NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
33018 |
1ho0   |
cing | recoord | 2-parsed | STAR | dihedral angle | 39 |
data_1ho0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ho0
_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_1ho0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ho0
_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 1ho0 "Master copy" parsed_1ho0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ho0
_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 1ho0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ho0 1
1 1ho0.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1ho0 1
1 1ho0.mr . . DISCOVER 3 distance "hydrogen bond" simple 4 parsed_1ho0 1
1 1ho0.mr . . DISCOVER 4 distance NOE simple 243 parsed_1ho0 1
1 1ho0.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ho0 1
1 1ho0.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_1ho0 1
1 1ho0.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ho0 1
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ho0
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 1 PHEN CA 1 1 PHEN C 1 2 VAL N 1 2 VAL CA parsed_1ho0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 2 VAL CA 1 2 VAL C 1 3 ASN N 1 3 ASN CA parsed_1ho0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 3 ASN CA 1 3 ASN C 1 4 GLN N 1 4 GLN CA parsed_1ho0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 4 GLN CA 1 4 GLN C 1 5 HIS+ N 1 5 HIS+ CA parsed_1ho0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 5 HIS+ CA 1 5 HIS+ C 1 6 LEU N 1 6 LEU CA parsed_1ho0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 6 LEU CA 1 6 LEU C 1 7 SER N 1 7 SER CA parsed_1ho0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 7 SER CA 1 7 SER C 1 8 GLY N 1 8 GLY CA parsed_1ho0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 8 GLY CA 1 8 GLY C 1 9 SER N 1 9 SER CA parsed_1ho0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 9 SER CA 1 9 SER C 1 10 HIS+ N 1 10 HIS+ CA parsed_1ho0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 10 HIS+ CA 1 10 HIS+ C 1 11 LEU N 1 11 LEU CA parsed_1ho0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 11 LEU CA 1 11 LEU C 1 12 VAL N 1 12 VAL CA parsed_1ho0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 12 VAL CA 1 12 VAL C 1 13 GLU N 1 13 GLU CA parsed_1ho0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 13 GLU CA 1 13 GLU C 1 14 ALA N 1 14 ALA CA parsed_1ho0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 14 ALA CA 1 14 ALA C 1 15 LEU N 1 15 LEU CA parsed_1ho0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 15 LEU CA 1 15 LEU C 1 16 TYR N 1 16 TYR CA parsed_1ho0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 16 TYR CA 1 16 TYR C 1 17 LEU N 1 17 LEU CA parsed_1ho0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 17 LEU CA 1 17 LEU C 1 18 VAL N 1 18 VAL CA parsed_1ho0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 18 VAL CA 1 18 VAL C 1 19 SER N 1 19 SER CA parsed_1ho0 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 19 SER CA 1 19 SER C 1 20 GLY N 1 20 GLY CA parsed_1ho0 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 20 GLY CA 1 20 GLY C 1 21 GLU N 1 21 GLU CA parsed_1ho0 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 21 GLU CA 1 21 GLU C 1 22 ARG+ N 1 22 ARG+ CA parsed_1ho0 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 22 ARG+ CA 1 22 ARG+ C 1 23 GLY N 1 23 GLY CA parsed_1ho0 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 23 GLY CA 1 23 GLY C 1 24 PHE N 1 24 PHE CA parsed_1ho0 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 24 PHE CA 1 24 PHE C 1 25 PHE N 1 25 PHE CA parsed_1ho0 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 25 PHE CA 1 25 PHE C 1 26 TYR N 1 26 TYR CA parsed_1ho0 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 26 TYR CA 1 26 TYR C 1 27 THR N 1 27 THR CA parsed_1ho0 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 28 PRO CA 1 28 PRO C 1 29 LYS+ N 1 29 LYS+ CA parsed_1ho0 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 29 LYS+ CA 1 29 LYS+ C 1 30 ALAC N 1 30 ALAC CA parsed_1ho0 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 8 GLY C 1 9 SER N 1 9 SER CA 1 9 SER C parsed_1ho0 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 9 SER C 1 10 HIS+ N 1 10 HIS+ CA 1 10 HIS+ C parsed_1ho0 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 10 HIS+ C 1 11 LEU N 1 11 LEU CA 1 11 LEU C parsed_1ho0 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 11 LEU C 1 12 VAL N 1 12 VAL CA 1 12 VAL C parsed_1ho0 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 12 VAL C 1 13 GLU N 1 13 GLU CA 1 13 GLU C parsed_1ho0 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 13 GLU C 1 14 ALA N 1 14 ALA CA 1 14 ALA C parsed_1ho0 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 14 ALA C 1 15 LEU N 1 15 LEU CA 1 15 LEU C parsed_1ho0 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 15 LEU C 1 16 TYR N 1 16 TYR CA 1 16 TYR C parsed_1ho0 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 16 TYR C 1 17 LEU N 1 17 LEU CA 1 17 LEU C parsed_1ho0 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 17 LEU C 1 18 VAL N 1 18 VAL CA 1 18 VAL C parsed_1ho0 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 18 VAL C 1 19 SER N 1 19 SER CA 1 19 SER C parsed_1ho0 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_1ho0 1
stop_
save_
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