| 1494 |
+
A N6 H61 sing N N 34
|
| 1495 |
+
A N6 H62 sing N N 35
|
| 1496 |
+
A N1 C2 sing Y N 36
|
| 1497 |
+
A C2 N3 doub Y N 37
|
| 1498 |
+
A C2 H2 sing N N 38
|
| 1499 |
+
A N3 C4 sing Y N 39
|
| 1500 |
+
C OP3 P sing N N 40
|
| 1501 |
+
C OP3 HOP3 sing N N 41
|
| 1502 |
+
C P OP1 doub N N 42
|
| 1503 |
+
C P OP2 sing N N 43
|
| 1504 |
+
C P "O5'" sing N N 44
|
| 1505 |
+
C OP2 HOP2 sing N N 45
|
| 1506 |
+
C "O5'" "C5'" sing N N 46
|
| 1507 |
+
C "C5'" "C4'" sing N N 47
|
| 1508 |
+
C "C5'" "H5'" sing N N 48
|
| 1509 |
+
C "C5'" "H5''" sing N N 49
|
| 1510 |
+
C "C4'" "O4'" sing N N 50
|
| 1511 |
+
C "C4'" "C3'" sing N N 51
|
| 1512 |
+
C "C4'" "H4'" sing N N 52
|
| 1513 |
+
C "O4'" "C1'" sing N N 53
|
| 1514 |
+
C "C3'" "O3'" sing N N 54
|
| 1515 |
+
C "C3'" "C2'" sing N N 55
|
| 1516 |
+
C "C3'" "H3'" sing N N 56
|
| 1517 |
+
C "O3'" "HO3'" sing N N 57
|
| 1518 |
+
C "C2'" "O2'" sing N N 58
|
| 1519 |
+
C "C2'" "C1'" sing N N 59
|
| 1520 |
+
C "C2'" "H2'" sing N N 60
|
| 1521 |
+
C "O2'" "HO2'" sing N N 61
|
| 1522 |
+
C "C1'" N1 sing N N 62
|
| 1523 |
+
C "C1'" "H1'" sing N N 63
|
| 1524 |
+
C N1 C2 sing N N 64
|
| 1525 |
+
C N1 C6 sing N N 65
|
| 1526 |
+
C C2 O2 doub N N 66
|
| 1527 |
+
C C2 N3 sing N N 67
|
| 1528 |
+
C N3 C4 doub N N 68
|
| 1529 |
+
C C4 N4 sing N N 69
|
| 1530 |
+
C C4 C5 sing N N 70
|
| 1531 |
+
C N4 H41 sing N N 71
|
| 1532 |
+
C N4 H42 sing N N 72
|
| 1533 |
+
C C5 C6 doub N N 73
|
| 1534 |
+
C C5 H5 sing N N 74
|
| 1535 |
+
C C6 H6 sing N N 75
|
| 1536 |
+
G OP3 P sing N N 76
|
| 1537 |
+
G OP3 HOP3 sing N N 77
|
| 1538 |
+
G P OP1 doub N N 78
|
| 1539 |
+
G P OP2 sing N N 79
|
| 1540 |
+
G P "O5'" sing N N 80
|
| 1541 |
+
G OP2 HOP2 sing N N 81
|
| 1542 |
+
G "O5'" "C5'" sing N N 82
|
| 1543 |
+
G "C5'" "C4'" sing N N 83
|
| 1544 |
+
G "C5'" "H5'" sing N N 84
|
| 1545 |
+
G "C5'" "H5''" sing N N 85
|
| 1546 |
+
G "C4'" "O4'" sing N N 86
|
| 1547 |
+
G "C4'" "C3'" sing N N 87
|
| 1548 |
+
G "C4'" "H4'" sing N N 88
|
| 1549 |
+
G "O4'" "C1'" sing N N 89
|
| 1550 |
+
G "C3'" "O3'" sing N N 90
|
| 1551 |
+
G "C3'" "C2'" sing N N 91
|
| 1552 |
+
G "C3'" "H3'" sing N N 92
|
| 1553 |
+
G "O3'" "HO3'" sing N N 93
|
| 1554 |
+
G "C2'" "O2'" sing N N 94
|
| 1555 |
+
G "C2'" "C1'" sing N N 95
|
| 1556 |
+
G "C2'" "H2'" sing N N 96
|
| 1557 |
+
G "O2'" "HO2'" sing N N 97
|
| 1558 |
+
G "C1'" N9 sing N N 98
|
| 1559 |
+
G "C1'" "H1'" sing N N 99
|
| 1560 |
+
G N9 C8 sing Y N 100
|
| 1561 |
+
G N9 C4 sing Y N 101
|
| 1562 |
+
G C8 N7 doub Y N 102
|
| 1563 |
+
G C8 H8 sing N N 103
|
| 1564 |
+
G N7 C5 sing Y N 104
|
| 1565 |
+
G C5 C6 sing N N 105
|
| 1566 |
+
G C5 C4 doub Y N 106
|
| 1567 |
+
G C6 O6 doub N N 107
|
| 1568 |
+
G C6 N1 sing N N 108
|
| 1569 |
+
G N1 C2 sing N N 109
|
| 1570 |
+
G N1 H1 sing N N 110
|
| 1571 |
+
G C2 N2 sing N N 111
|
| 1572 |
+
G C2 N3 doub N N 112
|
| 1573 |
+
G N2 H21 sing N N 113
|
| 1574 |
+
G N2 H22 sing N N 114
|
| 1575 |
+
G N3 C4 sing N N 115
|
| 1576 |
+
HOH O H1 sing N N 116
|
| 1577 |
+
