NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
35046 |
1kvg   |
cing | 2-parsed | STAR | dihedral angle | 34 |
data_1kvg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kvg
_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_1kvg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kvg
_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 1kvg "Master copy" parsed_1kvg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kvg
_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 1kvg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kvg 1
1 1kvg.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1kvg 1
1 1kvg.mr . . DISCOVER 3 distance NOE simple 73 parsed_1kvg 1
1 1kvg.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1kvg 1
1 1kvg.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kvg 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1kvg
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 1 SERN C 1 2 CYS N 1 2 CYS CA 1 2 CYS C parsed_1kvg 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 2 CYS C 1 3 HIS N 1 3 HIS CA 1 3 HIS C parsed_1kvg 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . 1 3 HIS C 1 4 PHE N 1 4 PHE CA 1 4 PHE C parsed_1kvg 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 6 PRO C 1 7 LEU N 1 7 LEU CA 1 7 LEU C parsed_1kvg 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 120.0 . 1 7 LEU C 1 8 GLY N 1 8 GLY CA 1 8 GLY C parsed_1kvg 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -40.0 . 1 8 GLY C 1 9 TRP N 1 9 TRP CA 1 9 TRP C parsed_1kvg 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 9 TRP C 1 10 VAL N 1 10 VAL CA 1 10 VAL C parsed_1kvg 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 10 VAL C 1 11 CYS N 1 11 CYS CA 1 11 CYS C parsed_1kvg 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 11 CYS C 1 12 LYS N 1 12 LYS CA 1 12 LYS C parsed_1kvg 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 2 CYS N 1 2 CYS CA 1 2 CYS CB 1 2 CYS SG parsed_1kvg 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 7 LEU N 1 7 LEU CA 1 7 LEU CB 1 7 LEU CG parsed_1kvg 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG parsed_1kvg 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -30.0 . 1 4 PHE N 1 4 PHE CA 1 4 PHE CB 1 4 PHE CG parsed_1kvg 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 1 SERN CA 1 1 SERN C 1 2 CYS N 1 2 CYS CA parsed_1kvg 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 1 SERN O 1 1 SERN C 1 2 CYS N 1 2 CYS HN parsed_1kvg 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 2 CYS CA 1 2 CYS C 1 3 HIS N 1 3 HIS CA parsed_1kvg 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 2 CYS O 1 2 CYS C 1 3 HIS N 1 3 HIS HN parsed_1kvg 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 3 HIS CA 1 3 HIS C 1 4 PHE N 1 4 PHE CA parsed_1kvg 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 3 HIS O 1 3 HIS C 1 4 PHE N 1 4 PHE HN parsed_1kvg 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 4 PHE CA 1 4 PHE C 1 5 GLY N 1 5 GLY CA parsed_1kvg 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 4 PHE O 1 4 PHE C 1 5 GLY N 1 5 GLY HN parsed_1kvg 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 5 GLY CA 1 5 GLY C 1 6 PRO N 1 6 PRO CA parsed_1kvg 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 6 PRO CA 1 6 PRO C 1 7 LEU N 1 7 LEU CA parsed_1kvg 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 6 PRO O 1 6 PRO C 1 7 LEU N 1 7 LEU HN parsed_1kvg 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 7 LEU CA 1 7 LEU C 1 8 GLY N 1 8 GLY CA parsed_1kvg 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 7 LEU O 1 7 LEU C 1 8 GLY N 1 8 GLY HN parsed_1kvg 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 8 GLY CA 1 8 GLY C 1 9 TRP N 1 9 TRP CA parsed_1kvg 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 8 GLY O 1 8 GLY C 1 9 TRP N 1 9 TRP HN parsed_1kvg 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 9 TRP CA 1 9 TRP C 1 10 VAL N 1 10 VAL CA parsed_1kvg 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 9 TRP O 1 9 TRP C 1 10 VAL N 1 10 VAL HN parsed_1kvg 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 10 VAL CA 1 10 VAL C 1 11 CYS N 1 11 CYS CA parsed_1kvg 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 10 VAL O 1 10 VAL C 1 11 CYS N 1 11 CYS HN parsed_1kvg 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 11 CYS CA 1 11 CYS C 1 12 LYS N 1 12 LYS CA parsed_1kvg 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 11 CYS O 1 11 CYS C 1 12 LYS N 1 12 LYS HN parsed_1kvg 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
phi based on 3J(HN-HA)
;
1 1 2 24 parsed_1kvg 1
2 "chi-1 based on 3J(HA-HB)" 12 1 13 26 parsed_1kvg 1
3 "peptide bond planarity" 18 1 19 24 parsed_1kvg 1
stop_
save_
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