NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
30033 |
1brv   |
4020 | cing | recoord | 2-parsed | STAR | dihedral angle | 29 |
data_1brv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1brv
_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_1brv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1brv
_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 1brv "Master copy" parsed_1brv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1brv
_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 1brv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1brv 1
1 1brv.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1brv 1
1 1brv.mr . . DISCOVER 3 distance NOE simple 264 parsed_1brv 1
1 1brv.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1brv 1
1 1brv.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 29 parsed_1brv 1
1 1brv.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1brv 1
1 1brv.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1brv 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1brv
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 173 CYS N 1 173 CYS CA 1 173 CYS CB 1 173 CYS SG parsed_1brv 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.000 100.000 . 1 174 SER N 1 174 SER CA 1 174 SER CB 1 174 SER OG parsed_1brv 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 176 CYS N 1 176 CYS CA 1 176 CYS CB 1 176 CYS SG parsed_1brv 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 -140.000 . 1 179 ASN N 1 179 ASN CA 1 179 ASN CB 1 179 ASN CG parsed_1brv 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 180 LEU N 1 180 LEU CA 1 180 LEU CB 1 180 LEU CG parsed_1brv 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 -140.000 . 1 182 CYS N 1 182 CYS CA 1 182 CYS CB 1 182 CYS SG parsed_1brv 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 183 LEU N 1 183 LEU CA 1 183 LEU CB 1 183 LEU CG parsed_1brv 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.000 100.000 . 1 186 CYS N 1 186 CYS CA 1 186 CYS CB 1 186 CYS SG parsed_1brv 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 187 HIS N 1 187 HIS CA 1 187 HIS CB 1 187 HIS CG parsed_1brv 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -100.000 . 1 186 CYS C 1 187 HIS N 1 187 HIS CA 1 187 HIS C parsed_1brv 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -100.000 . 1 187 HIS C 1 188 ILE N 1 188 ILE CA 1 188 ILE C parsed_1brv 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 171 VALn CA 1 171 VALn C 1 172 PRO N 1 172 PRO CA parsed_1brv 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 172 PRO CA 1 172 PRO C 1 173 CYS N 1 173 CYS CA parsed_1brv 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 173 CYS CA 1 173 CYS C 1 174 SER N 1 174 SER CA parsed_1brv 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 174 SER CA 1 174 SER C 1 175 THR N 1 175 THR CA parsed_1brv 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 175 THR CA 1 175 THR C 1 176 CYS N 1 176 CYS CA parsed_1brv 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 176 CYS CA 1 176 CYS C 1 177 GLU N 1 177 GLU CA parsed_1brv 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 177 GLU CA 1 177 GLU C 1 178 GLY N 1 178 GLY CA parsed_1brv 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 178 GLY CA 1 178 GLY C 1 179 ASN N 1 179 ASN CA parsed_1brv 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 179 ASN CA 1 179 ASN C 1 180 LEU N 1 180 LEU CA parsed_1brv 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 180 LEU CA 1 180 LEU C 1 181 ALA N 1 181 ALA CA parsed_1brv 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 181 ALA CA 1 181 ALA C 1 182 CYS N 1 182 CYS CA parsed_1brv 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 182 CYS CA 1 182 CYS C 1 183 LEU N 1 183 LEU CA parsed_1brv 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 183 LEU CA 1 183 LEU C 1 184 SER N 1 184 SER CA parsed_1brv 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 184 SER CA 1 184 SER C 1 185 LEU N 1 185 LEU CA parsed_1brv 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 185 LEU CA 1 185 LEU C 1 186 CYS N 1 186 CYS CA parsed_1brv 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 186 CYS CA 1 186 CYS C 1 187 HIS N 1 187 HIS CA parsed_1brv 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 187 HIS CA 1 187 HIS C 1 188 ILE N 1 188 ILE CA parsed_1brv 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 -178.000 . 1 188 ILE CA 1 188 ILE C 1 189 GLU N 1 189 GLU CA parsed_1brv 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 NMR_dihedral 1 1 1 13 parsed_1brv 1
stop_
save_
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