Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
647487 | 6o0i RC | 30574 | cing | 2-parsed | STAR | entry | full |
data_6o0i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6o0i
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_6o0i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6o0i
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6o0i "Master copy" parsed_6o0i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6o0i
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6o0i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6o0i 1
1 6o0i.mr . . "MR format" 2 comment "Not applicable" "Not applicable" 0 parsed_6o0i 1
1 6o0i.mr . . STAR 3 "chemical shift" "Not applicable" "Not applicable" 0 parsed_6o0i 1
1 6o0i.mr . . STAR 4 distance "general distance" simple 0 parsed_6o0i 1
1 6o0i.mr . . STAR 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6o0i 1
1 6o0i.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6o0i 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6o0i
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DE NOVO PROTEIN 16-FEB-19 6O0I
*TITLE NMR ENSEMBLE OF COMPUTATIONALLY DESIGNED PROTEIN XAA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DESIGN CONSTRUCT XAA;
*COMPND 3 CHAIN: A, B, C;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
*SOURCE 3 ORGANISM_TAXID: 32630;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET28
*KEYWDS DE NOVO PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR K.Y.WEI,D.MOSCHIDI,S.NERLI,N.SGOURAKIS,D.BAKER
*REVDAT 1 22-APR-20 6O0I 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6o0i
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
# Restraints file 1: XAA_final_denovo_NMR_data_KkvVnUY.str
data_nef_csrosetta_test_1
#######################
# Entry information #
#######################
save_nef_nmr_meta_data
_Entry.Sf_category entry_information
_Entry.Sf_framecode nef_nmr_meta_data
_Entry.NMR_STAR_version 3.2.0.4
_Entry.Source_data_format nmr_exchange_format
_Entry.Source_data_format_version 1.1
_Entry.Generated_software_name Rosetta
_Entry.Generated_software_version 3.0
_Entry.Generated_date 2019-02-15
_Entry.UUID Rosetta_Fri_Feb_15_12:38:24_PST_c1ead2bf-4b03-48f6-baaf-4e19be76074a
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_nef_molecular_system
_Assembly.Sf_category assembly
_Assembly.Sf_framecode nef_molecular_system
loop_
_Chem_comp_assembly.Entity_assembly_ID
_Chem_comp_assembly.Comp_index_ID
_Chem_comp_assembly.Comp_ID
_Chem_comp_assembly.Auth_asym_ID
_Chem_comp_assembly.Auth_seq_ID
_Chem_comp_assembly.Auth_comp_ID
_Chem_comp_assembly.Auth_variant_ID
_Chem_comp_assembly.Sequence_linking
_Chem_comp_assembly.NEF_index
1 1 GLY A 1 GLY . start 1
1 2 SER A 2 SER . middle 2
1 3 HIS A 3 HIS . middle 3
1 4 MET A 4 MET . middle 4
1 5 GLY A 5 GLY . middle 5
1 6 THR A 6 THR . middle 6
1 7 GLU A 7 GLU . middle 7
1 8 ASP A 8 ASP . middle 8
1 9 LEU A 9 LEU . middle 9
1 10 LYS A 10 LYS . middle 10
1 11 TYR A 11 TYR . middle 11
