Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
647478 | 6o0c RC | 30573 | cing | 2-parsed | STAR | entry | full |
data_6o0c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6o0c
_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_6o0c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6o0c
_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 6o0c "Master copy" parsed_6o0c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6o0c
_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 6o0c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6o0c 1
1 6o0c.mr . . "MR format" 2 comment "Not applicable" "Not applicable" 0 parsed_6o0c 1
1 6o0c.mr . . STAR 3 "chemical shift" "Not applicable" "Not applicable" 0 parsed_6o0c 1
1 6o0c.mr . . STAR 4 distance "general distance" simple 0 parsed_6o0c 1
1 6o0c.mr . . STAR 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6o0c 1
1 6o0c.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6o0c 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_6o0c
_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 15-FEB-19 6O0C
*TITLE NMR ENSEMBLE OF COMPUTATIONALLY DESIGNED PROTEIN XAA_GVDQ MUTANT M4L
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DESIGN CONSTRUCT XAA_GVDQ MUTANT M4L;
*COMPND 3 CHAIN: A, B, C;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MUTATION: 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: PET28B
*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 6O0C 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6o0c
_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_GVDQ_k170_final_denovo_NMR_data__2E9ZYt1.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 2019-02-01
_Entry.UUID Rosetta_Fri_Feb_1_00:33:21_PST_2380c196-ca78-4ed6-ab40-7269ce447dc1
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 LEU A 4 LEU . middle 4
1 5 GLY A 5 GLY . middle 5
1 6 ASP A 6 ASP . middle 6
1 7 LEU A 7 LEU . middle 7
1 8 LYS A 8 LYS . middle 8
1 9 TYR A 9 TYR . middle 9
1 10 SER A 10 SER . middle 10
1 11 LEU A 11 LEU . middle 11
1 12 GLU A 12 GLU . middle 12
1 13 ARG A 13 ARG . middle 13
1 14 LEU A 14 LEU . middle 14
1 15 ARG A 15 ARG . middle 15
1 16 GLU A 16 GLU . middle 16
1 17 ILE A 17 ILE . middle 17
1 18 LEU A 18 LEU . middle 18
1 19 GLU A 19 GLU . middle 19
1 20 ARG A 20 ARG . middle 20
1 21 LEU A 21 LEU . middle 21
1 22 GLU A 22 GLU . middle 22
1 23 GLU A 23 GLU . middle 23
1 24 ASN A 24 ASN . middle 24
1 25 PRO A 25 PRO . middle 25
1 26 SER A 26 SER . middle 26
1 27 GLU A 27 GLU . middle 27
1 28 LYS A 28 LYS . middle 28
1 29 GLN A 29 GLN . middle 29
1 30 ILE A 30 ILE . middle 30
1 31 VAL A 31 VAL . middle 31
1 32 GLU A 32 GLU . middle 32
1 33 ALA A 33 ALA . middle 33
