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 |
|
|
33154 |
1hs5   |
4934 | cing | 2-parsed | STAR | dihedral angle | 25 |
data_1hs5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1hs5
_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_1hs5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1hs5
_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 1hs5 "Master copy" parsed_1hs5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1hs5
_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 1hs5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1hs5 1
1 1hs5.mr . . XPLOR/CNS 2 distance NOE simple 895 parsed_1hs5 1
1 1hs5.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 6 parsed_1hs5 1
1 1hs5.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1hs5 1
1 1hs5.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 25 parsed_1hs5 1
1 1hs5.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1hs5 1
1 1hs5.mr . . XPLOR/CNS 7 distance "general distance" simple 0 parsed_1hs5 1
1 1hs5.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1hs5 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1hs5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . A 3 . c A 4 . n A 4 . ca A 4 . c parsed_1hs5 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . A 4 . c A 5 . n A 5 . ca A 5 . c parsed_1hs5 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . A 5 . c A 6 . n A 6 . ca A 6 . c parsed_1hs5 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . A 6 . c A 7 . n A 7 . ca A 7 . c parsed_1hs5 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . A 7 . c A 8 . n A 8 . ca A 8 . c parsed_1hs5 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . A 8 . c A 9 . n A 9 . ca A 9 . c parsed_1hs5 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . A 11 . c A 12 . n A 12 . ca A 12 . c parsed_1hs5 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 12 . c A 13 . n A 13 . ca A 13 . c parsed_1hs5 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 13 . c A 14 . n A 14 . ca A 14 . c parsed_1hs5 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 14 . c A 15 . n A 15 . ca A 15 . c parsed_1hs5 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 15 . c A 16 . n A 16 . ca A 16 . c parsed_1hs5 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 16 . c A 17 . n A 17 . ca A 17 . c parsed_1hs5 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 17 . c A 18 . n A 18 . ca A 18 . c parsed_1hs5 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 18 . c A 19 . n A 19 . ca A 19 . c parsed_1hs5 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 19 . c A 20 . n A 20 . ca A 20 . c parsed_1hs5 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 20 . c A 21 . n A 21 . ca A 21 . c parsed_1hs5 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 21 . c A 22 . n A 22 . ca A 22 . c parsed_1hs5 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 22 . c A 23 . n A 23 . ca A 23 . c parsed_1hs5 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 23 . c A 24 . n A 24 . ca A 24 . c parsed_1hs5 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 24 . c A 25 . n A 25 . ca A 25 . c parsed_1hs5 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 25 . c A 26 . n A 26 . ca A 26 . c parsed_1hs5 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 26 . c A 27 . n A 27 . ca A 27 . c parsed_1hs5 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 27 . c A 28 . n A 28 . ca A 28 . c parsed_1hs5 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 28 . c A 29 . n A 29 . ca A 29 . c parsed_1hs5 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . A 29 . c A 30 . n A 30 . ca A 30 . c parsed_1hs5 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 "! Tyr4" 1 1 1 9 parsed_1hs5 1
2 "! Phe5" 5 1 5 9 parsed_1hs5 1
3 "! Thr6" 9 1 9 9 parsed_1hs5 1
4 "! Leu7" 13 1 13 9 parsed_1hs5 1
5 "! Gln8" 17 1 17 9 parsed_1hs5 1
6 "! Ile9" 21 1 21 9 parsed_1hs5 1
7
;
! Arg10
! Gly11
! Arg12
;
25 1 29 10 parsed_1hs5 1
8 "! Glu13" 33 1 33 10 parsed_1hs5 1
9 "! Arg14" 37 1 37 10 parsed_1hs5 1
10 "! Phe15" 41 1 41 10 parsed_1hs5 1
11 "! Glu16" 47 1 47 10 parsed_1hs5 1
12 "! Gln17" 51 1 51 10 parsed_1hs5 1
13 "! Phe18" 55 1 55 10 parsed_1hs5 1
14 "! Arg19" 61 1 61 10 parsed_1hs5 1
15 "! Glu20" 65 1 65 10 parsed_1hs5 1
16 "! Arg21" 69 1 69 10 parsed_1hs5 1
17 "! Asn22" 73 1 73 10 parsed_1hs5 1
18 "! Glu23" 77 1 77 10 parsed_1hs5 1
19 "! Ala24" 81 1 81 10 parsed_1hs5 1
20 "! Leu25" 85 1 85 10 parsed_1hs5 1
21 "! Glu26" 89 1 89 10 parsed_1hs5 1
22 "! Leu27" 93 1 93 10 parsed_1hs5 1
23 "! Lys28" 97 1 97 10 parsed_1hs5 1
24 "! Asp29" 102 1 102 10 parsed_1hs5 1
25 "! Ala30" 108 1 108 10 parsed_1hs5 1
26 "! Gln54" 112 1 112 10 parsed_1hs5 1
stop_
save_
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