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- structures/1bj2.cif +0 -0
- structures/1gtf.cif +0 -0
- structures/1i4c.cif +1440 -0
- structures/1k4a.cif +0 -0
- structures/1kaj.cif +0 -0
- structures/1r9s.cif +0 -0
- structures/1rc7.cif +0 -0
- structures/1rng.cif +0 -0
- structures/1yfg.cif +0 -0
- structures/2b57.cif +0 -0
- structures/2eew.cif +0 -0
- structures/2kgp.cif +0 -0
- structures/2krp.cif +0 -0
- structures/2krq.cif +0 -0
- structures/2n6w.cif +0 -0
- structures/2nbx.cif +0 -0
- structures/2nuf.cif +0 -0
- structures/3a6p.cif +0 -0
- structures/3am1.cif +0 -0
- structures/3d0u.cif +0 -0
- structures/3j0l.cif +0 -0
- structures/3j2d.cif +0 -0
- structures/3j3w.cif +0 -0
- structures/3jd5.cif +0 -0
- structures/3jq4.cif +0 -0
- structures/3ouy.cif +0 -0
- structures/3ovb.cif +0 -0
- structures/3sqw.cif +0 -0
- structures/3vyx.cif +0 -0
- structures/4fe5.cif +0 -0
- structures/4m59.cif +0 -0
- structures/4x4s.cif +0 -0
- structures/4z4f.cif +0 -0
- structures/5ef3.cif +0 -0
- structures/5id6.cif +0 -0
- structures/5une.cif +0 -0
- structures/5uz6.cif +0 -0
- structures/5uza.cif +0 -0
- structures/5wti.cif +0 -0
- structures/5wwe.cif +0 -0
- structures/5wwr.cif +0 -0
- structures/6e82.cif +0 -0
- structures/6e8s.cif +0 -0
- structures/6exn.cif +0 -0
- structures/6ez0.cif +0 -0
- structures/6gc0.cif +0 -0
- structures/6gzr.cif +0 -0
- structures/6p4h.cif +0 -0
- structures/6r7g.cif +0 -0
- structures/6uey.cif +0 -0
structures/1bj2.cif
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structures/1gtf.cif
ADDED
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The diff for this file is too large to render.
See raw diff
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structures/1i4c.cif
ADDED
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|
| 1 |
+
data_1I4C
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1I4C
|
| 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 1I4C pdb_00001i4c 10.2210/pdb1i4c/pdb
|
| 15 |
+
RCSB RCSB012887 ? ?
|
| 16 |
+
WWPDB D_1000012887 ? ?
|
| 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' 2 0 2022-02-23
|
| 28 |
+
5 'Structure model' 2 1 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' 'Atomic model'
|
| 46 |
+
4 4 'Structure model' 'Data collection'
|
| 47 |
+
5 4 'Structure model' 'Database references'
|
| 48 |
+
6 4 'Structure model' 'Derived calculations'
|
| 49 |
+
7 5 'Structure model' 'Data collection'
|
| 50 |
+
#
|
| 51 |
+
loop_
|
| 52 |
+
_pdbx_audit_revision_category.ordinal
|
| 53 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 54 |
+
_pdbx_audit_revision_category.data_content_type
|
| 55 |
+
_pdbx_audit_revision_category.category
|
| 56 |
+
1 4 'Structure model' atom_site
|
| 57 |
+
2 4 'Structure model' database_2
|
| 58 |
+
3 4 'Structure model' pdbx_nmr_software
|
| 59 |
+
4 4 'Structure model' pdbx_nmr_spectrometer
|
| 60 |
+
5 4 'Structure model' pdbx_struct_assembly
|
| 61 |
+
6 4 'Structure model' pdbx_struct_oper_list
|
| 62 |
+
7 5 'Structure model' chem_comp_atom
|
| 63 |
+
8 5 'Structure model' chem_comp_bond
|
| 64 |
+
#
|
| 65 |
+
loop_
|
| 66 |
+
_pdbx_audit_revision_item.ordinal
|
| 67 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 68 |
+
_pdbx_audit_revision_item.data_content_type
|
| 69 |
+
_pdbx_audit_revision_item.item
|
| 70 |
+
1 4 'Structure model' '_atom_site.B_iso_or_equiv'
|
| 71 |
+
2 4 'Structure model' '_atom_site.Cartn_x'
|
| 72 |
+
3 4 'Structure model' '_atom_site.Cartn_y'
|
| 73 |
+
4 4 'Structure model' '_atom_site.Cartn_z'
|
| 74 |
+
5 4 'Structure model' '_atom_site.auth_atom_id'
|
| 75 |
+
6 4 'Structure model' '_atom_site.label_atom_id'
|
| 76 |
+
7 4 'Structure model' '_database_2.pdbx_DOI'
|
| 77 |
+
8 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 78 |
+
9 4 'Structure model' '_pdbx_nmr_software.name'
|
| 79 |
+
10 4 'Structure model' '_pdbx_nmr_spectrometer.model'
|
| 80 |
+
#
|
| 81 |
+
_database_PDB_caveat.id 1
|
| 82 |
+
_database_PDB_caveat.text 'incorrect carbon chiral center(s)'
|
| 83 |
+
#
|
| 84 |
+
_pdbx_database_status.status_code REL
|
| 85 |
+
_pdbx_database_status.entry_id 1I4C
|
| 86 |
+
_pdbx_database_status.recvd_initial_deposition_date 2001-02-20
|
| 87 |
+
_pdbx_database_status.deposit_site RCSB
|
| 88 |
+
_pdbx_database_status.process_site RCSB
|
| 89 |
+
_pdbx_database_status.status_code_mr REL
|
| 90 |
+
_pdbx_database_status.SG_entry .
|
| 91 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 92 |
+
_pdbx_database_status.status_code_sf ?
|
| 93 |
+
_pdbx_database_status.status_code_cs ?
|
| 94 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 95 |
+
_pdbx_database_status.methods_development_category ?
|
| 96 |
+
#
|
| 97 |
+
loop_
|
| 98 |
+
_pdbx_database_related.db_name
|
| 99 |
+
_pdbx_database_related.db_id
|
| 100 |
+
_pdbx_database_related.details
|
| 101 |
+
_pdbx_database_related.content_type
|
| 102 |
+
PDB 1ESH
|
| 103 |
+
;the solution structure of the wild type stem loop C 5'AUA3' triloop of Brome Mosaic Virus (+) RNA.
|
| 104 |
+
;
|
| 105 |
+
unspecified
|
| 106 |
+
PDB 1I46
|
| 107 |
+
;the solution structure of the mutant stem loop C 5'GUA3' triloop of Brome Mosaic Virus (+) RNA
|
| 108 |
+
;
|
| 109 |
+
unspecified
|
| 110 |
+
PDB 1I4B
|
| 111 |
+
;the solution structure of the major family of the mutant stem loop C 5'UUA3' triloop of Brome Mosaic Virus (+) RNA
|
| 112 |
+
;
|
| 113 |
+
unspecified
|
| 114 |
+
#
|
| 115 |
+
loop_
|
| 116 |
+
_audit_author.name
|
| 117 |
+
_audit_author.pdbx_ordinal
|
| 118 |
+
'Tinoco Jr., I.' 1
|
| 119 |
+
'Kim, C.-H.' 2
|
| 120 |
+
#
|
| 121 |
+
loop_
|
| 122 |
+
_citation.id
|
| 123 |
+
_citation.title
|
| 124 |
+
_citation.journal_abbrev
|
| 125 |
+
_citation.journal_volume
|
| 126 |
+
_citation.page_first
|
| 127 |
+
_citation.page_last
|
| 128 |
+
_citation.year
|
| 129 |
+
_citation.journal_id_ASTM
|
| 130 |
+
_citation.country
|
| 131 |
+
_citation.journal_id_ISSN
|
| 132 |
+
_citation.journal_id_CSD
|
| 133 |
+
_citation.book_publisher
|
| 134 |
+
_citation.pdbx_database_id_PubMed
|
| 135 |
+
_citation.pdbx_database_id_DOI
|
| 136 |
+
primary
|
| 137 |
+
'Structural and thermodynamic studies on mutant RNA motifs that impair the specificity between a viral replicase and its promoter.'
|
| 138 |
+
J.Mol.Biol. 307 827 839 2001 JMOBAK UK 0022-2836 0070 ? 11273704 10.1006/jmbi.2001.4497
|
| 139 |
+
1 'RNA motifs that determine specificity between a viral replicase and its promoter' Nat.Struct.Biol. 7 415 423 2000
|
| 140 |
+
NSBIEW US 1072-8368 2024 ? ? 10.1038/75202
|
| 141 |
+
#
|
| 142 |
+
loop_
|
| 143 |
+
_citation_author.citation_id
|
| 144 |
+
_citation_author.name
|
| 145 |
+
_citation_author.ordinal
|
| 146 |
+
_citation_author.identifier_ORCID
|
| 147 |
+
primary 'Kim, C.H.' 1 ?
|
| 148 |
+
primary 'Tinoco Jr., I.' 2 ?
|
| 149 |
+
1 'Kao, C.C.' 3 ?
|
| 150 |
+
#
|
| 151 |
+
_entity.id 1
|
| 152 |
+
_entity.type polymer
|
| 153 |
+
_entity.src_method syn
|
| 154 |
+
_entity.pdbx_description
|
| 155 |
+
;RNA (5'-R(*GP*GP*UP*GP*CP*UP*UP*AP*GP*CP*AP*CP*C)-3')
|
| 156 |
+
;
|
| 157 |
+
_entity.formula_weight 4133.501
|
| 158 |
+
_entity.pdbx_number_of_molecules 1
|
| 159 |
+
_entity.pdbx_ec ?
|
| 160 |
+
_entity.pdbx_mutation ?
|
| 161 |
+
_entity.pdbx_fragment ?
|
| 162 |
+
_entity.details
|
| 163 |
+
;THE MINOR STRUCTURAL FAMILY OF 5'UUA3' MUTANT TRILOOP.
|
| 164 |
+
;
|
| 165 |
+
#
|
| 166 |
+
_entity_poly.entity_id 1
|
| 167 |
+
_entity_poly.type polyribonucleotide
|
| 168 |
+
_entity_poly.nstd_linkage no
|
| 169 |
+
_entity_poly.nstd_monomer no
|
| 170 |
+
_entity_poly.pdbx_seq_one_letter_code GGUGCUUAGCACC
|
| 171 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGUGCUUAGCACC
|
| 172 |
+
_entity_poly.pdbx_strand_id A
|
| 173 |
+
_entity_poly.pdbx_target_identifier ?
|
| 174 |
+
#
|
| 175 |
+
loop_
|
| 176 |
+
_entity_poly_seq.entity_id
|
| 177 |
+
_entity_poly_seq.num
|
| 178 |
+
_entity_poly_seq.mon_id
|
| 179 |
+
_entity_poly_seq.hetero
|
| 180 |
+
1 1 G n
|
| 181 |
+
1 2 G n
|
| 182 |
+
1 3 U n
|
| 183 |
+
1 4 G n
|
| 184 |
+
1 5 C n
|
| 185 |
+
1 6 U n
|
| 186 |
+
1 7 U n
|
| 187 |
+
1 8 A n
|
| 188 |
+
1 9 G n
|
| 189 |
+
1 10 C n
|
| 190 |
+
1 11 A n
|
| 191 |
+
1 12 C n
|
| 192 |
+
1 13 C n
|
| 193 |
+
#
|
| 194 |
+
_pdbx_entity_src_syn.entity_id 1
|
| 195 |
+
_pdbx_entity_src_syn.pdbx_src_id 1
|
| 196 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag sample
|
| 197 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num ?
|
| 198 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num ?
|
| 199 |
+
_pdbx_entity_src_syn.organism_scientific ?
|
| 200 |
+
_pdbx_entity_src_syn.organism_common_name ?
|
| 201 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id ?
|
| 202 |
+
_pdbx_entity_src_syn.details
|
| 203 |
+
'This sequence is a mutant triloop of which wild type sequence is naturally occured in BMV (+) strand RNA'
|
| 204 |
+
#
|
| 205 |
+
loop_
|
| 206 |
+
_chem_comp.id
|
| 207 |
+
_chem_comp.type
|
| 208 |
+
_chem_comp.mon_nstd_flag
|
| 209 |
+
_chem_comp.name
|
| 210 |
+
_chem_comp.pdbx_synonyms
|
| 211 |
+
_chem_comp.formula
|
| 212 |
+
_chem_comp.formula_weight
|
| 213 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 214 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 215 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 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 G 1 1 1 G G A . n
|
| 232 |
+
A 1 2 G 2 2 2 G G A . n
|
| 233 |
+
A 1 3 U 3 3 3 U U A . n
|
| 234 |
+
A 1 4 G 4 4 4 G G A . n
|
| 235 |
+
A 1 5 C 5 5 5 C C A . n
|
| 236 |
+
A 1 6 U 6 6 6 U U A . n
|
| 237 |
+
A 1 7 U 7 7 7 U U A . n
|
| 238 |
+
A 1 8 A 8 8 8 A A 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 C 12 12 12 C C A . n
|
| 243 |
+
A 1 13 C 13 13 13 C C A . n
|
| 244 |
+
#
|
| 245 |
+
_cell.entry_id 1I4C
|
| 246 |
+
_cell.length_a 1.000
|
| 247 |
+
_cell.length_b 1.000
|
| 248 |
+
_cell.length_c 1.000
|
| 249 |
+
_cell.angle_alpha 90.00
|
| 250 |
+
_cell.angle_beta 90.00
|
| 251 |
+
_cell.angle_gamma 90.00
|
| 252 |
+
_cell.Z_PDB 1
|
| 253 |
+
_cell.pdbx_unique_axis ?
|
| 254 |
+
#
|
| 255 |
+
_symmetry.entry_id 1I4C
|
| 256 |
+
_symmetry.space_group_name_H-M 'P 1'
|
| 257 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 258 |
+
_symmetry.cell_setting ?
|
| 259 |
+
_symmetry.Int_Tables_number 1
|
| 260 |
+
#
|
| 261 |
+
_exptl.entry_id 1I4C
|
| 262 |
+
_exptl.method 'SOLUTION NMR'
|
| 263 |
+
_exptl.crystals_number ?
|
| 264 |
+
#
|
| 265 |
+
_database_PDB_matrix.entry_id 1I4C
|
| 266 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 267 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 268 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 269 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 270 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 271 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 272 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 273 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 274 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 275 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 276 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 277 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 278 |
+
#
|
| 279 |
+
_struct.entry_id 1I4C
|
| 280 |
+
_struct.title
|
| 281 |
+
;THE SOLUTION STRUCTURE OF THE MINOR FAMILY OF THE MUTANT STEM LOOP C 5'UUA3' TRILOOP OF BROME MOSAIC VIRUS (+) STRAND RNA
|
| 282 |
+
;
|
| 283 |
+
_struct.pdbx_model_details ?
|
| 284 |
+
_struct.pdbx_CASP_flag ?
|
| 285 |
+
_struct.pdbx_model_type_details 'minimized average'
|
| 286 |
+
#
|
| 287 |
+
_struct_keywords.entry_id 1I4C
|
| 288 |
+
_struct_keywords.pdbx_keywords RNA
|
| 289 |
+
_struct_keywords.text 'RNA, Stem-loop, Triloop, replication, BMV, Virus'
|
| 290 |
+
#
|
| 291 |
+
_struct_asym.id A
|
| 292 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 293 |
+
_struct_asym.pdbx_modified N
|
| 294 |
+
_struct_asym.entity_id 1
|
| 295 |
+
_struct_asym.details ?
