NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
647487 | 6o0i | 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_
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