NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
584810 |
2mbz   |
19421 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_2mbz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mbz
_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_2mbz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mbz
_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 2mbz "Master copy" parsed_2mbz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mbz
_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 2mbz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mbz 1
1 2mbz.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 256 parsed_2mbz 1
1 2mbz.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 120 parsed_2mbz 1
1 2mbz.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mbz 1
1 2mbz.mr . . XPLOR/CNS 5 distance NOE simple 1727 parsed_2mbz 1
1 2mbz.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_2mbz 1
1 2mbz.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mbz 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mbz
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg1 parsed_2mbz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 65 . n . 65 . ca . 65 . cb . 65 . cg1 parsed_2mbz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 139 . n . 139 . ca . 139 . cb . 139 . cg1 parsed_2mbz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg1 parsed_2mbz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 119 . n . 119 . ca . 119 . cb . 119 . cg1 parsed_2mbz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 134 . n . 134 . ca . 134 . cb . 134 . cg1 parsed_2mbz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . n . 5 . ca . 5 . cb . 5 . og1 parsed_2mbz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 32 . n . 32 . ca . 32 . cb . 32 . og1 parsed_2mbz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 42 . n . 42 . ca . 42 . cb . 42 . og1 parsed_2mbz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 46 . n . 46 . ca . 46 . cb . 46 . og1 parsed_2mbz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 61 . n . 61 . ca . 61 . cb . 61 . og1 parsed_2mbz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 103 . n . 103 . ca . 103 . cb . 103 . og1 parsed_2mbz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 10 . n . 10 . ca . 10 . cb . 10 . CG parsed_2mbz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 16 . n . 16 . ca . 16 . cb . 16 . CG parsed_2mbz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 35 . n . 35 . ca . 35 . cb . 35 . CG parsed_2mbz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 45 . n . 45 . ca . 45 . cb . 45 . CG parsed_2mbz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 64 . n . 64 . ca . 64 . cb . 64 . CG parsed_2mbz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 86 . n . 86 . ca . 86 . cb . 86 . CG parsed_2mbz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 99 . n . 99 . ca . 99 . cb . 99 . CG parsed_2mbz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 102 . n . 102 . ca . 102 . cb . 102 . CG parsed_2mbz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 129 . n . 129 . ca . 129 . cb . 129 . CG parsed_2mbz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 141 . n . 141 . ca . 141 . cb . 141 . CG parsed_2mbz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 10 . ca . 10 . cb . 10 . cg . 10 . cd1 parsed_2mbz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 13 . ca . 13 . cb . 13 . cg . 13 . cd1 parsed_2mbz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 16 . ca . 16 . cb . 16 . cg . 16 . cd1 parsed_2mbz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 21 . ca . 21 . cb . 21 . cg . 21 . cd1 parsed_2mbz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 35 . ca . 35 . cb . 35 . cg . 35 . cd1 parsed_2mbz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 45 . ca . 45 . cb . 45 . cg . 45 . cd1 parsed_2mbz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 64 . ca . 64 . cb . 64 . cg . 64 . cd1 parsed_2mbz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 95 . ca . 95 . cb . 95 . cg . 95 . cd1 parsed_2mbz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 99 . ca . 99 . cb . 99 . cg . 99 . cd1 parsed_2mbz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 109 . ca . 109 . cb . 109 . cg . 109 . cd1 parsed_2mbz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 115 . ca . 115 . cb . 115 . cg . 115 . cd1 parsed_2mbz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 130 . . 129 . ca . 129 . cb . 129 . cg . 129 . cd1 parsed_2mbz 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 "chi1 Val" 1 1 1 11 parsed_2mbz 1
2 "chi1 Ile" 8 1 8 12 parsed_2mbz 1
3 "chi1 Thr" 15 1 15 11 parsed_2mbz 1
4 ??? 25 71 25 75 parsed_2mbz 1
5
;
chi1 Phe, Tyr, Trp, His
chi1 hncocg_aro hncg_aro
;
28 1 29 27 parsed_2mbz 1
6
;
chi2 aromatics not experimental
prevents the aromatics to be planar with backbone
;
50 1 51 68 parsed_2mbz 1
stop_
save_
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