|
| 296 |
+
#
|
| 297 |
+
_struct_ref.id 1
|
| 298 |
+
_struct_ref.entity_id 1
|
| 299 |
+
_struct_ref.db_name PDB
|
| 300 |
+
_struct_ref.db_code 1I4C
|
| 301 |
+
_struct_ref.pdbx_db_accession 1I4C
|
| 302 |
+
_struct_ref.pdbx_db_isoform ?
|
| 303 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 304 |
+
_struct_ref.pdbx_align_begin ?
|
| 305 |
+
#
|
| 306 |
+
_struct_ref_seq.align_id 1
|
| 307 |
+
_struct_ref_seq.ref_id 1
|
| 308 |
+
_struct_ref_seq.pdbx_PDB_id_code 1I4C
|
| 309 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 310 |
+
_struct_ref_seq.seq_align_beg 1
|
| 311 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 312 |
+
_struct_ref_seq.seq_align_end 13
|
| 313 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 314 |
+
_struct_ref_seq.pdbx_db_accession 1I4C
|
| 315 |
+
_struct_ref_seq.db_align_beg 1
|
| 316 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 317 |
+
_struct_ref_seq.db_align_end 13
|
| 318 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 319 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 320 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 13
|
| 321 |
+
#
|
| 322 |
+
_pdbx_struct_assembly.id 1
|
| 323 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 324 |
+
_pdbx_struct_assembly.method_details ?
|
| 325 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 326 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 327 |
+
#
|
| 328 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 329 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 330 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 331 |
+
#
|
| 332 |
+
_pdbx_struct_oper_list.id 1
|
| 333 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 334 |
+
_pdbx_struct_oper_list.name 1_555
|
| 335 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 336 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 337 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 338 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 339 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 340 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 341 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 342 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 343 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 344 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 345 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 346 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 347 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 348 |
+
#
|
| 349 |
+
_struct_biol.id 1
|
| 350 |
+
#
|
| 351 |
+
loop_
|
| 352 |
+
_struct_conn.id
|
| 353 |
+
_struct_conn.conn_type_id
|
| 354 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 355 |
+
_struct_conn.pdbx_PDB_id
|
| 356 |
+
_struct_conn.ptnr1_label_asym_id
|
| 357 |
+
_struct_conn.ptnr1_label_comp_id
|
| 358 |
+
_struct_conn.ptnr1_label_seq_id
|
| 359 |
+
_struct_conn.ptnr1_label_atom_id
|
| 360 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 361 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 362 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 363 |
+
_struct_conn.ptnr1_symmetry
|
| 364 |
+
_struct_conn.ptnr2_label_asym_id
|
| 365 |
+
_struct_conn.ptnr2_label_comp_id
|
| 366 |
+
_struct_conn.ptnr2_label_seq_id
|
| 367 |
+
_struct_conn.ptnr2_label_atom_id
|
| 368 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 369 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 370 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 371 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 372 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 373 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 374 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 375 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 376 |
+
_struct_conn.ptnr2_symmetry
|
| 377 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 378 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 379 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 380 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 381 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 382 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 383 |
+
_struct_conn.details
|
| 384 |
+
_struct_conn.pdbx_dist_value
|
| 385 |
+
_struct_conn.pdbx_value_order
|
| 386 |
+
_struct_conn.pdbx_role
|
| 387 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 388 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 389 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 390 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 391 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 392 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 393 |
+
hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 394 |
+
hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 395 |
+
hydrog9 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 10 N3 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 396 |
+
hydrog10 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 10 O2 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 397 |
+
hydrog11 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 10 N4 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 398 |
+
hydrog12 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 399 |
+
hydrog13 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 400 |
+
hydrog14 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 401 |
+
#
|
| 402 |
+
_struct_conn_type.id hydrog
|
| 403 |
+
_struct_conn_type.criteria ?
|
| 404 |
+
_struct_conn_type.reference ?
|
| 405 |
+
#
|
| 406 |
+
loop_
|
| 407 |
+
_pdbx_validate_close_contact.id
|
| 408 |
+
_pdbx_validate_close_contact.PDB_model_num
|
| 409 |
+
_pdbx_validate_close_contact.auth_atom_id_1
|
| 410 |
+
_pdbx_validate_close_contact.auth_asym_id_1
|
| 411 |
+
_pdbx_validate_close_contact.auth_comp_id_1
|
| 412 |
+
_pdbx_validate_close_contact.auth_seq_id_1
|
| 413 |
+
_pdbx_validate_close_contact.PDB_ins_code_1
|
| 414 |
+
_pdbx_validate_close_contact.label_alt_id_1
|
| 415 |
+
_pdbx_validate_close_contact.auth_atom_id_2
|
| 416 |
+
_pdbx_validate_close_contact.auth_asym_id_2
|
| 417 |
+
_pdbx_validate_close_contact.auth_comp_id_2
|
| 418 |
+
_pdbx_validate_close_contact.auth_seq_id_2
|
| 419 |
+
_pdbx_validate_close_contact.PDB_ins_code_2
|
| 420 |
+
_pdbx_validate_close_contact.label_alt_id_2
|
| 421 |
+
_pdbx_validate_close_contact.dist
|
| 422 |
+
1 1 "HO2'" A A 11 ? ? "O4'" A C 12 ? ? 1.52
|
| 423 |
+
2 1 "HO2'" A G 9 ? ? OP1 A C 10 ? ? 1.59
|
| 424 |
+
#
|
| 425 |
+
loop_
|
| 426 |
+
_pdbx_validate_rmsd_bond.id
|
| 427 |
+
_pdbx_validate_rmsd_bond.PDB_model_num
|
| 428 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_1
|
| 429 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_1
|
| 430 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_1
|
| 431 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_1
|
| 432 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_1
|
| 433 |
+
_pdbx_validate_rmsd_bond.label_alt_id_1
|
| 434 |
+
_pdbx_validate_rmsd_bond.auth_atom_id_2
|
| 435 |
+
_pdbx_validate_rmsd_bond.auth_asym_id_2
|
| 436 |
+
_pdbx_validate_rmsd_bond.auth_comp_id_2
|
| 437 |
+
_pdbx_validate_rmsd_bond.auth_seq_id_2
|
| 438 |
+
_pdbx_validate_rmsd_bond.PDB_ins_code_2
|
| 439 |
+
_pdbx_validate_rmsd_bond.label_alt_id_2
|
| 440 |
+
_pdbx_validate_rmsd_bond.bond_value
|
| 441 |
+
_pdbx_validate_rmsd_bond.bond_target_value
|
| 442 |
+
_pdbx_validate_rmsd_bond.bond_deviation
|
| 443 |
+
_pdbx_validate_rmsd_bond.bond_standard_deviation
|
| 444 |
+
_pdbx_validate_rmsd_bond.linker_flag
|
| 445 |
+
1 1 "O5'" A G 1 ? ? "C5'" A G 1 ? ? 19.616 1.440 18.176 0.016 N
|
| 446 |
+
2 1 "C4'" A G 1 ? ? "C3'" A G 1 ? ? 20.136 1.527 18.609 0.011 N
|
| 447 |
+
3 1 "C2'" A G 1 ? ? "C1'" A G 1 ? ? 20.352 1.529 18.823 0.011 N
|
| 448 |
+
4 1 "C1'" A G 1 ? ? N9 A G 1 ? ? 20.417 1.483 18.934 0.015 N
|
| 449 |
+
5 1 "C2'" A G 1 ? ? "O2'" A G 1 ? ? 20.274 1.420 18.854 0.010 N
|
| 450 |
+
6 1 P A C 10 ? ? OP2 A C 10 ? ? 19.573 1.485 18.088 0.017 N
|
| 451 |
+
7 1 "O3'" A C 13 ? ? "C3'" A C 13 ? ? 20.432 1.427 19.005 0.012 N
|
| 452 |
+
8 1 "C2'" A C 13 ? ? "O2'" A C 13 ? ? 19.673 1.420 18.253 0.010 N
|
| 453 |
+
#
|
| 454 |
+
loop_
|
| 455 |
+
_pdbx_validate_rmsd_angle.id
|
| 456 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 457 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 458 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 459 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 460 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 461 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 462 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 463 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 464 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 465 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 466 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 467 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 468 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 469 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 470 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 471 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 472 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 473 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 474 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 475 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 476 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 477 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 478 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 479 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 480 |
+
1 1 "O5'" A G 1 ? ? "C5'" A G 1 ? ? "C4'" A G 1 ? ? 101.07 109.40 -8.33 0.80 N
|
| 481 |
+
2 1 "C5'" A G 1 ? ? "C4'" A G 1 ? ? "C3'" A G 1 ? ? 82.33 115.20 -32.87 1.40 N
|
| 482 |
+
3 1 "C4'" A G 1 ? ? "C3'" A G 1 ? ? "O3'" A G 1 ? ? 95.95 109.40 -13.45 2.10 N
|
| 483 |
+
4 1 "C3'" A G 1 ? ? "C2'" A G 1 ? ? "C1'" A G 1 ? ? 80.29 101.30 -21.01 0.70 N
|
| 484 |
+
5 1 N9 A G 1 ? ? "C1'" A G 1 ? ? "C2'" A G 1 ? ? 7.01 112.00 -104.99 1.10 N
|
| 485 |
+
6 1 "C1'" A G 1 ? ? "C2'" A G 1 ? ? "O2'" A G 1 ? ? 6.86 110.60 -103.74 3.00 N
|
| 486 |
+
7 1 "C3'" A G 1 ? ? "C2'" A G 1 ? ? "O2'" A G 1 ? ? 80.75 113.30 -32.55 2.90 N
|
| 487 |
+
8 1 C8 A G 1 ? ? N9 A G 1 ? ? "C1'" A G 1 ? ? 72.58 127.00 -54.42 1.30 N
|
| 488 |
+
9 1 C4 A G 1 ? ? N9 A G 1 ? ? "C1'" A G 1 ? ? 74.64 126.50 -51.86 1.30 N
|
| 489 |
+
10 1 "O3'" A G 9 ? ? P A C 10 ? ? OP2 A C 10 ? ? 44.84 105.20 -60.36 2.20 Y
|
| 490 |
+
11 1 OP1 A C 10 ? ? P A C 10 ? ? OP2 A C 10 ? ? 85.22 119.60 -34.38 1.50 N
|
| 491 |
+
12 1 "O5'" A C 10 ? ? P A C 10 ? ? OP2 A C 10 ? ? 74.12 105.70 -31.58 0.90 N
|
| 492 |
+
13 1 "C4'" A C 13 ? ? "C3'" A C 13 ? ? "O3'" A C 13 ? ? 26.59 109.40 -82.81 2.10 N
|
| 493 |
+
14 1 "C2'" A C 13 ? ? "C3'" A C 13 ? ? "O3'" A C 13 ? ? 87.86 109.50 -21.64 2.20 N
|
| 494 |
+
15 1 "C1'" A C 13 ? ? "C2'" A C 13 ? ? "O2'" A C 13 ? ? 12.14 110.60 -98.46 3.00 N
|
| 495 |
+
16 1 "C3'" A C 13 ? ? "C2'" A C 13 ? ? "O2'" A C 13 ? ? 94.90 113.30 -18.40 2.90 N
|
| 496 |
+
#
|
| 497 |
+
loop_
|
| 498 |
+
_pdbx_validate_chiral.id
|
| 499 |
+
_pdbx_validate_chiral.PDB_model_num
|
| 500 |
+
_pdbx_validate_chiral.auth_atom_id
|
| 501 |
+
_pdbx_validate_chiral.label_alt_id
|
| 502 |
+
_pdbx_validate_chiral.auth_asym_id
|
| 503 |
+
_pdbx_validate_chiral.auth_comp_id
|
| 504 |
+
_pdbx_validate_chiral.auth_seq_id
|
| 505 |
+
_pdbx_validate_chiral.PDB_ins_code
|
| 506 |
+
_pdbx_validate_chiral.details
|
| 507 |
+
_pdbx_validate_chiral.omega
|
| 508 |
+
1 1 "C4'" ? A G 1 ? 'WRONG HAND' .
|
| 509 |
+
2 1 "C3'" ? A G 1 ? 'WRONG HAND' .
|
| 510 |
+
3 1 "C2'" ? A G 1 ? 'WRONG HAND' .
|
| 511 |
+
4 1 "C1'" ? A G 1 ? 'WRONG HAND' .
|
| 512 |
+
5 1 "C3'" ? A C 13 ? 'WRONG HAND' .
|
| 513 |
+
#
|
| 514 |
+
_pdbx_validate_planes.id 1
|
| 515 |
+
_pdbx_validate_planes.PDB_model_num 1
|
| 516 |
+
_pdbx_validate_planes.auth_comp_id G
|
| 517 |
+
_pdbx_validate_planes.auth_asym_id A
|
| 518 |
+
_pdbx_validate_planes.auth_seq_id 1
|
| 519 |
+
_pdbx_validate_planes.PDB_ins_code ?
|
| 520 |
+
_pdbx_validate_planes.label_alt_id ?
|
| 521 |
+
_pdbx_validate_planes.rmsd 1.088
|
| 522 |
+
_pdbx_validate_planes.type 'SIDE CHAIN'
|
| 523 |
+
#
|
| 524 |
+
_pdbx_nmr_ensemble.entry_id 1I4C
|
| 525 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number ?
|
| 526 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 527 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria ?
|
| 528 |
+
#
|
| 529 |
+
_pdbx_nmr_representative.entry_id 1I4C
|
| 530 |
+
_pdbx_nmr_representative.conformer_id 1
|
| 531 |
+
_pdbx_nmr_representative.selection_criteria 'minimized average structure'
|
| 532 |
+
#
|
| 533 |
+
_pdbx_nmr_sample_details.solution_id 1
|
| 534 |
+
_pdbx_nmr_sample_details.contents
|
| 535 |
+
;2mM 5'UUA3' triloop, unlabeled, 5mM Sodium Phosphate buffer pH 6.5
|
| 536 |
+
;
|
| 537 |
+
_pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O'
|
| 538 |
+
#
|
| 539 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 540 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 283
|
| 541 |
+
_pdbx_nmr_exptl_sample_conditions.pressure ambient
|
| 542 |
+
_pdbx_nmr_exptl_sample_conditions.pH 6.5
|
| 543 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength '5mM NaCl'
|
| 544 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units ?
|
| 545 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 546 |
+
#
|
| 547 |
+
loop_
|
| 548 |
+
_pdbx_nmr_exptl.experiment_id
|
| 549 |
+
_pdbx_nmr_exptl.solution_id
|
| 550 |
+
_pdbx_nmr_exptl.conditions_id
|
| 551 |
+
_pdbx_nmr_exptl.type
|
| 552 |
+
1 1 1 '2D NOESY'
|
| 553 |
+
2 1 1 DQF-COSY
|
| 554 |
+
#
|
| 555 |
+
_pdbx_nmr_refine.entry_id 1I4C
|
| 556 |
+
_pdbx_nmr_refine.method 'simulated annealing'
|
| 557 |
+
_pdbx_nmr_refine.details ?