HOH O H2 sing N N 117
|
| 1578 |
+
U OP3 P sing N N 118
|
| 1579 |
+
U OP3 HOP3 sing N N 119
|
| 1580 |
+
U P OP1 doub N N 120
|
| 1581 |
+
U P OP2 sing N N 121
|
| 1582 |
+
U P "O5'" sing N N 122
|
| 1583 |
+
U OP2 HOP2 sing N N 123
|
| 1584 |
+
U "O5'" "C5'" sing N N 124
|
| 1585 |
+
U "C5'" "C4'" sing N N 125
|
| 1586 |
+
U "C5'" "H5'" sing N N 126
|
| 1587 |
+
U "C5'" "H5''" sing N N 127
|
| 1588 |
+
U "C4'" "O4'" sing N N 128
|
| 1589 |
+
U "C4'" "C3'" sing N N 129
|
| 1590 |
+
U "C4'" "H4'" sing N N 130
|
| 1591 |
+
U "O4'" "C1'" sing N N 131
|
| 1592 |
+
U "C3'" "O3'" sing N N 132
|
| 1593 |
+
U "C3'" "C2'" sing N N 133
|
| 1594 |
+
U "C3'" "H3'" sing N N 134
|
| 1595 |
+
U "O3'" "HO3'" sing N N 135
|
| 1596 |
+
U "C2'" "O2'" sing N N 136
|
| 1597 |
+
U "C2'" "C1'" sing N N 137
|
| 1598 |
+
U "C2'" "H2'" sing N N 138
|
| 1599 |
+
U "O2'" "HO2'" sing N N 139
|
| 1600 |
+
U "C1'" N1 sing N N 140
|
| 1601 |
+
U "C1'" "H1'" sing N N 141
|
| 1602 |
+
U N1 C2 sing N N 142
|
| 1603 |
+
U N1 C6 sing N N 143
|
| 1604 |
+
U C2 O2 doub N N 144
|
| 1605 |
+
U C2 N3 sing N N 145
|
| 1606 |
+
U N3 C4 sing N N 146
|
| 1607 |
+
U N3 H3 sing N N 147
|
| 1608 |
+
U C4 O4 doub N N 148
|
| 1609 |
+
U C4 C5 sing N N 149
|
| 1610 |
+
U C5 C6 doub N N 150
|
| 1611 |
+
U C5 H5 sing N N 151
|
| 1612 |
+
U C6 H6 sing N N 152
|
| 1613 |
+
#
|
| 1614 |
+
loop_
|
| 1615 |
+
_ndb_struct_conf_na.entry_id
|
| 1616 |
+
_ndb_struct_conf_na.feature
|
| 1617 |
+
3FS0 'double helix'
|
| 1618 |
+
3FS0 'a-form double helix'
|
| 1619 |
+
3FS0 'mismatched base pair'
|
| 1620 |
+
3FS0 'internal loop'
|
| 1621 |
+
#
|
| 1622 |
+
loop_
|
| 1623 |
+
_ndb_struct_na_base_pair.model_number
|
| 1624 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1625 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1626 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1627 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1628 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1629 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1630 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1631 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1632 |
+
_ndb_struct_na_base_pair.shear
|
| 1633 |
+
_ndb_struct_na_base_pair.stretch
|
| 1634 |
+
_ndb_struct_na_base_pair.stagger
|
| 1635 |
+
_ndb_struct_na_base_pair.buckle
|
| 1636 |
+
_ndb_struct_na_base_pair.propeller
|
| 1637 |
+
_ndb_struct_na_base_pair.opening
|
| 1638 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1639 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1640 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1641 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1642 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1643 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1644 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1645 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1646 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1647 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1648 |