1 34 ILE A 34 ILE . middle 34
1 35 ARG A 35 ARG . middle 35
1 36 ALA A 36 ALA . middle 36
1 37 ILE A 37 ILE . middle 37
1 38 VAL A 38 VAL . middle 38
1 39 GLU A 39 GLU . middle 39
1 40 ASN A 40 ASN . middle 40
1 41 ASN A 41 ASN . middle 41
1 42 ALA A 42 ALA . middle 42
1 43 GLN A 43 GLN . middle 43
1 44 ILE A 44 ILE . middle 44
1 45 VAL A 45 VAL . middle 45
1 46 GLU A 46 GLU . middle 46
1 47 ALA A 47 ALA . middle 47
1 48 ILE A 48 ILE . middle 48
1 49 ARG A 49 ARG . middle 49
1 50 ALA A 50 ALA . middle 50
1 51 ILE A 51 ILE . middle 51
1 52 VAL A 52 VAL . middle 52
1 53 GLU A 53 GLU . middle 53
1 54 ASN A 54 ASN . middle 54
1 55 ASN A 55 ASN . middle 55
1 56 ALA A 56 ALA . middle 56
1 57 GLN A 57 GLN . middle 57
1 58 ILE A 58 ILE . middle 58
1 59 VAL A 59 VAL . middle 59
1 60 GLU A 60 GLU . middle 60
1 61 ASN A 61 ASN . middle 61
1 62 ASN A 62 ASN . middle 62
1 63 ARG A 63 ARG . middle 63
1 64 ALA A 64 ALA . middle 64
1 65 ILE A 65 ILE . middle 65
1 66 ILE A 66 ILE . middle 66
1 67 GLU A 67 GLU . middle 67
1 68 ALA A 68 ALA . middle 68
1 69 LEU A 69 LEU . middle 69
1 70 GLU A 70 GLU . middle 70
1 71 ALA A 71 ALA . middle 71
1 72 ILE A 72 ILE . middle 72
1 73 GLY A 73 GLY . middle 73
1 74 VAL A 74 VAL . middle 74
1 75 ASP A 75 ASP . middle 75
1 76 GLN A 76 GLN . middle 76
1 77 LYS A 77 LYS . middle 77
1 78 ILE A 78 ILE . middle 78
1 79 LEU A 79 LEU . middle 79
1 80 GLU A 80 GLU . middle 80
1 81 GLU A 81 GLU . middle 81
1 82 MET A 82 MET . middle 82
1 83 LYS A 83 LYS . middle 83
1 84 LYS A 84 LYS . middle 84
1 85 GLN A 85 GLN . middle 85
1 86 LEU A 86 LEU . middle 86
1 87 LYS A 87 LYS . middle 87
1 88 ASP A 88 ASP . middle 88
1 89 LEU A 89 LEU . middle 89
1 90 LYS A 90 LYS . middle 90
1 91 ARG A 91 ARG . middle 91
1 92 SER A 92 SER . middle 92
1 93 LEU A 93 LEU . middle 93
1 94 GLU A 94 GLU . middle 94
1 95 ARG A 95 ARG . middle 95
1 96 GLY A 96 GLY . middle 96
1 97 GLY B 1 GLY . middle 97
1 98 SER B 2 SER . middle 98
1 99 HIS B 3 HIS . middle 99
1 100 LEU B 4 LEU . middle 100
1 101 GLY B 5 GLY . middle 101
1 102 ASP B 6 ASP . middle 102
1 103 LEU B 7 LEU . middle 103
1 104 LYS B 8 LYS . middle 104
1 105 TYR B 9 TYR . middle 105
1 106 SER B 10 SER . middle 106
1 107 LEU B 11 LEU . middle 107
1 108 GLU B 12 GLU . middle 108
1 109 ARG B 13 ARG . middle 109
1 110 LEU B 14 LEU . middle 110
1 111 ARG B 15 ARG . middle 111
1 112 GLU B 16 GLU . middle 112
1 113 ILE B 17 ILE . middle 113
1 114 LEU B 18 LEU . middle 114
1 115 GLU B 19 GLU . middle 115
1 116 ARG B 20 ARG . middle 116
1 117 LEU B 21 LEU . middle 117
1 118 GLU B 22 GLU . middle 118
1 119 GLU B 23 GLU . middle 119
1 120 ASN B 24 ASN . middle 120
1 121 PRO B 25 PRO . middle 121