|
| 558 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 559 |
+
#
|
| 560 |
+
loop_
|
| 561 |
+
_pdbx_nmr_software.name
|
| 562 |
+
_pdbx_nmr_software.version
|
| 563 |
+
_pdbx_nmr_software.classification
|
| 564 |
+
_pdbx_nmr_software.authors
|
| 565 |
+
_pdbx_nmr_software.ordinal
|
| 566 |
+
Felix 95 'data analysis' ? 1
|
| 567 |
+
X-PLOR 3.1 'structure solution' 'Brunger, A.' 2
|
| 568 |
+
X-PLOR 3.1 refinement 'Brunger, A.' 3
|
| 569 |
+
#
|
| 570 |
+
loop_
|
| 571 |
+
_chem_comp_atom.comp_id
|
| 572 |
+
_chem_comp_atom.atom_id
|
| 573 |
+
_chem_comp_atom.type_symbol
|
| 574 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 575 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 576 |
+
_chem_comp_atom.pdbx_ordinal
|
| 577 |
+
A OP3 O N N 1
|
| 578 |
+
A P P N N 2
|
| 579 |
+
A OP1 O N N 3
|
| 580 |
+
A OP2 O N N 4
|
| 581 |
+
A "O5'" O N N 5
|
| 582 |
+
A "C5'" C N N 6
|
| 583 |
+
A "C4'" C N R 7
|
| 584 |
+
A "O4'" O N N 8
|
| 585 |
+
A "C3'" C N S 9
|
| 586 |
+
A "O3'" O N N 10
|
| 587 |
+
A "C2'" C N R 11
|
| 588 |
+
A "O2'" O N N 12
|
| 589 |
+
A "C1'" C N R 13
|
| 590 |
+
A N9 N Y N 14
|
| 591 |
+
A C8 C Y N 15
|
| 592 |
+
A N7 N Y N 16
|
| 593 |
+
A C5 C Y N 17
|
| 594 |
+
A C6 C Y N 18
|
| 595 |
+
A N6 N N N 19
|
| 596 |
+
A N1 N Y N 20
|
| 597 |
+
A C2 C Y N 21
|
| 598 |
+
A N3 N Y N 22
|
| 599 |
+
A C4 C Y N 23
|
| 600 |
+
A HOP3 H N N 24
|
| 601 |
+
A HOP2 H N N 25
|
| 602 |
+
A "H5'" H N N 26
|
| 603 |
+
A "H5''" H N N 27
|
| 604 |
+
A "H4'" H N N 28
|
| 605 |
+
A "H3'" H N N 29
|
| 606 |
+
A "HO3'" H N N 30
|
| 607 |
+
A "H2'" H N N 31
|
| 608 |
+
A "HO2'" H N N 32
|
| 609 |
+
A "H1'" H N N 33
|
| 610 |
+
A H8 H N N 34
|
| 611 |
+
A H61 H N N 35
|
| 612 |
+
A H62 H N N 36
|
| 613 |
+
A H2 H N N 37
|
| 614 |
+
C OP3 O N N 38
|
| 615 |
+
C P P N N 39
|
| 616 |
+
C OP1 O N N 40
|
| 617 |
+
C OP2 O N N 41
|
| 618 |
+
C "O5'" O N N 42
|
| 619 |
+
C "C5'" C N N 43
|
| 620 |
+
C "C4'" C N R 44
|
| 621 |
+
C "O4'" O N N 45
|
| 622 |
+
C "C3'" C N S 46
|
| 623 |
+
C "O3'" O N N 47
|
| 624 |
+
C "C2'" C N R 48
|
| 625 |
+
C "O2'" O N N 49
|
| 626 |
+
C "C1'" C N R 50
|
| 627 |
+
C N1 N N N 51
|
| 628 |
+
C C2 C N N 52
|
| 629 |
+
C O2 O N N 53
|
| 630 |
+
C N3 N N N 54
|
| 631 |
+
C C4 C N N 55
|
| 632 |
+
C N4 N N N 56
|
| 633 |
+
C C5 C N N 57
|
| 634 |
+
C C6 C N N 58
|
| 635 |
+
C HOP3 H N N 59
|
| 636 |
+
C HOP2 H N N 60
|
| 637 |
+
C "H5'" H N N 61
|
| 638 |
+
C "H5''" H N N 62
|
| 639 |
+
C "H4'" H N N 63
|
| 640 |
+
C "H3'" H N N 64
|
| 641 |
+
C "HO3'" H N N 65
|
| 642 |
+
C "H2'" H N N 66
|
| 643 |
+
C "HO2'" H N N 67
|
| 644 |
+
C "H1'" H N N 68
|
| 645 |
+
C H41 H N N 69
|
| 646 |
+
C H42 H N N 70
|
| 647 |
+
C H5 H N N 71
|
| 648 |
+
C H6 H N N 72
|
| 649 |
+
G OP3 O N N 73
|
| 650 |
+
G P P N N 74
|
| 651 |
+
G OP1 O N N 75
|
| 652 |
+
G OP2 O N N 76
|
| 653 |
+
G "O5'" O N N 77
|
| 654 |
+
G "C5'" C N N 78
|
| 655 |
+
G "C4'" C N R 79
|
| 656 |
+
G "O4'" O N N 80
|
| 657 |
+
G "C3'" C N S 81
|
| 658 |
+
G "O3'" O N N 82
|
| 659 |
+
G "C2'" C N R 83
|
| 660 |
+
G "O2'" O N N 84
|
| 661 |
+
G "C1'" C N R 85
|
| 662 |
+
G N9 N Y N 86
|
| 663 |
+
G C8 C Y N 87
|
| 664 |
+
G N7 N Y N 88
|
| 665 |
+
G C5 C Y N 89
|
| 666 |
+
G C6 C N N 90
|
| 667 |
+
G O6 O N N 91
|
| 668 |
+
G N1 N N N 92
|
| 669 |
+
G C2 C N N 93
|
| 670 |
+
G N2 N N N 94
|
| 671 |
+
G N3 N N N 95
|
| 672 |
+
G C4 C Y N 96
|
| 673 |
+
G HOP3 H N N 97
|
| 674 |
+
G HOP2 H N N 98
|
| 675 |
+
G "H5'" H N N 99
|
| 676 |
+
G "H5''" H N N 100
|
| 677 |
+
G "H4'" H N N 101
|
| 678 |
+
G "H3'" H N N 102
|
| 679 |
+
G "HO3'" H N N 103
|
| 680 |
+
G "H2'" H N N 104
|
| 681 |
+
G "HO2'" H N N 105
|
| 682 |
+
G "H1'" H N N 106
|
| 683 |
+
G H8 H N N 107
|
| 684 |
+
G H1 H N N 108
|
| 685 |
+
G H21 H N N 109
|
| 686 |
+
G H22 H N N 110
|
| 687 |
+
U OP3 O N N 111
|
| 688 |
+
U P P N N 112
|
| 689 |
+
U OP1 O N N 113
|
| 690 |
+
U OP2 O N N 114
|
| 691 |
+
U "O5'" O N N 115
|
| 692 |
+
U "C5'" C N N 116
|
| 693 |
+
U "C4'" C N R 117
|
| 694 |
+
U "O4'" O N N 118
|
| 695 |
+
U "C3'" C N S 119
|
| 696 |
+
U "O3'" O N N 120
|
| 697 |
+
U "C2'" C N R 121
|
| 698 |
+
U "O2'" O N N 122
|
| 699 |
+
U "C1'" C N R 123
|
| 700 |
+
U N1 N N N 124
|
| 701 |
+
U C2 C N N 125
|
| 702 |
+
U O2 O N N 126
|
| 703 |
+
U N3 N N N 127
|
| 704 |
+
U C4 C N N 128
|
| 705 |
+
U O4 O N N 129
|
| 706 |
+
U C5 C N N 130
|
| 707 |
+
U C6 C N N 131
|
| 708 |
+
U HOP3 H N N 132
|
| 709 |
+
U HOP2 H N N 133
|
| 710 |
+
U "H5'" H N N 134
|
| 711 |
+
U "H5''" H N N 135
|
| 712 |
+
U "H4'" H N N 136
|
| 713 |
+
U "H3'" H N N 137
|
| 714 |
+
U "HO3'" H N N 138
|
| 715 |
+
U "H2'" H N N 139
|
| 716 |
+
U "HO2'" H N N 140
|
| 717 |
+
U "H1'" H N N 141
|
| 718 |
+
U H3 H N N 142
|
| 719 |
+
U H5 H N N 143
|
| 720 |
+
U H6 H N N 144
|
| 721 |
+
#
|
| 722 |
+
loop_
|
| 723 |
+
_chem_comp_bond.comp_id
|
| 724 |
+
_chem_comp_bond.atom_id_1
|
| 725 |
+
_chem_comp_bond.atom_id_2
|
| 726 |
+
_chem_comp_bond.value_order
|
| 727 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 728 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 729 |
+
_chem_comp_bond.pdbx_ordinal
|
| 730 |
+
A OP3 P sing N N 1
|
| 731 |
+
A OP3 HOP3 sing N N 2
|
| 732 |
+
A P OP1 doub N N 3
|
| 733 |
+
A P OP2 sing N N 4
|
| 734 |
+
A P "O5'" sing N N 5
|
| 735 |
+
A OP2 HOP2 sing N N 6
|
| 736 |
+
A "O5'" "C5'" sing N N 7
|
| 737 |
+
A "C5'" "C4'" sing N N 8
|
| 738 |
+
A "C5'" "H5'" sing N N 9
|
| 739 |
+
A "C5'" "H5''" sing N N 10
|
| 740 |
+
A "C4'" "O4'" sing N N 11
|
| 741 |
+
A "C4'" "C3'" sing N N 12
|
| 742 |
+
A "C4'" "H4'" sing N N 13
|
| 743 |
+
A "O4'" "C1'" sing N N 14
|
| 744 |
+
A "C3'" "O3'" sing N N 15
|
| 745 |
+
A "C3'" "C2'" sing N N 16
|
| 746 |
+
A "C3'" "H3'" sing N N 17
|
| 747 |
+
A "O3'" "HO3'" sing N N 18
|
| 748 |
+
A "C2'" "O2'" sing N N 19
|
| 749 |
+
A "C2'" "C1'" sing N N 20
|
| 750 |
+
A "C2'" "H2'" sing N N 21
|
| 751 |
+
A "O2'" "HO2'" sing N N 22
|
| 752 |
+
A "C1'" N9 sing N N 23
|
| 753 |
+
A "C1'" "H1'" sing N N 24
|
| 754 |
+
A N9 C8 sing Y N 25
|
| 755 |
+
A N9 C4 sing Y N 26
|
| 756 |
+
A C8 N7 doub Y N 27
|
| 757 |
+
A C8 H8 sing N N 28
|
| 758 |
+
A N7 C5 sing Y N 29
|
| 759 |
+
A C5 C6 sing Y N 30
|
| 760 |
+
A C5 C4 doub Y N 31
|
| 761 |
+
A C6 N6 sing N N 32
|
| 762 |
+
A C6 N1 doub Y N 33
|
| 763 |
+
A N6 H61 sing N N 34
|
| 764 |
+
A N6 H62 sing N N 35
|
| 765 |
+
A N1 C2 sing Y N 36
|
| 766 |
+
A C2 N3 doub Y N 37
|
| 767 |
+
A C2 H2 sing N N 38
|
| 768 |
+
A N3 C4 sing Y N 39
|
| 769 |
+
C OP3 P sing N N 40
|
| 770 |
+
C OP3 HOP3 sing N N 41
|
| 771 |
+
C P OP1 doub N N 42
|
| 772 |
+
C P OP2 sing N N 43
|
| 773 |
+
C P "O5'" sing N N 44
|
| 774 |
+
C OP2 HOP2 sing N N 45
|
| 775 |
+
C "O5'" "C5'" sing N N 46
|
| 776 |
+
C "C5'" "C4'" sing N N 47
|
| 777 |
+
C "C5'" "H5'" sing N N 48
|
| 778 |
+
C "C5'" "H5''" sing N N 49
|
| 779 |
+
C "C4'" "O4'" sing N N 50
|
| 780 |
+
C "C4'" "C3'" sing N N 51
|
| 781 |
+
C "C4'" "H4'" sing N N 52
|
| 782 |
+
C "O4'" "C1'" sing N N 53
|
| 783 |
+
C "C3'" "O3'" sing N N 54
|
| 784 |
+
C "C3'" "C2'" sing N N 55
|
| 785 |
+
C "C3'" "H3'" sing N N 56
|
| 786 |
+
C "O3'" "HO3'" sing N N 57
|
| 787 |
+
C "C2'" "O2'" sing N N 58
|
| 788 |
+
C "C2'" "C1'" sing N N 59
|
| 789 |
+
C "C2'" "H2'" sing N N 60
|
| 790 |
+
C "O2'" "HO2'" sing N N 61
|
| 791 |
+
C "C1'" N1 sing N N 62
|
| 792 |
+
C "C1'" "H1'" sing N N 63
|
| 793 |
+
C N1 C2 sing N N 64
|
| 794 |
+
C N1 C6 sing N N 65
|
| 795 |
+
C C2 O2 doub N N 66
|
| 796 |
+
C C2 N3 sing N N 67
|
| 797 |
+
C N3 C4 doub N N 68
|
| 798 |
+
C C4 N4 sing N N 69
|
| 799 |
+
C C4 C5 sing N N 70
|
| 800 |
+
C N4 H41 sing N N 71
|
| 801 |
+
C N4 H42 sing N N 72
|
| 802 |
+
C C5 C6 doub N N 73
|
| 803 |
+
C C5 H5 sing N N 74
|
| 804 |
+
C C6 H6 sing N N 75
|
| 805 |
+
G OP3 P sing N N 76
|
| 806 |
+
G OP3 HOP3 sing N N 77
|
| 807 |
+
G P OP1 doub N N 78
|
| 808 |
+
G P OP2 sing N N 79
|
| 809 |
+
G P "O5'" sing N N 80
|
| 810 |
+
G OP2 HOP2 sing N N 81
|
| 811 |
+
G "O5'" "C5'" sing N N 82
|
| 812 |
+
G "C5'" "C4'" sing N N 83
|
| 813 |
+
G "C5'" "H5'" sing N N 84
|
| 814 |
+
G "C5'" "H5''" sing N N 85
|
| 815 |
+
G "C4'" "O4'" sing N N 86
|
| 816 |
+
G "C4'" "C3'" sing N N 87
|
| 817 |
+
G "C4'" "H4'" sing N N 88
|
| 818 |
+
G "O4'" "C1'" sing N N 89
|
| 819 |
+
G "C3'" "O3'" sing N N 90
|
| 820 |
+
G "C3'" "C2'" sing N N 91
|
| 821 |
+
G "C3'" "H3'" sing N N 92
|
| 822 |
+
G "O3'" "HO3'" sing N N 93
|
| 823 |
+
G "C2'" "O2'" sing N N 94
|
| 824 |
+
G "C2'" "C1'" sing N N 95
|
| 825 |
+
G "C2'" "H2'" sing N N 96
|
| 826 |
+
G "O2'" "HO2'" sing N N 97
|
| 827 |
+
G "C1'" N9 sing N N 98
|
| 828 |
+
G "C1'" "H1'" sing N N 99
|
| 829 |
+
G N9 C8 sing Y N 100
|
| 830 |
+
G N9 C4 sing Y N 101
|
| 831 |
+
G C8 N7 doub Y N 102
|
| 832 |
+
G C8 H8 sing N N 103
|
| 833 |
+
G N7 C5 sing Y N 104
|
| 834 |
+
G C5 C6 sing N N 105
|
| 835 |
+
G C5 C4 doub Y N 106
|
| 836 |
+
G C6 O6 doub N N 107
