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 |
|
|
557450 |
2m20   |
18888 | cing | 2-parsed | STAR | dihedral angle | 26 |
data_2m20_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m20
_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_2m20 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m20
_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 2m20 "Master copy" parsed_2m20
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m20
_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 2m20.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m20 1
1 2m20.mr . . XPLOR/CNS 2 distance NOE simple 38 parsed_2m20 1
1 2m20.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 184 parsed_2m20 1
1 2m20.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_2m20 1
1 2m20.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2m20 1
1 2m20.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2m20 1
1 2m20.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m20 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m20
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 5 . N . 5 . CA . 5 . CB . 5 . CG1 parsed_2m20 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 7 . N . 7 . CA . 7 . CB . 7 . CG1 parsed_2m20 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 18 . N . 18 . CA . 18 . CB . 18 . CG1 parsed_2m20 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 19 . N . 19 . CA . 19 . CB . 19 . CG1 parsed_2m20 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 23 . N . 23 . CA . 23 . CB . 23 . CG1 parsed_2m20 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 26 . N . 26 . CA . 26 . CB . 26 . CG1 parsed_2m20 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 27 . N . 27 . CA . 27 . CB . 27 . CG1 parsed_2m20 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 32 . N . 32 . CA . 32 . CB . 32 . CG1 parsed_2m20 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 33 . N . 33 . CA . 33 . CB . 33 . CG1 parsed_2m20 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 37 . N . 37 . CA . 37 . CB . 37 . CG1 parsed_2m20 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 48 . N . 48 . CA . 48 . CB . 48 . CG1 parsed_2m20 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 52 . N . 52 . CA . 52 . CB . 52 . CG1 parsed_2m20 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 58 . N . 58 . CA . 58 . CB . 58 . CG1 parsed_2m20 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 65 . N . 65 . CA . 65 . CB . 65 . CG1 parsed_2m20 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 67 . N . 67 . CA . 67 . CB . 67 . CG1 parsed_2m20 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 78 . N . 78 . CA . 78 . CB . 78 . CG1 parsed_2m20 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 79 . N . 79 . CA . 79 . CB . 79 . CG1 parsed_2m20 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 83 . N . 83 . CA . 83 . CB . 83 . CG1 parsed_2m20 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 86 . N . 86 . CA . 86 . CB . 86 . CG1 parsed_2m20 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 87 . N . 87 . CA . 87 . CB . 87 . CG1 parsed_2m20 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 92 . N . 92 . CA . 92 . CB . 92 . CG1 parsed_2m20 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 93 . N . 93 . CA . 93 . CB . 93 . CG1 parsed_2m20 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 97 . N . 97 . CA . 97 . CB . 97 . CG1 parsed_2m20 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 108 . N . 108 . CA . 108 . CB . 108 . CG1 parsed_2m20 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 112 . N . 112 . CA . 112 . CB . 112 . CG1 parsed_2m20 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 118 . N . 118 . CA . 118 . CB . 118 . CG1 parsed_2m20 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
;
! { Dihedral Angle Restraints }
! chi1 N(i)-CA(i)-CB(i)-CG(i)
I5
;
1 1 4 5 parsed_2m20 1
2 T7 11 1 11 5 parsed_2m20 1
3 V18 18 1 18 6 parsed_2m20 1
4 V19 25 1 25 6 parsed_2m20 1
5 I23 32 1 32 6 parsed_2m20 1
6 F26 39 1 39 6 parsed_2m20 1
7 I27 46 1 46 6 parsed_2m20 1
8 I32 53 1 53 6 parsed_2m20 1
9 V33 60 1 60 6 parsed_2m20 1
10 T37 67 1 67 6 parsed_2m20 1
11 V48 75 1 75 6 parsed_2m20 1
12 T52 81 1 81 6 parsed_2m20 1
13 L58 88 1 88 6 parsed_2m20 1
14
;
! { Dihedral Angle Restraints }
! chi1 N(i)-CA(i)-CB(i)-CG(i)
I5
;
96 1 98 5 parsed_2m20 1
15 T7 105 1 105 5 parsed_2m20 1
16 V18 113 1 113 6 parsed_2m20 1
17 V19 120 1 120 6 parsed_2m20 1
18 I23 126 1 126 6 parsed_2m20 1
19 F26 133 1 133 6 parsed_2m20 1
20 I27 140 1 140 6 parsed_2m20 1
21 I32 147 1 147 6 parsed_2m20 1
22 V33 154 1 154 6 parsed_2m20 1
23 T37 161 1 161 6 parsed_2m20 1
24 V48 169 1 169 6 parsed_2m20 1
25 T52 175 1 175 6 parsed_2m20 1
26 L58 182 1 182 6 parsed_2m20 1
stop_
save_
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