+
1 A G 2 1_555 B C 11 1_555 -0.279 0.069 0.349 -8.420 -17.427 4.566 1 A_G45:C5_B A 45 ? B 5 ? 19 1
|
| 1649 |
+
1 A U 3 1_555 B A 10 1_555 0.216 -0.072 0.248 4.150 -11.828 5.630 2 A_U46:A4_B A 46 ? B 4 ? 20 1
|
| 1650 |
+
1 A A 5 1_555 B G 7 1_555 -7.098 -4.312 -0.360 0.035 -4.562 -8.954 3 A_A48:G1_B A 48 ? B 1 ? 11 10
|
| 1651 |
+
1 A G 6 1_555 B C 6 1_555 -0.699 -0.143 -0.046 0.216 0.838 -0.465 4 A_G49:C-1_B A 49 ? B -1 ? 19 1
|
| 1652 |
+
1 A G 7 1_555 B U 5 1_555 -2.284 -0.482 -0.139 3.925 -16.567 1.316 5 A_G50:U-2_B A 50 ? B -2 ? 28 ?
|
| 1653 |
+
1 A C 8 1_555 B G 4 1_555 0.227 -0.167 0.031 2.733 -12.257 2.085 6 A_C51:G-3_B A 51 ? B -3 ? 19 1
|
| 1654 |
+
1 A U 9 1_555 B A 3 1_555 -0.080 0.151 0.170 -2.132 -15.026 6.636 7 A_U52:A-4_B A 52 ? B -4 ? 20 1
|
| 1655 |
+
1 A G 10 1_555 B C 2 1_555 -0.431 -0.068 0.232 -6.616 -12.425 1.331 8 A_G53:C-5_B A 53 ? B -5 ? 19 1
|
| 1656 |
+
#
|
| 1657 |
+
loop_
|
| 1658 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1659 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1660 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1661 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1662 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1663 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1664 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1665 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1666 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1667 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1668 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1669 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1670 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1671 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1672 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1673 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1674 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1675 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1676 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1677 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1678 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1679 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1680 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1681 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1682 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1683 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1684 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1685 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1686 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1687 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1688 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1689 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1690 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1691 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1692 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1693 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1694 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1695 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1696 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1697 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1698 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1699 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1700 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1701 |
+
1 A G 2 1_555 B C 11 1_555 A U 3 1_555 B A 10 1_555 0.020 -1.059 3.052 -0.486 5.705 31.261 -2.880 -0.118 2.819 10.476 0.893
|
| 1702 |
+
31.769 1 AA_G45U46:A4C5_BB A 45 ? B 5 ? A 46 ? B 4 ?
|
| 1703 |
+
1 A A 5 1_555 B G 7 1_555 A G 6 1_555 B C 6 1_555 0.936 -1.277 3.383 -3.065 2.566 61.807 -1.362 -1.054 3.288 2.496 2.980
|
| 1704 |
+
61.923 2 AA_A48G49:C-1G1_BB A 48 ? B 1 ? A 49 ? B -1 ?
|
| 1705 |
+
1 A G 6 1_555 B C 6 1_555 A G 7 1_555 B U 5 1_555 -0.217 -1.925 3.122 -4.943 9.206 27.190 -5.581 -0.507 2.361 18.727 10.054
|
| 1706 |
+
29.094 3 AA_G49G50:U-2C-1_BB A 49 ? B -1 ? A 50 ? B -2 ?
|
| 1707 |
+
1 A G 7 1_555 B U 5 1_555 A C 8 1_555 B G 4 1_555 0.028 -1.188 3.311 -3.186 3.332 42.502 -1.963 -0.357 3.203 4.580 4.379
|
| 1708 |
+
42.740 4 AA_G50C51:G-3U-2_BB A 50 ? B -2 ? A 51 ? B -3 ?
|
| 1709 |
+
1 A C 8 1_555 B G 4 1_555 A U 9 1_555 B A 3 1_555 0.260 -1.595 3.338 1.400 6.758 32.294 -3.924 -0.226 2.961 11.980 -2.481
|
| 1710 |
+
33.004 5 AA_C51U52:A-4G-3_BB A 51 ? B -3 ? A 52 ? B -4 ?
|
| 1711 |
+
1 A U 9 1_555 B A 3 1_555 A G 10 1_555 B C 2 1_555 -0.311 -1.884 3.174 -3.045 12.385 26.223 -6.056 0.052 2.109 25.470 6.262
|
| 1712 |
+
29.112 6 AA_U52G53:C-5A-4_BB A 52 ? B -4 ? A 53 ? B -5 ?
|
| 1713 |
+
#
|
| 1714 |
+
loop_
|
| 1715 |
+
_pdbx_entity_nonpoly.entity_id
|
| 1716 |
+
_pdbx_entity_nonpoly.name
|
| 1717 |
+
_pdbx_entity_nonpoly.comp_id
|
| 1718 |
+
3 'MAGNESIUM ION' MG
|
| 1719 |
+
4 water HOH
|
| 1720 |
+
#
|
| 1721 |
+
_pdbx_initial_refinement_model.id 1
|
| 1722 |
+
_pdbx_initial_refinement_model.entity_id_list ?
|
| 1723 |
+
_pdbx_initial_refinement_model.type 'experimental model'
|
| 1724 |
+
_pdbx_initial_refinement_model.source_name PDB
|
| 1725 |
+
_pdbx_initial_refinement_model.accession_code 3FTM
|
| 1726 |
+
_pdbx_initial_refinement_model.details 'PDB ENTRY 3FTM'
|
| 1727 |
+
#
|
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