|
| 837 |
+
G C6 N1 sing N N 108
|
| 838 |
+
G N1 C2 sing N N 109
|
| 839 |
+
G N1 H1 sing N N 110
|
| 840 |
+
G C2 N2 sing N N 111
|
| 841 |
+
G C2 N3 doub N N 112
|
| 842 |
+
G N2 H21 sing N N 113
|
| 843 |
+
G N2 H22 sing N N 114
|
| 844 |
+
G N3 C4 sing N N 115
|
| 845 |
+
U OP3 P sing N N 116
|
| 846 |
+
U OP3 HOP3 sing N N 117
|
| 847 |
+
U P OP1 doub N N 118
|
| 848 |
+
U P OP2 sing N N 119
|
| 849 |
+
U P "O5'" sing N N 120
|
| 850 |
+
U OP2 HOP2 sing N N 121
|
| 851 |
+
U "O5'" "C5'" sing N N 122
|
| 852 |
+
U "C5'" "C4'" sing N N 123
|
| 853 |
+
U "C5'" "H5'" sing N N 124
|
| 854 |
+
U "C5'" "H5''" sing N N 125
|
| 855 |
+
U "C4'" "O4'" sing N N 126
|
| 856 |
+
U "C4'" "C3'" sing N N 127
|
| 857 |
+
U "C4'" "H4'" sing N N 128
|
| 858 |
+
U "O4'" "C1'" sing N N 129
|
| 859 |
+
U "C3'" "O3'" sing N N 130
|
| 860 |
+
U "C3'" "C2'" sing N N 131
|
| 861 |
+
U "C3'" "H3'" sing N N 132
|
| 862 |
+
U "O3'" "HO3'" sing N N 133
|
| 863 |
+
U "C2'" "O2'" sing N N 134
|
| 864 |
+
U "C2'" "C1'" sing N N 135
|
| 865 |
+
U "C2'" "H2'" sing N N 136
|
| 866 |
+
U "O2'" "HO2'" sing N N 137
|
| 867 |
+
U "C1'" N1 sing N N 138
|
| 868 |
+
U "C1'" "H1'" sing N N 139
|
| 869 |
+
U N1 C2 sing N N 140
|
| 870 |
+
U N1 C6 sing N N 141
|
| 871 |
+
U C2 O2 doub N N 142
|
| 872 |
+
U C2 N3 sing N N 143
|
| 873 |
+
U N3 C4 sing N N 144
|
| 874 |
+
U N3 H3 sing N N 145
|
| 875 |
+
U C4 O4 doub N N 146
|
| 876 |
+
U C4 C5 sing N N 147
|
| 877 |
+
U C5 C6 doub N N 148
|
| 878 |
+
U C5 H5 sing N N 149
|
| 879 |
+
U C6 H6 sing N N 150
|
| 880 |
+
#
|
| 881 |
+
loop_
|
| 882 |
+
_ndb_struct_conf_na.entry_id
|
| 883 |
+
_ndb_struct_conf_na.feature
|
| 884 |
+
1I4C 'double helix'
|
| 885 |
+
1I4C 'hairpin loop'
|
| 886 |
+
#
|
| 887 |
+
loop_
|
| 888 |
+
_ndb_struct_na_base_pair.model_number
|
| 889 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 890 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 891 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 892 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 893 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 894 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 895 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 896 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 897 |
+
_ndb_struct_na_base_pair.shear
|
| 898 |
+
_ndb_struct_na_base_pair.stretch
|
| 899 |
+
_ndb_struct_na_base_pair.stagger
|
| 900 |
+
_ndb_struct_na_base_pair.buckle
|
| 901 |
+
_ndb_struct_na_base_pair.propeller
|
| 902 |
+
_ndb_struct_na_base_pair.opening
|
| 903 |
+
_ndb_struct_na_base_pair.pair_number
|
| 904 |
+
_ndb_struct_na_base_pair.pair_name
|
| 905 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 906 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 907 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 908 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 909 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 910 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 911 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 912 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 913 |
+
1 A G 1 1_555 A C 13 1_555 -0.290 -0.208 -0.669 -20.727 -9.417 -3.087 1 A_G1:C13_A A 1 ? A 13 ? 19 1
|
| 914 |
+
1 A G 2 1_555 A C 12 1_555 -0.339 -0.227 -0.307 -9.624 -23.274 -3.092 2 A_G2:C12_A A 2 ? A 12 ? 19 1
|
| 915 |
+
1 A U 3 1_555 A A 11 1_555 -0.219 -0.282 -0.573 9.349 -28.382 -5.288 3 A_U3:A11_A A 3 ? A 11 ? 20 1
|
| 916 |
+
1 A G 4 1_555 A C 10 1_555 -0.178 -0.279 -0.075 -2.848 -30.462 -1.705 4 A_G4:C10_A A 4 ? A 10 ? 19 1
|
| 917 |
+
1 A C 5 1_555 A G 9 1_555 0.255 -0.335 -0.358 -7.173 -14.007 4.029 5 A_C5:G9_A A 5 ? A 9 ? 19 1
|
| 918 |
+
#
|
| 919 |
+
loop_
|
| 920 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 921 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 922 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 923 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 924 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 925 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 926 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 927 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 928 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 929 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 930 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 931 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 932 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 933 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 934 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 935 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 936 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 937 |
+
_ndb_struct_na_base_pair_step.shift
|
| 938 |
+
_ndb_struct_na_base_pair_step.slide
|
| 939 |
+
_ndb_struct_na_base_pair_step.rise
|
| 940 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 941 |
+
_ndb_struct_na_base_pair_step.roll
|
| 942 |
+
_ndb_struct_na_base_pair_step.twist
|
| 943 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 944 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 945 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 946 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 947 |
+
_ndb_struct_na_base_pair_step.tip
|
| 948 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 949 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 950 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 951 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 952 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 953 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 954 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 955 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 956 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 957 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 958 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 959 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 960 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 961 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 962 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 963 |
+
1 A G 1 1_555 A C 13 1_555 A G 2 1_555 A C 12 1_555 -1.425 -0.899 2.963 -1.253 3.699 34.156 -2.041 2.235 2.902 6.273 2.125
|
| 964 |
+
34.372 1 AA_G1G2:C12C13_AA A 1 ? A 13 ? A 2 ? A 12 ?
|
| 965 |
+
1 A G 2 1_555 A C 12 1_555 A U 3 1_555 A A 11 1_555 -0.163 -0.411 2.941 0.997 0.855 30.020 -0.950 0.498 2.922 1.649 -1.924
|
| 966 |
+
30.049 2 AA_G2U3:A11C12_AA A 2 ? A 12 ? A 3 ? A 11 ?
|
| 967 |
+
1 A U 3 1_555 A A 11 1_555 A G 4 1_555 A C 10 1_555 -0.122 -1.341 3.322 -4.006 31.965 31.258 -4.327 -0.160 1.432 46.623 5.842
|
| 968 |
+
44.597 3 AA_U3G4:C10A11_AA A 3 ? A 11 ? A 4 ? A 10 ?
|
| 969 |
+
1 A G 4 1_555 A C 10 1_555 A C 5 1_555 A G 9 1_555 1.511 -0.201 2.909 10.059 1.252 39.457 -0.420 -1.118 3.177 1.818 -14.609
|
| 970 |
+
40.688 4 AA_G4C5:G9C10_AA A 4 ? A 10 ? A 5 ? A 9 ?
|
| 971 |
+
#
|
| 972 |
+
loop_
|
| 973 |
+
_pdbx_nmr_spectrometer.spectrometer_id
|
| 974 |
+
_pdbx_nmr_spectrometer.type
|
| 975 |
+
_pdbx_nmr_spectrometer.manufacturer
|
| 976 |
+
_pdbx_nmr_spectrometer.model
|
| 977 |
+
_pdbx_nmr_spectrometer.field_strength
|
| 978 |
+
1 ? Bruker AVANCE 500
|
| 979 |
+
2 ? Bruker AMX 600
|
| 980 |
+
#
|
| 981 |
+
_atom_sites.entry_id 1I4C
|
| 982 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 983 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 984 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 985 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 986 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 987 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 988 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 989 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 990 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 991 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 992 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 993 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 994 |
+
#
|
| 995 |
+
loop_
|
| 996 |
+
_atom_type.symbol
|
| 997 |
+
C
|
| 998 |
+
H
|
| 999 |
+
N
|
| 1000 |
+
O
|
| 1001 |
+
P
|
| 1002 |
+
#
|
| 1003 |
+
loop_
|
| 1004 |
+
_atom_site.group_PDB
|
| 1005 |
+
_atom_site.id
|
| 1006 |
+
_atom_site.type_symbol
|
| 1007 |
+
_atom_site.label_atom_id
|
| 1008 |
+
_atom_site.label_alt_id
|
| 1009 |
+
_atom_site.label_comp_id
|
| 1010 |
+
_atom_site.label_asym_id
|
| 1011 |
+
_atom_site.label_entity_id
|
| 1012 |
+
_atom_site.label_seq_id
|
| 1013 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1014 |
+
_atom_site.Cartn_x
|
| 1015 |
+
_atom_site.Cartn_y
|
| 1016 |
+
_atom_site.Cartn_z
|
| 1017 |
+
_atom_site.occupancy
|
| 1018 |
+
_atom_site.B_iso_or_equiv
|
| 1019 |
+
_atom_site.pdbx_formal_charge
|
| 1020 |
+
_atom_site.auth_seq_id
|
| 1021 |
+
_atom_site.auth_comp_id
|
| 1022 |
+
_atom_site.auth_asym_id
|
