NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
647478 | 6o0c | 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_
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