1 122 SER B 26 SER . middle 122
1 123 GLU B 27 GLU . middle 123
1 124 LYS B 28 LYS . middle 124
1 125 GLN B 29 GLN . middle 125
1 126 ILE B 30 ILE . middle 126
1 127 VAL B 31 VAL . middle 127
1 128 GLU B 32 GLU . middle 128
1 129 ALA B 33 ALA . middle 129
1 130 ILE B 34 ILE . middle 130
1 131 ARG B 35 ARG . middle 131
1 132 ALA B 36 ALA . middle 132
1 133 ILE B 37 ILE . middle 133
1 134 VAL B 38 VAL . middle 134
1 135 GLU B 39 GLU . middle 135
1 136 ASN B 40 ASN . middle 136
1 137 ASN B 41 ASN . middle 137
1 138 ALA B 42 ALA . middle 138
1 139 GLN B 43 GLN . middle 139
1 140 ILE B 44 ILE . middle 140
1 141 VAL B 45 VAL . middle 141
1 142 GLU B 46 GLU . middle 142
1 143 ALA B 47 ALA . middle 143
1 144 ILE B 48 ILE . middle 144
1 145 ARG B 49 ARG . middle 145
1 146 ALA B 50 ALA . middle 146
1 147 ILE B 51 ILE . middle 147
1 148 VAL B 52 VAL . middle 148
1 149 GLU B 53 GLU . middle 149
1 150 ASN B 54 ASN . middle 150
1 151 ASN B 55 ASN . middle 151
1 152 ALA B 56 ALA . middle 152
1 153 GLN B 57 GLN . middle 153
1 154 ILE B 58 ILE . middle 154
1 155 VAL B 59 VAL . middle 155
1 156 GLU B 60 GLU . middle 156
1 157 ASN B 61 ASN . middle 157
1 158 ASN B 62 ASN . middle 158
1 159 ARG B 63 ARG . middle 159
1 160 ALA B 64 ALA . middle 160
1 161 ILE B 65 ILE . middle 161
1 162 ILE B 66 ILE . middle 162
1 163 GLU B 67 GLU . middle 163
1 164 ALA B 68 ALA . middle 164
1 165 LEU B 69 LEU . middle 165
1 166 GLU B 70 GLU . middle 166
1 167 ALA B 71 ALA . middle 167
1 168 ILE B 72 ILE . middle 168
1 169 GLY B 73 GLY . middle 169
1 170 VAL B 74 VAL . middle 170
1 171 ASP B 75 ASP . middle 171
1 172 GLN B 76 GLN . middle 172
1 173 LYS B 77 LYS . middle 173
1 174 ILE B 78 ILE . middle 174
1 175 LEU B 79 LEU . middle 175
1 176 GLU B 80 GLU . middle 176
1 177 GLU B 81 GLU . middle 177
1 178 MET B 82 MET . middle 178
1 179 LYS B 83 LYS . middle 179
1 180 LYS B 84 LYS . middle 180
1 181 GLN B 85 GLN . middle 181
1 182 LEU B 86 LEU . middle 182
1 183 LYS B 87 LYS . middle 183
1 184 ASP B 88 ASP . middle 184
1 185 LEU B 89 LEU . middle 185
1 186 LYS B 90 LYS . middle 186
1 187 ARG B 91 ARG . middle 187
1 188 SER B 92 SER . middle 188
1 189 LEU B 93 LEU . middle 189
1 190 GLU B 94 GLU . middle 190
1 191 ARG B 95 ARG . middle 191
1 192 GLY B 96 GLY . middle 192
1 193 GLY C 1 GLY . middle 193
1 194 SER C 2 SER . middle 194
1 195 HIS C 3 HIS . middle 195
1 196 LEU C 4 LEU . middle 196
1 197 GLY C 5 GLY . middle 197
1 198 ASP C 6 ASP . middle 198
1 199 LEU C 7 LEU . middle 199
1 200 LYS C 8 LYS . middle 200
1 201 TYR C 9 TYR . middle 201
1 202 SER C 10 SER . middle 202
1 203 LEU C 11 LEU . middle 203
1 204 GLU C 12 GLU . middle 204
1 205 ARG C 13 ARG . middle 205