| 1023 |
+
_atom_site.auth_atom_id
|
| 1024 |
+
_atom_site.pdbx_PDB_model_num
|
| 1025 |
+
ATOM 1 O "O5'" . G A 1 1 ? -7.699 -9.220 -1.077 1.00 1.77 ? 1 G A "O5'" 1
|
| 1026 |
+
ATOM 2 C "C5'" . G A 1 1 ? -7.667 10.378 -0.239 1.00 1.82 ? 1 G A "C5'" 1
|
| 1027 |
+
ATOM 3 C "C4'" . G A 1 1 ? -6.263 10.646 0.293 1.00 1.68 ? 1 G A "C4'" 1
|
| 1028 |
+
ATOM 4 O "O4'" . G A 1 1 ? -5.391 10.920 -0.799 1.00 1.66 ? 1 G A "O4'" 1
|
| 1029 |
+
ATOM 5 C "C3'" . G A 1 1 ? -5.607 -9.467 0.986 1.00 1.48 ? 1 G A "C3'" 1
|
| 1030 |
+
ATOM 6 O "O3'" . G A 1 1 ? -5.905 -9.577 2.380 1.00 1.49 ? 1 G A "O3'" 1
|
| 1031 |
+
ATOM 7 C "C2'" . G A 1 1 ? -4.115 -9.740 0.828 1.00 1.39 ? 1 G A "C2'" 1
|
| 1032 |
+
ATOM 8 O "O2'" . G A 1 1 ? -3.627 10.498 1.938 1.00 1.43 ? 1 G A "O2'" 1
|
| 1033 |
+
ATOM 9 C "C1'" . G A 1 1 ? -4.042 10.571 -0.458 1.00 1.50 ? 1 G A "C1'" 1
|
| 1034 |
+
ATOM 10 N N9 . G A 1 1 ? -3.455 -9.807 -1.574 1.00 1.40 ? 1 G A N9 1
|
| 1035 |
+
ATOM 11 C C8 . G A 1 1 ? -4.064 -9.351 -2.714 1.00 1.43 ? 1 G A C8 1
|
| 1036 |
+
ATOM 12 N N7 . G A 1 1 ? -3.264 -8.696 -3.509 1.00 1.32 ? 1 G A N7 1
|
| 1037 |
+
ATOM 13 C C5 . G A 1 1 ? -2.040 -8.720 -2.849 1.00 1.21 ? 1 G A C5 1
|
| 1038 |
+
ATOM 14 C C6 . G A 1 1 ? -0.787 -8.166 -3.230 1.00 1.09 ? 1 G A C6 1
|
| 1039 |
+
ATOM 15 O O6 . G A 1 1 ? -0.510 -7.534 -4.247 1.00 1.04 ? 1 G A O6 1
|
| 1040 |
+
ATOM 16 N N1 . G A 1 1 ? 0.191 -8.416 -2.280 1.00 1.05 ? 1 G A N1 1
|
| 1041 |
+
ATOM 17 C C2 . G A 1 1 ? -0.005 -9.111 -1.108 1.00 1.12 ? 1 G A C2 1
|
| 1042 |
+
ATOM 18 N N2 . G A 1 1 ? 1.049 -9.256 -0.306 1.00 1.11 ? 1 G A N2 1
|
| 1043 |
+
ATOM 19 N N3 . G A 1 1 ? -1.177 -9.634 -0.741 1.00 1.22 ? 1 G A N3 1
|
| 1044 |
+
ATOM 20 C C4 . G A 1 1 ? -2.146 -9.400 -1.660 1.00 1.26 ? 1 G A C4 1
|
| 1045 |
+
ATOM 21 H "H5'" . G A 1 1 ? -8.343 10.227 0.602 1.00 1.83 ? 1 G A "H5'" 1
|
| 1046 |
+
ATOM 22 H "H5''" . G A 1 1 ? -8.001 11.242 -0.813 1.00 1.96 ? 1 G A "H5''" 1
|
| 1047 |
+
ATOM 23 H "H4'" . G A 1 1 ? -6.292 11.513 0.953 1.00 1.75 ? 1 G A "H4'" 1
|
| 1048 |
+
ATOM 24 H "H3'" . G A 1 1 ? -5.914 -8.503 0.581 1.00 1.44 ? 1 G A "H3'" 1
|
| 1049 |
+
ATOM 25 H "H2'" . G A 1 1 ? -3.561 -8.809 0.716 1.00 1.25 ? 1 G A "H2'" 1
|
| 1050 |
+
ATOM 26 H "HO2'" . G A 1 1 ? -3.276 -9.874 2.578 1.00 1.42 ? 1 G A "HO2'" 1
|
| 1051 |
+
ATOM 27 H "H1'" . G A 1 1 ? -3.463 11.481 -0.302 1.00 1.57 ? 1 G A "H1'" 1
|
| 1052 |
+
ATOM 28 H H8 . G A 1 1 ? -5.118 -9.517 -2.932 1.00 1.55 ? 1 G A H8 1
|
| 1053 |
+
ATOM 29 H H1 . G A 1 1 ? 1.116 -8.057 -2.469 1.00 0.99 ? 1 G A H1 1
|
| 1054 |
+
ATOM 30 H H21 . G A 1 1 ? 1.942 -8.865 -0.570 1.00 1.07 ? 1 G A H21 1
|
| 1055 |
+
ATOM 31 H H22 . G A 1 1 ? 0.956 -9.757 0.565 1.00 1.18 ? 1 G A H22 1
|
| 1056 |
+
ATOM 32 H "HO5'" . G A 1 1 ? -6.933 -9.265 -1.655 1.00 1.86 ? 1 G A "HO5'" 1
|
| 1057 |
+
ATOM 33 P P . G A 1 2 ? -5.623 -8.342 3.375 1.00 1.35 ? 2 G A P 1
|
| 1058 |
+
ATOM 34 O OP1 . G A 1 2 ? -6.296 -8.623 4.663 1.00 1.44 ? 2 G A OP1 1
|
| 1059 |
+
ATOM 35 O OP2 . G A 1 2 ? -5.915 -7.086 2.649 1.00 1.32 ? 2 G A OP2 1
|
| 1060 |
+
ATOM 36 O "O5'" . G A 1 2 ? -4.031 -8.431 3.609 1.00 1.20 ? 2 G A "O5'" 1
|
| 1061 |
+
ATOM 37 C "C5'" . G A 1 2 ? -3.500 -9.159 4.719 1.00 1.25 ? 2 G A "C5'" 1
|
| 1062 |
+
ATOM 38 C "C4'" . G A 1 2 ? -2.051 -8.776 5.006 1.00 1.16 ? 2 G A "C4'" 1
|
| 1063 |
+
ATOM 39 O "O4'" . G A 1 2 ? -1.252 -9.040 3.846 1.00 1.11 ? 2 G A "O4'" 1
|
| 1064 |
+
ATOM 40 C "C3'" . G A 1 2 ? -1.816 -7.302 5.279 1.00 1.05 ? 2 G A "C3'" 1
|
| 1065 |
+
ATOM 41 O "O3'" . G A 1 2 ? -1.921 -7.102 6.691 1.00 1.11 ? 2 G A "O3'" 1
|
| 1066 |
+
ATOM 42 C "C2'" . G A 1 2 ? -0.355 -7.125 4.909 1.00 0.99 ? 2 G A "C2'" 1
|
| 1067 |
+
ATOM 43 O "O2'" . G A 1 2 ? 0.494 -7.584 5.964 1.00 1.06 ? 2 G A "O2'" 1
|
| 1068 |
+
ATOM 44 C "C1'" . G A 1 2 ? -0.236 -8.033 3.688 1.00 1.01 ? 2 G A "C1'" 1
|
| 1069 |
+
ATOM 45 N N9 . G A 1 2 ? -0.479 -7.304 2.428 1.00 0.94 ? 2 G A N9 1
|
| 1070 |
+
ATOM 46 C C8 . G A 1 2 ? -1.676 -7.003 1.831 1.00 0.96 ? 2 G A C8 1
|
| 1071 |
+
ATOM 47 N N7 . G A 1 2 ? -1.553 -6.332 0.719 1.00 0.89 ? 2 G A N7 1
|
| 1072 |
+
ATOM 48 C C5 . G A 1 2 ? -0.180 -6.178 0.569 1.00 0.83 ? 2 G A C5 1
|
| 1073 |
+
ATOM 49 C C6 . G A 1 2 ? 0.557 -5.528 -0.459 1.00 0.77 ? 2 G A C6 1
|
| 1074 |
+
ATOM 50 O O6 . G A 1 2 ? 0.128 -4.950 -1.456 1.00 0.74 ? 2 G A O6 1
|
| 1075 |
+
ATOM 51 N N1 . G A 1 2 ? 1.922 -5.599 -0.233 1.00 0.76 ? 2 G A N1 1
|
| 1076 |
+
ATOM 52 C C2 . G A 1 2 ? 2.513 -6.217 0.846 1.00 0.80 ? 2 G A C2 1
|
| 1077 |
+
ATOM 53 N N2 . G A 1 2 ? 3.844 -6.187 0.906 1.00 0.82 ? 2 G A N2 1
|
| 1078 |
+
ATOM 54 N N3 . G A 1 2 ? 1.830 -6.831 1.818 1.00 0.85 ? 2 G A N3 1
|
| 1079 |
+
ATOM 55 C C4 . G A 1 2 ? 0.491 -6.771 1.612 1.00 0.86 ? 2 G A C4 1
|
| 1080 |
+
ATOM 56 H "H5'" . G A 1 2 ? -4.104 -8.950 5.603 1.00 1.31 ? 2 G A "H5'" 1
|
| 1081 |
+
ATOM 57 H "H5''" . G A 1 2 ? -3.549 10.226 4.500 1.00 1.33 ? 2 G A "H5''" 1
|
| 1082 |
+
ATOM 58 H "H4'" . G A 1 2 ? -1.683 -9.382 5.834 1.00 1.23 ? 2 G A "H4'" 1
|
| 1083 |
+
ATOM 59 H "H3'" . G A 1 2 ? -2.487 -6.645 4.725 1.00 1.01 ? 2 G A "H3'" 1
|
| 1084 |
+
ATOM 60 H "H2'" . G A 1 2 ? -0.139 -6.091 4.649 1.00 0.92 ? 2 G A "H2'" 1
|
| 1085 |
+
ATOM 61 H "HO2'" . G A 1 2 ? 1.052 -6.847 6.223 1.00 1.19 ? 2 G A "HO2'" 1
|
| 1086 |
+
ATOM 62 H "H1'" . G A 1 2 ? 0.744 -8.509 3.648 1.00 1.03 ? 2 G A "H1'" 1
|
| 1087 |
+
ATOM 63 H H8 . G A 1 2 ? -2.639 -7.294 2.248 1.00 1.03 ? 2 G A H8 1
|
| 1088 |
+
ATOM 64 H H1 . G A 1 2 ? 2.525 -5.162 -0.916 1.00 0.74 ? 2 G A H1 1
|
| 1089 |
+
ATOM 65 H H21 . G A 1 2 ? 4.371 -5.693 0.198 1.00 0.81 ? 2 G A H21 1
|
| 1090 |
+
ATOM 66 H H22 . G A 1 2 ? 4.327 -6.657 1.658 1.00 0.86 ? 2 G A H22 1
|
| 1091 |
+
ATOM 67 P P . U A 1 3 ? -2.084 -5.617 7.292 1.00 1.13 ? 3 U A P 1
|
| 1092 |
+
ATOM 68 O OP1 . U A 1 3 ? -2.160 -5.719 8.766 1.00 1.27 ? 3 U A OP1 1
|
| 1093 |
+
ATOM 69 O OP2 . U A 1 3 ? -3.161 -4.931 6.543 1.00 1.09 ? 3 U A OP2 1
|
| 1094 |
+
ATOM 70 O "O5'" . U A 1 3 ? -0.682 -4.923 6.905 1.00 1.04 ? 3 U A "O5'" 1
|
| 1095 |
+
ATOM 71 C "C5'" . U A 1 3 ? 0.359 -4.806 7.878 1.00 1.10 ? 3 U A "C5'" 1
|
| 1096 |
+
ATOM 72 C "C4'" . U A 1 3 ? 1.695 -4.422 7.240 1.00 1.03 ? 3 U A "C4'" 1
|
| 1097 |
+
ATOM 73 O "O4'" . U A 1 3 ? 1.783 -4.985 5.926 1.00 0.98 ? 3 U A "O4'" 1
|
| 1098 |
+
ATOM 74 C "C3'" . U A 1 3 ? 1.893 -2.940 6.993 1.00 0.93 ? 3 U A "C3'" 1
|
| 1099 |
+
ATOM 75 O "O3'" . U A 1 3 ? 2.457 -2.373 8.177 1.00 1.00 ? 3 U A "O3'" 1
|
| 1100 |
+
ATOM 76 C "C2'" . U A 1 3 ? 2.974 -2.939 5.927 1.00 0.87 ? 3 U A "C2'" 1
|
| 1101 |
+
ATOM 77 O "O2'" . U A 1 3 ? 4.256 -3.194 6.507 1.00 0.96 ? 3 U A "O2'" 1
|
| 1102 |
+
ATOM 78 C "C1'" . U A 1 3 ? 2.533 -4.114 5.056 1.00 0.88 ? 3 U A "C1'" 1
|
| 1103 |
+
ATOM 79 N N1 . U A 1 3 ? 1.652 -3.675 3.949 1.00 0.80 ? 3 U A N1 1
|
| 1104 |
+
ATOM 80 C C2 . U A 1 3 ? 2.238 -3.378 2.728 1.00 0.75 ? 3 U A C2 1
|
| 1105 |
+
ATOM 81 O O2 . U A 1 3 ? 3.447 -3.485 2.533 1.00 0.80 ? 3 U A O2 1
|
| 1106 |
+
ATOM 82 N N3 . U A 1 3 ? 1.380 -2.951 1.733 1.00 0.70 ? 3 U A N3 1
|
| 1107 |
+
ATOM 83 C C4 . U A 1 3 ? 0.011 -2.797 1.849 1.00 0.68 ? 3 U A C4 1
|
| 1108 |
+
ATOM 84 O O4 . U A 1 3 ? -0.647 -2.404 0.889 1.00 0.66 ? 3 U A O4 1
|
| 1109 |
+
ATOM 85 C C5 . U A 1 3 ? -0.524 -3.127 3.149 1.00 0.74 ? 3 U A C5 1
|
| 1110 |
+
ATOM 86 C C6 . U A 1 3 ? 0.301 -3.548 4.139 1.00 0.80 ? 3 U A C6 1
|
| 1111 |
+
ATOM 87 H "H5'" . U A 1 3 ? 0.468 -5.762 8.393 1.00 1.17 ? 3 U A "H5'" 1
|
| 1112 |
+
ATOM 88 H "H5''" . U A 1 3 ? 0.081 -4.043 8.605 1.00 1.16 ? 3 U A "H5''" 1
|
| 1113 |
+
ATOM 89 H "H4'" . U A 1 3 ? 2.509 -4.817 7.850 1.00 1.10 ? 3 U A "H4'" 1
|
| 1114 |
+
ATOM 90 H "H3'" . U A 1 3 ? 0.982 -2.425 6.688 1.00 0.88 ? 3 U A "H3'" 1
|
| 1115 |
+
ATOM 91 H "H2'" . U A 1 3 ? 2.972 -2.007 5.363 1.00 0.78 ? 3 U A "H2'" 1
|
| 1116 |
+
ATOM 92 H "HO2'" . U A 1 3 ? 4.370 -2.575 7.232 1.00 0.95 ? 3 U A "HO2'" 1
|
| 1117 |
+
ATOM 93 H "H1'" . U A 1 3 ? 3.394 -4.656 4.659 1.00 0.93 ? 3 U A "H1'" 1
|
| 1118 |
+
ATOM 94 H H3 . U A 1 3 ? 1.792 -2.731 0.837 1.00 0.70 ? 3 U A H3 1
|
| 1119 |
+
ATOM 95 H H5 . U A 1 3 ? -1.594 -3.037 3.335 1.00 0.78 ? 3 U A H5 1
|
| 1120 |
+
ATOM 96 H H6 . U A 1 3 ? -0.122 -3.794 5.113 1.00 0.88 ? 3 U A H6 1
|
| 1121 |
+
ATOM 97 P P . G A 1 4 ? 1.983 -0.920 8.684 1.00 1.00 ? 4 G A P 1
|
| 1122 |
+
ATOM 98 O OP1 . G A 1 4 ? 2.643 -0.645 9.980 1.00 1.15 ? 4 G A OP1 1
|
| 1123 |
+
ATOM 99 O OP2 . G A 1 4 ? 0.509 -0.850 8.577 1.00 1.01 ? 4 G A OP2 1
|
| 1124 |
+
ATOM 100 O "O5'" . G A 1 4 ? 2.618 0.063 7.577 1.00 0.87 ? 4 G A "O5'" 1
|
| 1125 |
+
ATOM 101 C "C5'" . G A 1 4 ? 3.989 0.457 7.663 1.00 0.93 ? 4 G A "C5'" 1
|
| 1126 |
+
ATOM 102 C "C4'" . G A 1 4 ? 4.437 1.232 6.428 1.00 0.82 ? 4 G A "C4'" 1
|
| 1127 |
+
ATOM 103 O "O4'" . G A 1 4 ? 4.198 0.452 5.256 1.00 0.71 ? 4 G A "O4'" 1
|
| 1128 |
+
ATOM 104 C "C3'" . G A 1 4 ? 3.675 2.513 6.155 1.00 0.72 ? 4 G A "C3'" 1
|
| 1129 |
+
ATOM 105 O "O3'" . G A 1 4 ? 4.334 3.564 6.866 1.00 0.86 ? 4 G A "O3'" 1