1 12 SER A 12 SER . middle 12
1 13 LEU A 13 LEU . middle 13
1 14 GLU A 14 GLU . middle 14
1 15 ARG A 15 ARG . middle 15
1 16 LEU A 16 LEU . middle 16
1 17 ARG A 17 ARG . middle 17
1 18 GLU A 18 GLU . middle 18
1 19 ILE A 19 ILE . middle 19
1 20 LEU A 20 LEU . middle 20
1 21 GLU A 21 GLU . middle 21
1 22 ARG A 22 ARG . middle 22
1 23 LEU A 23 LEU . middle 23
1 24 GLU A 24 GLU . middle 24
1 25 GLU A 25 GLU . middle 25
1 26 ASN A 26 ASN . middle 26
1 27 PRO A 27 PRO . middle 27
1 28 SER A 28 SER . middle 28
1 29 GLU A 29 GLU . middle 29
1 30 LYS A 30 LYS . middle 30
1 31 GLN A 31 GLN . middle 31
1 32 ILE A 32 ILE . middle 32
1 33 VAL A 33 VAL . middle 33
1 34 GLU A 34 GLU . middle 34
1 35 ALA A 35 ALA . middle 35
1 36 ILE A 36 ILE . middle 36
1 37 ARG A 37 ARG . middle 37
1 38 ALA A 38 ALA . middle 38
1 39 ILE A 39 ILE . middle 39
1 40 VAL A 40 VAL . middle 40
1 41 GLU A 41 GLU . middle 41
1 42 ASN A 42 ASN . middle 42
1 43 ASN A 43 ASN . middle 43
1 44 ALA A 44 ALA . middle 44
1 45 GLN A 45 GLN . middle 45
1 46 ILE A 46 ILE . middle 46
1 47 VAL A 47 VAL . middle 47
1 48 GLU A 48 GLU . middle 48
1 49 ALA A 49 ALA . middle 49
1 50 ILE A 50 ILE . middle 50
1 51 ARG A 51 ARG . middle 51
1 52 ALA A 52 ALA . middle 52
1 53 ILE A 53 ILE . middle 53
1 54 VAL A 54 VAL . middle 54
1 55 GLU A 55 GLU . middle 55
1 56 ASN A 56 ASN . middle 56
1 57 ASN A 57 ASN . middle 57
1 58 ALA A 58 ALA . middle 58
1 59 GLN A 59 GLN . middle 59
1 60 ILE A 60 ILE . middle 60
1 61 VAL A 61 VAL . middle 61
1 62 GLU A 62 GLU . middle 62
1 63 ASN A 63 ASN . middle 63
1 64 ASN A 64 ASN . middle 64
1 65 ARG A 65 ARG . middle 65
1 66 ALA A 66 ALA . middle 66
1 67 ILE A 67 ILE . middle 67
1 68 ILE A 68 ILE . middle 68
1 69 GLU A 69 GLU . middle 69
1 70 ALA A 70 ALA . middle 70
1 71 LEU A 71 LEU . middle 71
1 72 GLU A 72 GLU . middle 72
1 73 ALA A 73 ALA . middle 73
1 74 ILE A 74 ILE . middle 74
1 75 GLY A 75 GLY . middle 75
1 76 GLY A 76 GLY . middle 76
1 77 GLY A 77 GLY . middle 77
1 78 THR A 78 THR . middle 78
1 79 LYS A 79 LYS . middle 79
1 80 ILE A 80 ILE . middle 80
1 81 LEU A 81 LEU . middle 81
1 82 GLU A 82 GLU . middle 82
1 83 GLU A 83 GLU . middle 83
1 84 MET A 84 MET . middle 84
1 85 LYS A 85 LYS . middle 85
1 86 LYS A 86 LYS . middle 86
1 87 GLN A 87 GLN . middle 87
1 88 LEU A 88 LEU . middle 88
1 89 LYS A 89 LYS . middle 89
1 90 ASP A 90 ASP . middle 90
1 91 LEU A 91 LEU . middle 91
1 92 LYS A 92 LYS . middle 92
1 93 ARG A 93 ARG . middle 93
1 94 SER A 94 SER . middle 94
1 95 LEU A 95 LEU . middle 95
1 96 GLU A 96 GLU . middle 96
1 97 ARG A 97 ARG . middle 97
1 98 GLY A 98 GLY . middle 98
1 99 GLY B 1 GLY . middle 99
1 100 SER B 2 SER . middle 100
1 101 HIS B 3 HIS . middle 101
1 102 MET B 4 MET . middle 102
1 103 GLY B 5 GLY . middle 103
1 104 THR B 6 THR . middle 104
1 105 GLU B 7 GLU . middle 105
1 106 ASP B 8 ASP . middle 106
1 107 LEU B 9 LEU . middle 107
1 108 LYS B 10 LYS . middle 108
1 109 TYR B 11 TYR . middle 109