1 206 LEU C 14 LEU . middle 206
1 207 ARG C 15 ARG . middle 207
1 208 GLU C 16 GLU . middle 208
1 209 ILE C 17 ILE . middle 209
1 210 LEU C 18 LEU . middle 210
1 211 GLU C 19 GLU . middle 211
1 212 ARG C 20 ARG . middle 212
1 213 LEU C 21 LEU . middle 213
1 214 GLU C 22 GLU . middle 214
1 215 GLU C 23 GLU . middle 215
1 216 ASN C 24 ASN . middle 216
1 217 PRO C 25 PRO . middle 217
1 218 SER C 26 SER . middle 218
1 219 GLU C 27 GLU . middle 219
1 220 LYS C 28 LYS . middle 220
1 221 GLN C 29 GLN . middle 221
1 222 ILE C 30 ILE . middle 222
1 223 VAL C 31 VAL . middle 223
1 224 GLU C 32 GLU . middle 224
1 225 ALA C 33 ALA . middle 225
1 226 ILE C 34 ILE . middle 226
1 227 ARG C 35 ARG . middle 227
1 228 ALA C 36 ALA . middle 228
1 229 ILE C 37 ILE . middle 229
1 230 VAL C 38 VAL . middle 230
1 231 GLU C 39 GLU . middle 231
1 232 ASN C 40 ASN . middle 232
1 233 ASN C 41 ASN . middle 233
1 234 ALA C 42 ALA . middle 234
1 235 GLN C 43 GLN . middle 235
1 236 ILE C 44 ILE . middle 236
1 237 VAL C 45 VAL . middle 237
1 238 GLU C 46 GLU . middle 238
1 239 ALA C 47 ALA . middle 239
1 240 ILE C 48 ILE . middle 240
1 241 ARG C 49 ARG . middle 241
1 242 ALA C 50 ALA . middle 242
1 243 ILE C 51 ILE . middle 243
1 244 VAL C 52 VAL . middle 244
1 245 GLU C 53 GLU . middle 245
1 246 ASN C 54 ASN . middle 246
1 247 ASN C 55 ASN . middle 247
1 248 ALA C 56 ALA . middle 248
1 249 GLN C 57 GLN . middle 249
1 250 ILE C 58 ILE . middle 250
1 251 VAL C 59 VAL . middle 251
1 252 GLU C 60 GLU . middle 252
1 253 ASN C 61 ASN . middle 253
1 254 ASN C 62 ASN . middle 254
1 255 ARG C 63 ARG . middle 255
1 256 ALA C 64 ALA . middle 256
1 257 ILE C 65 ILE . middle 257
1 258 ILE C 66 ILE . middle 258
1 259 GLU C 67 GLU . middle 259
1 260 ALA C 68 ALA . middle 260
1 261 LEU C 69 LEU . middle 261
1 262 GLU C 70 GLU . middle 262
1 263 ALA C 71 ALA . middle 263
1 264 ILE C 72 ILE . middle 264
1 265 GLY C 73 GLY . middle 265
1 266 VAL C 74 VAL . middle 266
1 267 ASP C 75 ASP . middle 267
1 268 GLN C 76 GLN . middle 268
1 269 LYS C 77 LYS . middle 269
1 270 ILE C 78 ILE . middle 270
1 271 LEU C 79 LEU . middle 271
1 272 GLU C 80 GLU . middle 272
1 273 GLU C 81 GLU . middle 273
1 274 MET C 82 MET . middle 274
1 275 LYS C 83 LYS . middle 275
1 276 LYS C 84 LYS . middle 276
1 277 GLN C 85 GLN . middle 277
1 278 LEU C 86 LEU . middle 278
1 279 LYS C 87 LYS . middle 279
1 280 ASP C 88 ASP . middle 280
1 281 LEU C 89 LEU . middle 281
1 282 LYS C 90 LYS . middle 282
1 283 ARG C 91 ARG . middle 283
1 284 SER C 92 SER . middle 284
1 285 LEU C 93 LEU . middle 285
1 286 GLU C 94 GLU . middle 286
1 287 ARG C 95 ARG . middle 287
1 288 GLY C 96 GLY . end 288
stop_
save_
;
save_