|
| 1130 |
+
ATOM 106 C "C2'" . G A 1 4 ? 3.934 2.742 4.674 1.00 0.59 ? 4 G A "C2'" 1
|
| 1131 |
+
ATOM 107 O "O2'" . G A 1 4 ? 5.195 3.387 4.481 1.00 0.69 ? 4 G A "O2'" 1
|
| 1132 |
+
ATOM 108 C "C1'" . G A 1 4 ? 3.972 1.312 4.124 1.00 0.60 ? 4 G A "C1'" 1
|
| 1133 |
+
ATOM 109 N N9 . G A 1 4 ? 2.704 0.930 3.474 1.00 0.53 ? 4 G A N9 1
|
| 1134 |
+
ATOM 110 C C8 . G A 1 4 ? 1.643 0.238 4.000 1.00 0.56 ? 4 G A C8 1
|
| 1135 |
+
ATOM 111 N N7 . G A 1 4 ? 0.662 0.063 3.158 1.00 0.53 ? 4 G A N7 1
|
| 1136 |
+
ATOM 112 C C5 . G A 1 4 ? 1.103 0.684 1.994 1.00 0.47 ? 4 G A C5 1
|
| 1137 |
+
ATOM 113 C C6 . G A 1 4 ? 0.460 0.819 0.732 1.00 0.47 ? 4 G A C6 1
|
| 1138 |
+
ATOM 114 O O6 . G A 1 4 ? -0.646 0.405 0.390 1.00 0.52 ? 4 G A O6 1
|
| 1139 |
+
ATOM 115 N N1 . G A 1 4 ? 1.248 1.515 -0.171 1.00 0.49 ? 4 G A N1 1
|
| 1140 |
+
ATOM 116 C C2 . G A 1 4 ? 2.500 2.020 0.099 1.00 0.49 ? 4 G A C2 1
|
| 1141 |
+
ATOM 117 N N2 . G A 1 4 ? 3.117 2.668 -0.891 1.00 0.57 ? 4 G A N2 1
|
| 1142 |
+
ATOM 118 N N3 . G A 1 4 ? 3.113 1.898 1.279 1.00 0.48 ? 4 G A N3 1
|
| 1143 |
+
ATOM 119 C C4 . G A 1 4 ? 2.355 1.219 2.176 1.00 0.47 ? 4 G A C4 1
|
| 1144 |
+
ATOM 120 H "H5'" . G A 1 4 ? 4.608 -0.434 7.766 1.00 1.00 ? 4 G A "H5'" 1
|
| 1145 |
+
ATOM 121 H "H5''" . G A 1 4 ? 4.123 1.085 8.544 1.00 1.05 ? 4 G A "H5''" 1
|
| 1146 |
+
ATOM 122 H "H4'" . G A 1 4 ? 5.506 1.433 6.506 1.00 0.91 ? 4 G A "H4'" 1
|
| 1147 |
+
ATOM 123 H "H3'" . G A 1 4 ? 2.616 2.450 6.406 1.00 0.71 ? 4 G A "H3'" 1
|
| 1148 |
+
ATOM 124 H "H2'" . G A 1 4 ? 3.125 3.314 4.219 1.00 0.47 ? 4 G A "H2'" 1
|
| 1149 |
+
ATOM 125 H "HO2'" . G A 1 4 ? 5.646 3.392 5.329 1.00 0.94 ? 4 G A "HO2'" 1
|
| 1150 |
+
ATOM 126 H "H1'" . G A 1 4 ? 4.790 1.192 3.414 1.00 0.64 ? 4 G A "H1'" 1
|
| 1151 |
+
ATOM 127 H H8 . G A 1 4 ? 1.620 -0.128 5.026 1.00 0.65 ? 4 G A H8 1
|
| 1152 |
+
ATOM 128 H H1 . G A 1 4 ? 0.870 1.658 -1.095 1.00 0.55 ? 4 G A H1 1
|
| 1153 |
+
ATOM 129 H H21 . G A 1 4 ? 2.634 2.839 -1.762 1.00 0.62 ? 4 G A H21 1
|
| 1154 |
+
ATOM 130 H H22 . G A 1 4 ? 4.066 2.990 -0.768 1.00 0.61 ? 4 G A H22 1
|
| 1155 |
+
ATOM 131 P P . C A 1 5 ? 3.487 4.787 7.482 1.00 0.88 ? 5 C A P 1
|
| 1156 |
+
ATOM 132 O OP1 . C A 1 5 ? 4.387 5.586 8.344 1.00 1.08 ? 5 C A OP1 1
|
| 1157 |
+
ATOM 133 O OP2 . C A 1 5 ? 2.226 4.245 8.034 1.00 1.03 ? 5 C A OP2 1
|
| 1158 |
+
ATOM 134 O "O5'" . C A 1 5 ? 3.128 5.664 6.179 1.00 0.60 ? 5 C A "O5'" 1
|
| 1159 |
+
ATOM 135 C "C5'" . C A 1 5 ? 4.153 6.083 5.273 1.00 0.44 ? 5 C A "C5'" 1
|
| 1160 |
+
ATOM 136 C "C4'" . C A 1 5 ? 3.636 6.145 3.838 1.00 0.16 ? 5 C A "C4'" 1
|
| 1161 |
+
ATOM 137 O "O4'" . C A 1 5 ? 2.887 4.970 3.571 1.00 0.22 ? 5 C A "O4'" 1
|
| 1162 |
+
ATOM 138 C "C3'" . C A 1 5 ? 2.673 7.295 3.552 1.00 0.25 ? 5 C A "C3'" 1
|
| 1163 |
+
ATOM 139 O "O3'" . C A 1 5 ? 3.376 8.207 2.704 1.00 0.56 ? 5 C A "O3'" 1
|
| 1164 |
+
ATOM 140 C "C2'" . C A 1 5 ? 1.538 6.696 2.709 1.00 0.22 ? 5 C A "C2'" 1
|
| 1165 |
+
ATOM 141 O "O2'" . C A 1 5 ? 1.490 7.334 1.434 1.00 0.47 ? 5 C A "O2'" 1
|
| 1166 |
+
ATOM 142 C "C1'" . C A 1 5 ? 1.929 5.226 2.550 1.00 0.19 ? 5 C A "C1'" 1
|
| 1167 |
+
ATOM 143 N N1 . C A 1 5 ? 0.788 4.302 2.756 1.00 0.19 ? 5 C A N1 1
|
| 1168 |
+
ATOM 144 C C2 . C A 1 5 ? 0.068 3.890 1.642 1.00 0.32 ? 5 C A C2 1
|
| 1169 |
+
ATOM 145 O O2 . C A 1 5 ? 0.369 4.305 0.525 1.00 0.48 ? 5 C A O2 1
|
| 1170 |
+
ATOM 146 N N3 . C A 1 5 ? -0.967 3.024 1.817 1.00 0.37 ? 5 C A N3 1
|
| 1171 |
+
ATOM 147 C C4 . C A 1 5 ? -1.288 2.578 3.037 1.00 0.33 ? 5 C A C4 1
|
| 1172 |
+
ATOM 148 N N4 . C A 1 5 ? -2.314 1.731 3.140 1.00 0.42 ? 5 C A N4 1
|
| 1173 |
+
ATOM 149 C C5 . C A 1 5 ? -0.555 2.998 4.190 1.00 0.34 ? 5 C A C5 1
|
| 1174 |
+
ATOM 150 C C6 . C A 1 5 ? 0.468 3.854 4.006 1.00 0.27 ? 5 C A C6 1
|
| 1175 |
+
ATOM 151 H "H5'" . C A 1 5 ? 4.983 5.379 5.323 1.00 0.56 ? 5 C A "H5'" 1
|
| 1176 |
+
ATOM 152 H "H5''" . C A 1 5 ? 4.505 7.072 5.567 1.00 0.55 ? 5 C A "H5''" 1
|
| 1177 |
+
ATOM 153 H "H4'" . C A 1 5 ? 4.488 6.183 3.159 1.00 0.35 ? 5 C A "H4'" 1
|
| 1178 |
+
ATOM 154 H "H3'" . C A 1 5 ? 2.315 7.791 4.456 1.00 0.51 ? 5 C A "H3'" 1
|
| 1179 |
+
ATOM 155 H "H2'" . C A 1 5 ? 0.584 6.788 3.223 1.00 0.40 ? 5 C A "H2'" 1
|
| 1180 |
+
ATOM 156 H "HO2'" . C A 1 5 ? 0.615 7.719 1.340 1.00 0.88 ? 5 C A "HO2'" 1
|
| 1181 |
+
ATOM 157 H "H1'" . C A 1 5 ? 2.381 5.047 1.573 1.00 0.27 ? 5 C A "H1'" 1
|
| 1182 |
+
ATOM 158 H H41 . C A 1 5 ? -2.771 1.389 2.306 1.00 0.48 ? 5 C A H41 1
|
| 1183 |
+
ATOM 159 H H42 . C A 1 5 ? -2.633 1.433 4.050 1.00 0.48 ? 5 C A H42 1
|
| 1184 |
+
ATOM 160 H H5 . C A 1 5 ? -0.809 2.643 5.189 1.00 0.47 ? 5 C A H5 1
|
| 1185 |
+
ATOM 161 H H6 . C A 1 5 ? 1.048 4.193 4.864 1.00 0.37 ? 5 C A H6 1
|
| 1186 |
+
ATOM 162 P P . U A 1 6 ? 2.814 9.694 2.451 1.00 0.82 ? 6 U A P 1
|
| 1187 |
+
ATOM 163 O OP1 . U A 1 6 ? 3.884 10.658 2.793 1.00 1.33 ? 6 U A OP1 1
|
| 1188 |
+
ATOM 164 O OP2 . U A 1 6 ? 1.487 9.804 3.097 1.00 1.13 ? 6 U A OP2 1
|
| 1189 |
+
ATOM 165 O "O5'" . U A 1 6 ? 2.601 9.719 0.854 1.00 0.72 ? 6 U A "O5'" 1
|
| 1190 |
+
ATOM 166 C "C5'" . U A 1 6 ? 1.306 9.975 0.302 1.00 0.61 ? 6 U A "C5'" 1
|
| 1191 |
+
ATOM 167 C "C4'" . U A 1 6 ? 1.129 9.296 -1.072 1.00 0.50 ? 6 U A "C4'" 1
|
| 1192 |
+
ATOM 168 O "O4'" . U A 1 6 ? 2.399 8.785 -1.506 1.00 0.44 ? 6 U A "O4'" 1
|
| 1193 |
+
ATOM 169 C "C3'" . U A 1 6 ? 0.180 8.093 -1.106 1.00 0.69 ? 6 U A "C3'" 1
|
| 1194 |
+
ATOM 170 O "O3'" . U A 1 6 ? -0.455 8.115 -2.382 1.00 1.01 ? 6 U A "O3'" 1
|
| 1195 |
+
ATOM 171 C "C2'" . U A 1 6 ? 1.101 6.885 -1.098 1.00 0.73 ? 6 U A "C2'" 1
|
| 1196 |
+
ATOM 172 O "O2'" . U A 1 6 ? 0.494 5.785 -1.779 1.00 1.15 ? 6 U A "O2'" 1
|
| 1197 |
+
ATOM 173 C "C1'" . U A 1 6 ? 2.291 7.409 -1.882 1.00 0.64 ? 6 U A "C1'" 1
|
| 1198 |
+
ATOM 174 N N1 . U A 1 6 ? 3.555 6.713 -1.528 1.00 0.90 ? 6 U A N1 1
|
| 1199 |
+
ATOM 175 C C2 . U A 1 6 ? 4.193 5.970 -2.513 1.00 1.30 ? 6 U A C2 1
|
| 1200 |
+
ATOM 176 O O2 . U A 1 6 ? 3.744 5.864 -3.652 1.00 1.37 ? 6 U A O2 1
|
| 1201 |
+
ATOM 177 N N3 . U A 1 6 ? 5.368 5.348 -2.140 1.00 1.67 ? 6 U A N3 1
|
| 1202 |
+
ATOM 178 C C4 . U A 1 6 ? 5.955 5.399 -0.891 1.00 1.73 ? 6 U A C4 1
|
| 1203 |
+
ATOM 179 O O4 . U A 1 6 ? 7.008 4.801 -0.682 1.00 2.14 ? 6 U A O4 1
|
| 1204 |
+
ATOM 180 C C5 . U A 1 6 ? 5.234 6.189 0.083 1.00 1.31 ? 6 U A C5 1
|
| 1205 |
+
ATOM 181 C C6 . U A 1 6 ? 4.076 6.808 -0.262 1.00 0.89 ? 6 U A C6 1
|
| 1206 |
+
ATOM 182 H "H5'" . U A 1 6 ? 1.182 11.055 0.192 1.00 1.13 ? 6 U A "H5'" 1
|
| 1207 |
+
ATOM 183 H "H5''" . U A 1 6 ? 0.551 9.606 0.996 1.00 1.10 ? 6 U A "H5''" 1
|
| 1208 |
+
ATOM 184 H "H4'" . U A 1 6 ? 0.795 10.041 -1.799 1.00 0.73 ? 6 U A "H4'" 1
|
| 1209 |
+
ATOM 185 H "H3'" . U A 1 6 ? -0.549 8.083 -0.297 1.00 0.79 ? 6 U A "H3'" 1
|
| 1210 |
+
ATOM 186 H "H2'" . U A 1 6 ? 1.386 6.615 -0.082 1.00 0.69 ? 6 U A "H2'" 1
|
| 1211 |
+
ATOM 187 H "HO2'" . U A 1 6 ? -0.096 6.150 -2.443 1.00 1.52 ? 6 U A "HO2'" 1
|
| 1212 |
+
ATOM 188 H "H1'" . U A 1 6 ? 2.105 7.346 -2.957 1.00 0.86 ? 6 U A "H1'" 1
|
| 1213 |
+
ATOM 189 H H3 . U A 1 6 ? 5.841 4.803 -2.846 1.00 1.97 ? 6 U A H3 1
|
| 1214 |
+
ATOM 190 H H5 . U A 1 6 ? 5.623 6.288 1.096 1.00 1.37 ? 6 U A H5 1
|
| 1215 |
+
ATOM 191 H H6 . U A 1 6 ? 3.538 7.389 0.492 1.00 0.60 ? 6 U A H6 1
|
| 1216 |
+
ATOM 192 P P . U A 1 7 ? -1.769 9.009 -2.626 1.00 1.66 ? 7 U A P 1
|
| 1217 |
+
ATOM 193 O OP1 . U A 1 7 ? -1.638 9.680 -3.939 1.00 2.18 ? 7 U A OP1 1
|
| 1218 |
+
ATOM 194 O OP2 . U A 1 7 ? -2.020 9.810 -1.407 1.00 2.35 ? 7 U A OP2 1
|
| 1219 |
+
ATOM 195 O "O5'" . U A 1 7 ? -2.925 7.891 -2.746 1.00 1.57 ? 7 U A "O5'" 1
|
| 1220 |
+
ATOM 196 C "C5'" . U A 1 7 ? -4.067 7.900 -1.885 1.00 0.57 ? 7 U A "C5'" 1
|
| 1221 |
+
ATOM 197 C "C4'" . U A 1 7 ? -5.341 8.244 -2.673 1.00 0.41 ? 7 U A "C4'" 1
|
| 1222 |
+
ATOM 198 O "O4'" . U A 1 7 ? -4.955 8.868 -3.907 1.00 0.37 ? 7 U A "O4'" 1
|
| 1223 |
+
ATOM 199 C "C3'" . U A 1 7 ? -6.195 7.053 -3.098 1.00 0.47 ? 7 U A "C3'" 1
|
| 1224 |
+
ATOM 200 O "O3'" . U A 1 7 ? -7.524 7.534 -3.323 1.00 0.56 ? 7 U A "O3'" 1
|
| 1225 |
+
ATOM 201 C "C2'" . U A 1 7 ? -5.638 6.669 -4.456 1.00 0.55 ? 7 U A "C2'" 1
|
| 1226 |
+
ATOM 202 O "O2'" . U A 1 7 ? -6.650 6.049 -5.254 1.00 0.72 ? 7 U A "O2'" 1
|
| 1227 |
+
ATOM 203 C "C1'" . U A 1 7 ? -5.262 8.031 -5.037 1.00 0.45 ? 7 U A "C1'" 1
|
| 1228 |
+
ATOM 204 N N1 . U A 1 7 ? -4.050 7.951 -5.901 1.00 0.54 ? 7 U A N1 1
|
| 1229 |
+
ATOM 205 C C2 . U A 1 7 ? -4.158 8.316 -7.236 1.00 0.66 ? 7 U A C2 1
|
| 1230 |
+
ATOM 206 O O2 . U A 1 7 ? -5.217 8.692 -7.734 1.00 0.70 ? 7 U A O2 1
|
| 1231 |
+
ATOM 207 N N3 . U A 1 7 ? -2.997 8.229 -7.983 1.00 0.81 ? 7 U A N3 1
|
| 1232 |
+
ATOM 208 C C4 . U A 1 7 ? -1.760 7.818 -7.522 1.00 0.85 ? 7 U A C4 1
|
| 1233 |
+
ATOM 209 O O4 . U A 1 7 ? -0.797 7.785 -8.286 1.00 1.01 ? 7 U A O4 1
|
| 1234 |
+
ATOM 210 C C5 . U A 1 7 ? -1.730 7.456 -6.124 1.00 0.74 ? 7 U A C5 1
|
| 1235 |
+