1 110 SER B 12 SER . middle 110
1 111 LEU B 13 LEU . middle 111
1 112 GLU B 14 GLU . middle 112
1 113 ARG B 15 ARG . middle 113
1 114 LEU B 16 LEU . middle 114
1 115 ARG B 17 ARG . middle 115
1 116 GLU B 18 GLU . middle 116
1 117 ILE B 19 ILE . middle 117
1 118 LEU B 20 LEU . middle 118
1 119 GLU B 21 GLU . middle 119
1 120 ARG B 22 ARG . middle 120
1 121 LEU B 23 LEU . middle 121
1 122 GLU B 24 GLU . middle 122
1 123 GLU B 25 GLU . middle 123
1 124 ASN B 26 ASN . middle 124
1 125 PRO B 27 PRO . middle 125
1 126 SER B 28 SER . middle 126
1 127 GLU B 29 GLU . middle 127
1 128 LYS B 30 LYS . middle 128
1 129 GLN B 31 GLN . middle 129
1 130 ILE B 32 ILE . middle 130
1 131 VAL B 33 VAL . middle 131
1 132 GLU B 34 GLU . middle 132
1 133 ALA B 35 ALA . middle 133
1 134 ILE B 36 ILE . middle 134
1 135 ARG B 37 ARG . middle 135
1 136 ALA B 38 ALA . middle 136
1 137 ILE B 39 ILE . middle 137
1 138 VAL B 40 VAL . middle 138
1 139 GLU B 41 GLU . middle 139
1 140 ASN B 42 ASN . middle 140
1 141 ASN B 43 ASN . middle 141
1 142 ALA B 44 ALA . middle 142
1 143 GLN B 45 GLN . middle 143
1 144 ILE B 46 ILE . middle 144
1 145 VAL B 47 VAL . middle 145
1 146 GLU B 48 GLU . middle 146
1 147 ALA B 49 ALA . middle 147
1 148 ILE B 50 ILE . middle 148
1 149 ARG B 51 ARG . middle 149
1 150 ALA B 52 ALA . middle 150
1 151 ILE B 53 ILE . middle 151
1 152 VAL B 54 VAL . middle 152
1 153 GLU B 55 GLU . middle 153
1 154 ASN B 56 ASN . middle 154
1 155 ASN B 57 ASN . middle 155
1 156 ALA B 58 ALA . middle 156
1 157 GLN B 59 GLN . middle 157
1 158 ILE B 60 ILE . middle 158
1 159 VAL B 61 VAL . middle 159
1 160 GLU B 62 GLU . middle 160
1 161 ASN B 63 ASN . middle 161
1 162 ASN B 64 ASN . middle 162
1 163 ARG B 65 ARG . middle 163
1 164 ALA B 66 ALA . middle 164
1 165 ILE B 67 ILE . middle 165
1 166 ILE B 68 ILE . middle 166
1 167 GLU B 69 GLU . middle 167
1 168 ALA B 70 ALA . middle 168
1 169 LEU B 71 LEU . middle 169
1 170 GLU B 72 GLU . middle 170
1 171 ALA B 73 ALA . middle 171
1 172 ILE B 74 ILE . middle 172
1 173 GLY B 75 GLY . middle 173
1 174 GLY B 76 GLY . middle 174
1 175 GLY B 77 GLY . middle 175
1 176 THR B 78 THR . middle 176
1 177 LYS B 79 LYS . middle 177
1 178 ILE B 80 ILE . middle 178
1 179 LEU B 81 LEU . middle 179
1 180 GLU B 82 GLU . middle 180
1 181 GLU B 83 GLU . middle 181
1 182 MET B 84 MET . middle 182
1 183 LYS B 85 LYS . middle 183
1 184 LYS B 86 LYS . middle 184
1 185 GLN B 87 GLN . middle 185
1 186 LEU B 88 LEU . middle 186
1 187 LYS B 89 LYS . middle 187
1 188 ASP B 90 ASP . middle 188
1 189 LEU B 91 LEU . middle 189
1 190 LYS B 92 LYS . middle 190
1 191 ARG B 93 ARG . middle 191
1 192 SER B 94 SER . middle 192
1 193 LEU B 95 LEU . middle 193
1 194 GLU B 96 GLU . middle 194
1 195 ARG B 97 ARG . middle 195
1 196 GLY B 98 GLY . middle 196
1 197 GLY C 1 GLY . middle 197
1 198 SER C 2 SER . middle 198
1 199 HIS C 3 HIS . middle 199
1 200 MET C 4 MET . middle 200
1 201 GLY C 5 GLY . middle 201
1 202 THR C 6 THR . middle 202
