NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
34875 |
1kmr   |
5277 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_1kmr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kmr
_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_1kmr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kmr
_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 1kmr "Master copy" parsed_1kmr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kmr
_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 1kmr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kmr 1
1 1kmr.mr . . DISCOVER 2 distance NOE simple 275 parsed_1kmr 1
1 1kmr.mr . . DISCOVER 3 distance "hydrogen bond" simple 6 parsed_1kmr 1
1 1kmr.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1kmr 1
1 1kmr.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kmr 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1kmr
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A11 CYHN CA 1 A11 CYHN C 1 A12 ARG+ N 1 A12 ARG+ CA parsed_1kmr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A12 ARG+ CA 1 A12 ARG+ C 1 A13 ALA N 1 A13 ALA CA parsed_1kmr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A13 ALA CA 1 A13 ALA C 1 A14 LEU N 1 A14 LEU CA parsed_1kmr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A14 LEU CA 1 A14 LEU C 1 A15 ILE N 1 A15 ILE CA parsed_1kmr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A15 ILE CA 1 A15 ILE C 1 A16 LYS+ N 1 A16 LYS+ CA parsed_1kmr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A16 LYS+ CA 1 A16 LYS+ C 1 A17 ARG+ N 1 A17 ARG+ CA parsed_1kmr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A17 ARG+ CA 1 A17 ARG+ C 1 A18 ILE N 1 A18 ILE CA parsed_1kmr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A18 ILE CA 1 A18 ILE C 1 A19 GLN N 1 A19 GLN CA parsed_1kmr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A19 GLN CA 1 A19 GLN C 1 A20 ALA N 1 A20 ALA CA parsed_1kmr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A20 ALA CA 1 A20 ALA C 1 A21 MET N 1 A21 MET CA parsed_1kmr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A21 MET CA 1 A21 MET C 1 A22 ILE N 1 A22 ILE CA parsed_1kmr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A22 ILE CA 1 A22 ILE C 1 A23 PRO N 1 A23 PRO CA parsed_1kmr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A23 PRO CA 1 A23 PRO C 1 A24 LYS+ N 1 A24 LYS+ CA parsed_1kmr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 -170 . 1 A24 LYS+ CA 1 A24 LYS+ C 1 A25 GLYC N 1 A25 GLYC CA parsed_1kmr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A12 ARG+ C 1 A13 ALA N 1 A13 ALA CA 1 A13 ALA C parsed_1kmr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A13 ALA C 1 A14 LEU N 1 A14 LEU CA 1 A14 LEU C parsed_1kmr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A14 LEU C 1 A15 ILE N 1 A15 ILE CA 1 A15 ILE C parsed_1kmr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A15 ILE C 1 A16 LYS+ N 1 A16 LYS+ CA 1 A16 LYS+ C parsed_1kmr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A16 LYS+ C 1 A17 ARG+ N 1 A17 ARG+ CA 1 A17 ARG+ C parsed_1kmr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A17 ARG+ C 1 A18 ILE N 1 A18 ILE CA 1 A18 ILE C parsed_1kmr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A18 ILE C 1 A19 GLN N 1 A19 GLN CA 1 A19 GLN C parsed_1kmr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A19 GLN C 1 A20 ALA N 1 A20 ALA CA 1 A20 ALA C parsed_1kmr 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A20 ALA C 1 A21 MET N 1 A21 MET CA 1 A21 MET C parsed_1kmr 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 A21 MET C 1 A22 ILE N 1 A22 ILE CA 1 A22 ILE C parsed_1kmr 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A13 ALA N 1 A13 ALA CA 1 A13 ALA C 1 A14 LEU N parsed_1kmr 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A14 LEU N 1 A14 LEU CA 1 A14 LEU C 1 A15 ILE N parsed_1kmr 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A15 ILE N 1 A15 ILE CA 1 A15 ILE C 1 A16 LYS+ N parsed_1kmr 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A16 LYS+ N 1 A16 LYS+ CA 1 A16 LYS+ C 1 A17 ARG+ N parsed_1kmr 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A17 ARG+ N 1 A17 ARG+ CA 1 A17 ARG+ C 1 A18 ILE N parsed_1kmr 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A18 ILE N 1 A18 ILE CA 1 A18 ILE C 1 A19 GLN N parsed_1kmr 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A19 GLN N 1 A19 GLN CA 1 A19 GLN C 1 A20 ALA N parsed_1kmr 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A20 ALA N 1 A20 ALA CA 1 A20 ALA C 1 A21 MET N parsed_1kmr 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A21 MET N 1 A21 MET CA 1 A21 MET C 1 A22 ILE N parsed_1kmr 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . 1 A22 ILE N 1 A22 ILE CA 1 A22 ILE C 1 A23 PRO N parsed_1kmr 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
;
Conservation of Peptide bond planarity
NMR_dihedral
;
1 1 2 21 parsed_1kmr 1
2
;
Constrain to alpha helix dihedrals
Phi: C'-N-CA-C' ~ -60
;
17 1 19 27 parsed_1kmr 1
3 "Psi: N-CA-C'-N" 30 1 30 22 parsed_1kmr 1
stop_
save_
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