ATOM 211 C C6 . U A 1 7 ? -2.855 7.533 -5.378 1.00 0.61 ? 7 U A C6 1
|
| 1236 |
+
ATOM 212 H "H5'" . U A 1 7 ? -3.916 8.641 -1.095 1.00 0.79 ? 7 U A "H5'" 1
|
| 1237 |
+
ATOM 213 H "H5''" . U A 1 7 ? -4.175 6.916 -1.429 1.00 0.78 ? 7 U A "H5''" 1
|
| 1238 |
+
ATOM 214 H "H4'" . U A 1 7 ? -5.938 8.946 -2.090 1.00 0.50 ? 7 U A "H4'" 1
|
| 1239 |
+
ATOM 215 H "H3'" . U A 1 7 ? -6.181 6.234 -2.380 1.00 0.57 ? 7 U A "H3'" 1
|
| 1240 |
+
ATOM 216 H "H2'" . U A 1 7 ? -4.767 6.024 -4.355 1.00 0.65 ? 7 U A "H2'" 1
|
| 1241 |
+
ATOM 217 H "HO2'" . U A 1 7 ? -7.031 6.730 -5.813 1.00 1.03 ? 7 U A "HO2'" 1
|
| 1242 |
+
ATOM 218 H "H1'" . U A 1 7 ? -6.100 8.465 -5.590 1.00 0.55 ? 7 U A "H1'" 1
|
| 1243 |
+
ATOM 219 H H3 . U A 1 7 ? -3.059 8.488 -8.957 1.00 0.94 ? 7 U A H3 1
|
| 1244 |
+
ATOM 220 H H5 . U A 1 7 ? -0.798 7.122 -5.664 1.00 0.82 ? 7 U A H5 1
|
| 1245 |
+
ATOM 221 H H6 . U A 1 7 ? -2.809 7.248 -4.328 1.00 0.62 ? 7 U A H6 1
|
| 1246 |
+
ATOM 222 P P . A A 1 8 ? -8.660 7.369 -2.194 1.00 0.52 ? 8 A A P 1
|
| 1247 |
+
ATOM 223 O OP1 . A A 1 8 ? -9.592 8.513 -2.310 1.00 0.63 ? 8 A A OP1 1
|
| 1248 |
+
ATOM 224 O OP2 . A A 1 8 ? -7.991 7.094 -0.903 1.00 0.59 ? 8 A A OP2 1
|
| 1249 |
+
ATOM 225 O "O5'" . A A 1 8 ? -9.445 6.034 -2.652 1.00 0.62 ? 8 A A "O5'" 1
|
| 1250 |
+
ATOM 226 C "C5'" . A A 1 8 ? -8.867 5.120 -3.589 1.00 0.64 ? 8 A A "C5'" 1
|
| 1251 |
+
ATOM 227 C "C4'" . A A 1 8 ? -7.811 4.233 -2.929 1.00 0.49 ? 8 A A "C4'" 1
|
| 1252 |
+
ATOM 228 O "O4'" . A A 1 8 ? -7.232 4.939 -1.850 1.00 0.50 ? 8 A A "O4'" 1
|
| 1253 |
+
ATOM 229 C "C3'" . A A 1 8 ? -8.340 2.962 -2.277 1.00 0.44 ? 8 A A "C3'" 1
|
| 1254 |
+
ATOM 230 O "O3'" . A A 1 8 ? -8.084 1.892 -3.194 1.00 0.68 ? 8 A A "O3'" 1
|
| 1255 |
+
ATOM 231 C "C2'" . A A 1 8 ? -7.428 2.731 -1.057 1.00 0.48 ? 8 A A "C2'" 1
|
| 1256 |
+
ATOM 232 O "O2'" . A A 1 8 ? -6.581 1.602 -1.283 1.00 0.71 ? 8 A A "O2'" 1
|
| 1257 |
+
ATOM 233 C "C1'" . A A 1 8 ? -6.586 4.017 -0.986 1.00 0.45 ? 8 A A "C1'" 1
|
| 1258 |
+
ATOM 234 N N9 . A A 1 8 ? -6.511 4.626 0.361 1.00 0.39 ? 8 A A N9 1
|
| 1259 |
+
ATOM 235 C C8 . A A 1 8 ? -7.470 4.704 1.348 1.00 0.45 ? 8 A A C8 1
|
| 1260 |
+
ATOM 236 N N7 . A A 1 8 ? -7.074 5.349 2.409 1.00 0.47 ? 8 A A N7 1
|
| 1261 |
+
ATOM 237 C C5 . A A 1 8 ? -5.772 5.727 2.105 1.00 0.40 ? 8 A A C5 1
|
| 1262 |
+
ATOM 238 C C6 . A A 1 8 ? -4.802 6.446 2.820 1.00 0.45 ? 8 A A C6 1
|
| 1263 |
+
ATOM 239 N N6 . A A 1 8 ? -5.004 6.940 4.041 1.00 0.55 ? 8 A A N6 1
|
| 1264 |
+
ATOM 240 N N1 . A A 1 8 ? -3.612 6.647 2.230 1.00 0.48 ? 8 A A N1 1
|
| 1265 |
+
ATOM 241 C C2 . A A 1 8 ? -3.406 6.166 1.010 1.00 0.47 ? 8 A A C2 1
|
| 1266 |
+
ATOM 242 N N3 . A A 1 8 ? -4.233 5.477 0.238 1.00 0.43 ? 8 A A N3 1
|
| 1267 |
+
ATOM 243 C C4 . A A 1 8 ? -5.418 5.293 0.862 1.00 0.37 ? 8 A A C4 1
|
| 1268 |
+
ATOM 244 H "H5'" . A A 1 8 ? -8.406 5.689 -4.399 1.00 1.15 ? 8 A A "H5'" 1
|
| 1269 |
+
ATOM 245 H "H5''" . A A 1 8 ? -9.654 4.489 -4.001 1.00 1.30 ? 8 A A "H5''" 1
|
| 1270 |
+
ATOM 246 H "H4'" . A A 1 8 ? -7.033 3.994 -3.657 1.00 0.67 ? 8 A A "H4'" 1
|
| 1271 |
+
ATOM 247 H "H3'" . A A 1 8 ? -9.396 3.022 -2.017 1.00 0.53 ? 8 A A "H3'" 1
|
| 1272 |
+
ATOM 248 H "H2'" . A A 1 8 ? -8.018 2.592 -0.157 1.00 0.53 ? 8 A A "H2'" 1
|
| 1273 |
+
ATOM 249 H "HO2'" . A A 1 8 ? -6.436 1.539 -2.229 1.00 0.72 ? 8 A A "HO2'" 1
|
| 1274 |
+
ATOM 250 H "H1'" . A A 1 8 ? -5.576 3.835 -1.351 1.00 0.64 ? 8 A A "H1'" 1
|
| 1275 |
+
ATOM 251 H H8 . A A 1 8 ? -8.473 4.293 1.247 1.00 0.53 ? 8 A A H8 1
|
| 1276 |
+
ATOM 252 H H61 . A A 1 8 ? -4.267 7.450 4.507 1.00 0.61 ? 8 A A H61 1
|
| 1277 |
+
ATOM 253 H H62 . A A 1 8 ? -5.894 6.806 4.498 1.00 0.60 ? 8 A A H62 1
|
| 1278 |
+
ATOM 254 H H2 . A A 1 8 ? -2.424 6.374 0.582 1.00 0.57 ? 8 A A H2 1
|
| 1279 |
+
ATOM 255 P P . G A 1 9 ? -8.924 1.764 -4.564 1.00 0.69 ? 9 G A P 1
|
| 1280 |
+
ATOM 256 O OP1 . G A 1 9 ? -10.220 2.462 -4.381 1.00 0.81 ? 9 G A OP1 1
|
| 1281 |
+
ATOM 257 O OP2 . G A 1 9 ? -8.905 0.346 -4.987 1.00 0.88 ? 9 G A OP2 1
|
| 1282 |
+
ATOM 258 O "O5'" . G A 1 9 ? -8.036 2.614 -5.609 1.00 0.65 ? 9 G A "O5'" 1
|
| 1283 |
+
ATOM 259 C "C5'" . G A 1 9 ? -7.265 1.965 -6.630 1.00 0.50 ? 9 G A "C5'" 1
|
| 1284 |
+
ATOM 260 C "C4'" . G A 1 9 ? -5.858 2.548 -6.712 1.00 0.45 ? 9 G A "C4'" 1
|
| 1285 |
+
ATOM 261 O "O4'" . G A 1 9 ? -5.380 2.763 -5.381 1.00 0.40 ? 9 G A "O4'" 1
|
| 1286 |
+
ATOM 262 C "C3'" . G A 1 9 ? -4.821 1.649 -7.382 1.00 0.46 ? 9 G A "C3'" 1
|
| 1287 |
+
ATOM 263 O "O3'" . G A 1 9 ? -3.873 2.510 -8.018 1.00 0.50 ? 9 G A "O3'" 1
|
| 1288 |
+
ATOM 264 C "C2'" . G A 1 9 ? -4.098 0.976 -6.226 1.00 0.41 ? 9 G A "C2'" 1
|
| 1289 |
+
ATOM 265 O "O2'" . G A 1 9 ? -2.740 0.705 -6.579 1.00 0.45 ? 9 G A "O2'" 1
|
| 1290 |
+
ATOM 266 C "C1'" . G A 1 9 ? -4.165 2.052 -5.144 1.00 0.38 ? 9 G A "C1'" 1
|
| 1291 |
+
ATOM 267 N N9 . G A 1 9 ? -4.209 1.505 -3.768 1.00 0.36 ? 9 G A N9 1
|
| 1292 |
+
ATOM 268 C C8 . G A 1 9 ? -4.885 0.407 -3.282 1.00 0.48 ? 9 G A C8 1
|
| 1293 |
+
ATOM 269 N N7 . G A 1 9 ? -4.725 0.219 -2.003 1.00 0.46 ? 9 G A N7 1
|
| 1294 |
+
ATOM 270 C C5 . G A 1 9 ? -3.892 1.259 -1.611 1.00 0.34 ? 9 G A C5 1
|
| 1295 |
+
ATOM 271 C C6 . G A 1 9 ? -3.373 1.575 -0.326 1.00 0.35 ? 9 G A C6 1
|
| 1296 |
+
ATOM 272 O O6 . G A 1 9 ? -3.554 0.983 0.735 1.00 0.37 ? 9 G A O6 1
|
| 1297 |
+
ATOM 273 N N1 . G A 1 9 ? -2.574 2.706 -0.363 1.00 0.46 ? 9 G A N1 1
|
| 1298 |
+
ATOM 274 C C2 . G A 1 9 ? -2.304 3.446 -1.492 1.00 0.53 ? 9 G A C2 1
|
| 1299 |
+
ATOM 275 N N2 . G A 1 9 ? -1.520 4.514 -1.346 1.00 0.74 ? 9 G A N2 1
|
| 1300 |
+
ATOM 276 N N3 . G A 1 9 ? -2.785 3.157 -2.702 1.00 0.44 ? 9 G A N3 1
|
| 1301 |
+
ATOM 277 C C4 . G A 1 9 ? -3.569 2.053 -2.684 1.00 0.33 ? 9 G A C4 1
|
| 1302 |
+
ATOM 278 H "H5'" . G A 1 9 ? -7.762 2.098 -7.591 1.00 0.90 ? 9 G A "H5'" 1
|
| 1303 |
+
ATOM 279 H "H5''" . G A 1 9 ? -7.196 0.899 -6.410 1.00 0.92 ? 9 G A "H5''" 1
|
| 1304 |
+
ATOM 280 H "H4'" . G A 1 9 ? -5.904 3.509 -7.223 1.00 0.50 ? 9 G A "H4'" 1
|
| 1305 |
+
ATOM 281 H "H3'" . G A 1 9 ? -5.257 0.941 -8.086 1.00 0.50 ? 9 G A "H3'" 1
|
| 1306 |
+
ATOM 282 H "H2'" . G A 1 9 ? -4.612 0.070 -5.924 1.00 0.42 ? 9 G A "H2'" 1
|
| 1307 |
+
ATOM 283 H "HO2'" . G A 1 9 ? -2.753 0.197 -7.393 1.00 0.59 ? 9 G A "HO2'" 1
|
| 1308 |
+
ATOM 284 H "H1'" . G A 1 9 ? -3.324 2.745 -5.230 1.00 0.38 ? 9 G A "H1'" 1
|
| 1309 |
+
ATOM 285 H H8 . G A 1 9 ? -5.515 -0.234 -3.897 1.00 0.62 ? 9 G A H8 1
|
| 1310 |
+
ATOM 286 H H1 . G A 1 9 ? -2.162 3.005 0.508 1.00 0.56 ? 9 G A H1 1
|
| 1311 |
+
ATOM 287 H H21 . G A 1 9 ? -1.211 4.793 -0.427 1.00 0.82 ? 9 G A H21 1
|
| 1312 |
+
ATOM 288 H H22 . G A 1 9 ? -1.238 5.048 -2.156 1.00 0.83 ? 9 G A H22 1
|
| 1313 |
+
ATOM 289 P P . C A 1 10 ? -2.855 1.934 -9.124 1.00 0.58 ? 10 C A P 1
|
| 1314 |
+
ATOM 290 O OP1 . C A 1 10 ? -2.766 0.466 -8.956 1.00 0.58 ? 10 C A OP1 1
|
| 1315 |
+
ATOM 291 O OP2 . C A 1 10 ? -3.228 2.505 10.437 1.00 0.66 ? 10 C A OP2 1
|
| 1316 |
+
ATOM 292 O "O5'" . C A 1 10 ? -1.449 2.579 -8.675 1.00 0.59 ? 10 C A "O5'" 1
|
| 1317 |
+
ATOM 293 C "C5'" . C A 1 10 ? -1.255 3.994 -8.723 1.00 0.65 ? 10 C A "C5'" 1
|
| 1318 |
+
ATOM 294 C "C4'" . C A 1 10 ? -0.099 4.436 -7.829 1.00 0.67 ? 10 C A "C4'" 1
|
| 1319 |
+
ATOM 295 O "O4'" . C A 1 10 ? -0.558 4.536 -6.478 1.00 0.57 ? 10 C A "O4'" 1
|
| 1320 |
+
ATOM 296 C "C3'" . C A 1 10 ? 1.057 3.459 -7.742 1.00 0.72 ? 10 C A "C3'" 1
|
| 1321 |
+
ATOM 297 O "O3'" . C A 1 10 ? 1.984 3.801 -8.775 1.00 0.87 ? 10 C A "O3'" 1
|
| 1322 |
+
ATOM 298 C "C2'" . C A 1 10 ? 1.705 3.825 -6.417 1.00 0.72 ? 10 C A "C2'" 1
|
| 1323 |
+
ATOM 299 O "O2'" . C A 1 10 ? 2.565 4.958 -6.573 1.00 0.86 ? 10 C A "O2'" 1
|
| 1324 |
+
ATOM 300 C "C1'" . C A 1 10 ? 0.492 4.187 -5.558 1.00 0.59 ? 10 C A "C1'" 1
|
| 1325 |
+
ATOM 301 N N1 . C A 1 10 ? 0.036 3.043 -4.733 1.00 0.50 ? 10 C A N1 1
|
| 1326 |
+
ATOM 302 C C2 . C A 1 10 ? 0.456 2.978 -3.409 1.00 0.52 ? 10 C A C2 1
|
| 1327 |
+
ATOM 303 O O2 . C A 1 10 ? 1.187 3.853 -2.949 1.00 0.60 ? 10 C A O2 1
|
| 1328 |
+
ATOM 304 N N3 . C A 1 10 ? 0.050 1.929 -2.645 1.00 0.49 ? 10 C A N3 1
|
| 1329 |
+
ATOM 305 C C4 . C A 1 10 ? -0.734 0.974 -3.157 1.00 0.45 ? 10 C A C4 1
|
| 1330 |
+
ATOM 306 N N4 . C A 1 10 ? -1.114 -0.017 -2.353 1.00 0.49 ? 10 C A N4 1
|
| 1331 |
+
ATOM 307 C C5 . C A 1 10 ? -1.165 1.028 -4.517 1.00 0.44 ? 10 C A C5 1
|
| 1332 |
+
ATOM 308 C C6 . C A 1 10 ? -0.765 2.074 -5.265 1.00 0.46 ? 10 C A C6 1
|
| 1333 |
+
ATOM 309 H "H5'" . C A 1 10 ? -2.168 4.489 -8.393 1.00 0.62 ? 10 C A "H5'" 1
|
| 1334 |
+
ATOM 310 H "H5''" . C A 1 10 ? -1.043 4.289 -9.751 1.00 0.74 ? 10 C A "H5''" 1
|
| 1335 |
+
ATOM 311 H "H4'" . C A 1 10 ? 0.250 5.415 -8.158 1.00 0.75 ? 10 C A "H4'" 1
|
| 1336 |
+
ATOM 312 H "H3'" . C A 1 10 ? 0.748 2.416 -7.801 1.00 0.68 ? 10 C A "H3'" 1
|
| 1337 |
+
ATOM 313 H "H2'" . C A 1 10 ? 2.243 2.976 -5.997 1.00 0.73 ? 10 C A "H2'" 1
|
| 1338 |
+
ATOM 314 H "HO2'" . C A 1 10 ? 2.305 5.404 -7.382 1.00 1.23 ? 10 C A "HO2'" 1
|