1 203 GLU C 7 GLU . middle 203
1 204 ASP C 8 ASP . middle 204
1 205 LEU C 9 LEU . middle 205
1 206 LYS C 10 LYS . middle 206
1 207 TYR C 11 TYR . middle 207
1 208 SER C 12 SER . middle 208
1 209 LEU C 13 LEU . middle 209
1 210 GLU C 14 GLU . middle 210
1 211 ARG C 15 ARG . middle 211
1 212 LEU C 16 LEU . middle 212
1 213 ARG C 17 ARG . middle 213
1 214 GLU C 18 GLU . middle 214
1 215 ILE C 19 ILE . middle 215
1 216 LEU C 20 LEU . middle 216
1 217 GLU C 21 GLU . middle 217
1 218 ARG C 22 ARG . middle 218
1 219 LEU C 23 LEU . middle 219
1 220 GLU C 24 GLU . middle 220
1 221 GLU C 25 GLU . middle 221
1 222 ASN C 26 ASN . middle 222
1 223 PRO C 27 PRO . middle 223
1 224 SER C 28 SER . middle 224
1 225 GLU C 29 GLU . middle 225
1 226 LYS C 30 LYS . middle 226
1 227 GLN C 31 GLN . middle 227
1 228 ILE C 32 ILE . middle 228
1 229 VAL C 33 VAL . middle 229
1 230 GLU C 34 GLU . middle 230
1 231 ALA C 35 ALA . middle 231
1 232 ILE C 36 ILE . middle 232
1 233 ARG C 37 ARG . middle 233
1 234 ALA C 38 ALA . middle 234
1 235 ILE C 39 ILE . middle 235
1 236 VAL C 40 VAL . middle 236
1 237 GLU C 41 GLU . middle 237
1 238 ASN C 42 ASN . middle 238
1 239 ASN C 43 ASN . middle 239
1 240 ALA C 44 ALA . middle 240
1 241 GLN C 45 GLN . middle 241
1 242 ILE C 46 ILE . middle 242
1 243 VAL C 47 VAL . middle 243
1 244 GLU C 48 GLU . middle 244
1 245 ALA C 49 ALA . middle 245
1 246 ILE C 50 ILE . middle 246
1 247 ARG C 51 ARG . middle 247
1 248 ALA C 52 ALA . middle 248
1 249 ILE C 53 ILE . middle 249
1 250 VAL C 54 VAL . middle 250
1 251 GLU C 55 GLU . middle 251
1 252 ASN C 56 ASN . middle 252
1 253 ASN C 57 ASN . middle 253
1 254 ALA C 58 ALA . middle 254
1 255 GLN C 59 GLN . middle 255
1 256 ILE C 60 ILE . middle 256
1 257 VAL C 61 VAL . middle 257
1 258 GLU C 62 GLU . middle 258
1 259 ASN C 63 ASN . middle 259
1 260 ASN C 64 ASN . middle 260
1 261 ARG C 65 ARG . middle 261
1 262 ALA C 66 ALA . middle 262
1 263 ILE C 67 ILE . middle 263
1 264 ILE C 68 ILE . middle 264
1 265 GLU C 69 GLU . middle 265
1 266 ALA C 70 ALA . middle 266
1 267 LEU C 71 LEU . middle 267
1 268 GLU C 72 GLU . middle 268
1 269 ALA C 73 ALA . middle 269
1 270 ILE C 74 ILE . middle 270
1 271 GLY C 75 GLY . middle 271
1 272 GLY C 76 GLY . middle 272
1 273 GLY C 77 GLY . middle 273
1 274 THR C 78 THR . middle 274
1 275 LYS C 79 LYS . middle 275
1 276 ILE C 80 ILE . middle 276
1 277 LEU C 81 LEU . middle 277
1 278 GLU C 82 GLU . middle 278
1 279 GLU C 83 GLU . middle 279
1 280 MET C 84 MET . middle 280
1 281 LYS C 85 LYS . middle 281
1 282 LYS C 86 LYS . middle 282
1 283 GLN C 87 GLN . middle 283
1 284 LEU C 88 LEU . middle 284
1 285 LYS C 89 LYS . middle 285
1 286 ASP C 90 ASP . middle 286
1 287 LEU C 91 LEU . middle 287
1 288 LYS C 92 LYS . middle 288
1 289 ARG C 93 ARG . middle 289
1 290 SER C 94 SER . middle 290
1 291 LEU C 95 LEU . middle 291
1 292 GLU C 96 GLU . middle 292
1 293 ARG C 97 ARG . middle 293
1 294 GLY C 98 GLY . end 294
stop_
save_
;
save_