| 1339 |
+
ATOM 315 H "H1'" . C A 1 10 ? 0.709 5.046 -4.920 1.00 0.62 ? 10 C A "H1'" 1
|
| 1340 |
+
ATOM 316 H H41 . C A 1 10 ? -0.862 0.002 -1.373 1.00 0.52 ? 10 C A H41 1
|
| 1341 |
+
ATOM 317 H H42 . C A 1 10 ? -1.654 -0.787 -2.721 1.00 0.51 ? 10 C A H42 1
|
| 1342 |
+
ATOM 318 H H5 . C A 1 10 ? -1.774 0.238 -4.953 1.00 0.46 ? 10 C A H5 1
|
| 1343 |
+
ATOM 319 H H6 . C A 1 10 ? -1.102 2.157 -6.300 1.00 0.49 ? 10 C A H6 1
|
| 1344 |
+
ATOM 320 P P . A A 1 11 ? 3.135 2.762 -9.212 1.00 1.01 ? 11 A A P 1
|
| 1345 |
+
ATOM 321 O OP1 . A A 1 11 ? 4.220 3.524 -9.870 1.00 1.21 ? 11 A A OP1 1
|
| 1346 |
+
ATOM 322 O OP2 . A A 1 11 ? 2.494 1.631 -9.919 1.00 1.00 ? 11 A A OP2 1
|
| 1347 |
+
ATOM 323 O "O5'" . A A 1 11 ? 3.682 2.227 -7.794 1.00 0.98 ? 11 A A "O5'" 1
|
| 1348 |
+
ATOM 324 C "C5'" . A A 1 11 ? 4.745 2.912 -7.126 1.00 1.06 ? 11 A A "C5'" 1
|
| 1349 |
+
ATOM 325 C "C4'" . A A 1 11 ? 5.420 2.030 -6.079 1.00 1.00 ? 11 A A "C4'" 1
|
| 1350 |
+
ATOM 326 O "O4'" . A A 1 11 ? 4.659 2.051 -4.870 1.00 0.91 ? 11 A A "O4'" 1
|
| 1351 |
+
ATOM 327 C "C3'" . A A 1 11 ? 5.495 0.556 -6.424 1.00 0.95 ? 11 A A "C3'" 1
|
| 1352 |
+
ATOM 328 O "O3'" . A A 1 11 ? 6.725 0.345 -7.124 1.00 1.06 ? 11 A A "O3'" 1
|
| 1353 |
+
ATOM 329 C "C2'" . A A 1 11 ? 5.641 -0.107 -5.062 1.00 0.89 ? 11 A A "C2'" 1
|
| 1354 |
+
ATOM 330 O "O2'" . A A 1 11 ? 7.015 -0.158 -4.670 1.00 0.98 ? 11 A A "O2'" 1
|
| 1355 |
+
ATOM 331 C "C1'" . A A 1 11 ? 4.852 0.827 -4.142 1.00 0.84 ? 11 A A "C1'" 1
|
| 1356 |
+
ATOM 332 N N9 . A A 1 11 ? 3.547 0.248 -3.778 1.00 0.72 ? 11 A A N9 1
|
| 1357 |
+
ATOM 333 C C8 . A A 1 11 ? 2.444 0.044 -4.568 1.00 0.68 ? 11 A A C8 1
|
| 1358 |
+
ATOM 334 N N7 . A A 1 11 ? 1.474 -0.583 -3.959 1.00 0.61 ? 11 A A N7 1
|
| 1359 |
+
ATOM 335 C C5 . A A 1 11 ? 1.972 -0.803 -2.679 1.00 0.60 ? 11 A A C5 1
|
| 1360 |
+
ATOM 336 C C6 . A A 1 11 ? 1.434 -1.425 -1.540 1.00 0.59 ? 11 A A C6 1
|
| 1361 |
+
ATOM 337 N N6 . A A 1 11 ? 0.230 -1.994 -1.510 1.00 0.59 ? 11 A A N6 1
|
| 1362 |
+
ATOM 338 N N1 . A A 1 11 ? 2.193 -1.468 -0.434 1.00 0.63 ? 11 A A N1 1
|
| 1363 |
+
ATOM 339 C C2 . A A 1 11 ? 3.406 -0.930 -0.462 1.00 0.68 ? 11 A A C2 1
|
| 1364 |
+
ATOM 340 N N3 . A A 1 11 ? 4.024 -0.324 -1.463 1.00 0.71 ? 11 A A N3 1
|
| 1365 |
+
ATOM 341 C C4 . A A 1 11 ? 3.233 -0.297 -2.557 1.00 0.67 ? 11 A A C4 1
|
| 1366 |
+
ATOM 342 H "H5'" . A A 1 11 ? 4.344 3.799 -6.637 1.00 1.09 ? 11 A A "H5'" 1
|
| 1367 |
+
ATOM 343 H "H5''" . A A 1 11 ? 5.487 3.218 -7.864 1.00 1.16 ? 11 A A "H5''" 1
|
| 1368 |
+
ATOM 344 H "H4'" . A A 1 11 ? 6.415 2.425 -5.874 1.00 1.09 ? 11 A A "H4'" 1
|
| 1369 |
+
ATOM 345 H "H3'" . A A 1 11 ? 4.637 0.198 -6.991 1.00 0.91 ? 11 A A "H3'" 1
|
| 1370 |
+
ATOM 346 H "H2'" . A A 1 11 ? 5.194 -1.101 -5.070 1.00 0.85 ? 11 A A "H2'" 1
|
| 1371 |
+
ATOM 347 H "HO2'" . A A 1 11 ? 7.144 -0.976 -4.185 1.00 0.97 ? 11 A A "HO2'" 1
|
| 1372 |
+
ATOM 348 H "H1'" . A A 1 11 ? 5.415 1.039 -3.233 1.00 0.88 ? 11 A A "H1'" 1
|
| 1373 |
+
ATOM 349 H H8 . A A 1 11 ? 2.385 0.372 -5.605 1.00 0.73 ? 11 A A H8 1
|
| 1374 |
+
ATOM 350 H H61 . A A 1 11 ? -0.071 -2.494 -0.687 1.00 0.62 ? 11 A A H61 1
|
| 1375 |
+
ATOM 351 H H62 . A A 1 11 ? -0.380 -1.928 -2.312 1.00 0.59 ? 11 A A H62 1
|
| 1376 |
+
ATOM 352 H H2 . A A 1 11 ? 3.971 -0.996 0.468 1.00 0.73 ? 11 A A H2 1
|
| 1377 |
+
ATOM 353 P P . C A 1 12 ? 7.080 -1.103 -7.735 1.00 1.09 ? 12 C A P 1
|
| 1378 |
+
ATOM 354 O OP1 . C A 1 12 ? 8.375 -1.001 -8.445 1.00 1.23 ? 12 C A OP1 1
|
| 1379 |
+
ATOM 355 O OP2 . C A 1 12 ? 5.886 -1.612 -8.447 1.00 1.05 ? 12 C A OP2 1
|
| 1380 |
+
ATOM 356 O "O5'" . C A 1 12 ? 7.300 -2.000 -6.414 1.00 1.03 ? 12 C A "O5'" 1
|
| 1381 |
+
ATOM 357 C "C5'" . C A 1 12 ? 8.604 -2.141 -5.846 1.00 1.09 ? 12 C A "C5'" 1
|
| 1382 |
+
ATOM 358 C "C4'" . C A 1 12 ? 8.560 -2.845 -4.490 1.00 1.04 ? 12 C A "C4'" 1
|
| 1383 |
+
ATOM 359 O "O4'" . C A 1 12 ? 7.409 -2.415 -3.763 1.00 0.92 ? 12 C A "O4'" 1
|
| 1384 |
+
ATOM 360 C "C3'" . C A 1 12 ? 8.393 -4.349 -4.551 1.00 1.05 ? 12 C A "C3'" 1
|
| 1385 |
+
ATOM 361 O "O3'" . C A 1 12 ? 9.702 -4.919 -4.625 1.00 1.17 ? 12 C A "O3'" 1
|
| 1386 |
+
ATOM 362 C "C2'" . C A 1 12 ? 7.836 -4.678 -3.175 1.00 0.98 ? 12 C A "C2'" 1
|
| 1387 |
+
ATOM 363 O "O2'" . C A 1 12 ? 8.894 -4.777 -2.219 1.00 1.05 ? 12 C A "O2'" 1
|
| 1388 |
+
ATOM 364 C "C1'" . C A 1 12 ? 6.957 -3.458 -2.878 1.00 0.88 ? 12 C A "C1'" 1
|
| 1389 |
+
ATOM 365 N N1 . C A 1 12 ? 5.524 -3.724 -3.156 1.00 0.80 ? 12 C A N1 1
|
| 1390 |
+
ATOM 366 C C2 . C A 1 12 ? 4.691 -4.038 -2.085 1.00 0.76 ? 12 C A C2 1
|
| 1391 |
+
ATOM 367 O O2 . C A 1 12 ? 5.146 -4.094 -0.944 1.00 0.79 ? 12 C A O2 1
|
| 1392 |
+
ATOM 368 N N3 . C A 1 12 ? 3.374 -4.282 -2.330 1.00 0.72 ? 12 C A N3 1
|
| 1393 |
+
ATOM 369 C C4 . C A 1 12 ? 2.889 -4.222 -3.577 1.00 0.72 ? 12 C A C4 1
|
| 1394 |
+
ATOM 370 N N4 . C A 1 12 ? 1.590 -4.467 -3.753 1.00 0.71 ? 12 C A N4 1
|
| 1395 |
+
ATOM 371 C C5 . C A 1 12 ? 3.738 -3.903 -4.682 1.00 0.75 ? 12 C A C5 1
|
| 1396 |
+
ATOM 372 C C6 . C A 1 12 ? 5.038 -3.662 -4.428 1.00 0.79 ? 12 C A C6 1
|
| 1397 |
+
ATOM 373 H "H5'" . C A 1 12 ? 9.043 -1.151 -5.719 1.00 1.12 ? 12 C A "H5'" 1
|
| 1398 |
+
ATOM 374 H "H5''" . C A 1 12 ? 9.227 -2.721 -6.527 1.00 1.19 ? 12 C A "H5''" 1
|
| 1399 |
+
ATOM 375 H "H4'" . C A 1 12 ? 9.456 -2.583 -3.925 1.00 1.10 ? 12 C A "H4'" 1
|
| 1400 |
+
ATOM 376 H "H3'" . C A 1 12 ? 7.755 -4.683 -5.370 1.00 1.04 ? 12 C A "H3'" 1
|
| 1401 |
+
ATOM 377 H "H2'" . C A 1 12 ? 7.242 -5.590 -3.199 1.00 0.99 ? 12 C A "H2'" 1
|
| 1402 |
+
ATOM 378 H "HO2'" . C A 1 12 ? 9.653 -5.148 -2.673 1.00 1.28 ? 12 C A "HO2'" 1
|
| 1403 |
+
ATOM 379 H "H1'" . C A 1 12 ? 7.086 -3.128 -1.845 1.00 0.87 ? 12 C A "H1'" 1
|
| 1404 |
+
ATOM 380 H H41 . C A 1 12 ? 1.004 -4.678 -2.958 1.00 0.71 ? 12 C A H41 1
|
| 1405 |
+
ATOM 381 H H42 . C A 1 12 ? 1.192 -4.441 -4.681 1.00 0.72 ? 12 C A H42 1
|
| 1406 |
+
ATOM 382 H H5 . C A 1 12 ? 3.354 -3.854 -5.701 1.00 0.77 ? 12 C A H5 1
|
| 1407 |
+
ATOM 383 H H6 . C A 1 12 ? 5.712 -3.418 -5.249 1.00 0.84 ? 12 C A H6 1
|
| 1408 |
+
ATOM 384 P P . C A 1 13 ? 9.924 -6.368 -5.291 1.00 1.25 ? 13 C A P 1
|
| 1409 |
+
ATOM 385 O OP1 . C A 1 13 ? 11.343 -6.749 -5.106 1.00 1.39 ? 13 C A OP1 1
|
| 1410 |
+
ATOM 386 O OP2 . C A 1 13 ? 9.336 -6.349 -6.649 1.00 1.21 ? 13 C A OP2 1
|
| 1411 |
+
ATOM 387 O "O5'" . C A 1 13 ? 9.020 -7.324 -4.363 1.00 1.24 ? 13 C A "O5'" 1
|
| 1412 |
+
ATOM 388 C "C5'" . C A 1 13 ? 9.553 -7.876 -3.156 1.00 1.28 ? 13 C A "C5'" 1
|
| 1413 |
+
ATOM 389 C "C4'" . C A 1 13 ? 8.445 -8.335 -2.211 1.00 1.24 ? 13 C A "C4'" 1
|
| 1414 |
+
ATOM 390 O "O4'" . C A 1 13 ? 7.362 -7.418 -2.272 1.00 1.10 ? 13 C A "O4'" 1
|
| 1415 |
+
ATOM 391 C "C3'" . C A 1 13 ? 7.800 -9.660 -2.573 1.00 1.31 ? 13 C A "C3'" 1
|
| 1416 |
+
ATOM 392 O "O3'" . C A 1 13 ? 8.578 10.751 -2.076 1.00 1.45 ? 13 C A "O3'" 1
|
| 1417 |
+
ATOM 393 C "C2'" . C A 1 13 ? 6.464 -9.570 -1.833 1.00 1.24 ? 13 C A "C2'" 1
|
| 1418 |
+
ATOM 394 O "O2'" . C A 1 13 ? 6.604 10.057 -0.496 1.00 1.30 ? 13 C A "O2'" 1
|
| 1419 |
+
ATOM 395 C "C1'" . C A 1 13 ? 6.165 -8.063 -1.823 1.00 1.09 ? 13 C A "C1'" 1
|
| 1420 |
+
ATOM 396 N N1 . C A 1 13 ? 5.062 -7.705 -2.744 1.00 1.02 ? 13 C A N1 1
|
| 1421 |
+
ATOM 397 C C2 . C A 1 13 ? 3.766 -7.726 -2.246 1.00 0.98 ? 13 C A C2 1
|
| 1422 |
+
ATOM 398 O O2 . C A 1 13 ? 3.561 -8.029 -1.073 1.00 0.99 ? 13 C A O2 1
|
| 1423 |
+
ATOM 399 N N3 . C A 1 13 ? 2.739 -7.404 -3.080 1.00 0.95 ? 13 C A N3 1
|
| 1424 |
+
ATOM 400 C C4 . C A 1 13 ? 2.974 -7.073 -4.357 1.00 0.94 ? 13 C A C4 1
|
| 1425 |
+
ATOM 401 N N4 . C A 1 13 ? 1.928 -6.767 -5.124 1.00 0.93 ? 13 C A N4 1
|
| 1426 |
+
ATOM 402 C C5 . C A 1 13 ? 4.306 -7.050 -4.877 1.00 0.98 ? 13 C A C5 1
|
| 1427 |
+
ATOM 403 C C6 . C A 1 13 ? 5.313 -7.371 -4.043 1.00 1.02 ? 13 C A C6 1
|
| 1428 |
+
ATOM 404 H "H5'" . C A 1 13 ? 10.157 -7.119 -2.656 1.00 1.25 ? 13 C A "H5'" 1
|
| 1429 |
+
ATOM 405 H "H5''" . C A 1 13 ? 10.185 -8.729 -3.404 1.00 1.40 ? 13 C A "H5''" 1
|
| 1430 |
+
ATOM 406 H "H4'" . C A 1 13 ? 8.832 -8.363 -1.192 1.00 1.27 ? 13 C A "H4'" 1
|
| 1431 |
+
ATOM 407 H "H3'" . C A 1 13 ? 7.647 -9.741 -3.649 1.00 1.31 ? 13 C A "H3'" 1
|
| 1432 |
+
ATOM 408 H "HO3'" . C A 1 13 ? 8.376 10.844 -1.142 1.00 1.59 ? 13 C A "HO3'" 1
|
| 1433 |
+
ATOM 409 H "HO2'" . C A 1 13 ? 7.167 -9.439 -0.024 1.00 1.32 ? 13 C A "HO2'" 1
|
| 1434 |
+
ATOM 410 H "H1'" . C A 1 13 ? 5.932 -7.719 -0.813 1.00 1.05 ? 13 C A "H1'" 1
|
| 1435 |
+
ATOM 411 H H41 . C A 1 13 ? 0.996 -6.778 -4.735 1.00 0.94 ? 13 C A H41 1
|
| 1436 |
+
ATOM 412 H H42 . C A 1 13 ? 2.067 -6.523 -6.094 1.00 0.94 ? 13 C A H42 1
|
| 1437 |
+
ATOM 413 H H5 . C A 1 13 ? 4.509 -6.781 -5.913 1.00 0.99 ? 13 C A H5 1
|
| 1438 |
+
ATOM 414 H H6 . C A 1 13 ? 6.339 -7.367 -4.410 1.00 1.08 ? 13 C A H6 1
|
| 1439 |
+
ATOM 415 H "H2''" . C A 1 13 ? 5.687 10.115 -2.369 1.00 1.27 ? 13 C A "H2''" 1
|
| 1440 |
+
#
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