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 |
|
|
31263 |
1e10   |
cing | 2-parsed | STAR | dihedral angle | 12 |
data_1e10_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1e10
_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_1e10 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1e10
_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 1e10 "Master copy" parsed_1e10
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1e10
_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 1e10.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e10 1
1 1e10.mr . . XPLOR/CNS 2 distance NOE simple 1258 parsed_1e10 1
1 1e10.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 92 parsed_1e10 1
1 1e10.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_1e10 1
1 1e10.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_1e10 1
1 1e10.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e10 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1e10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 110 . . 63 . N . 63 . CA . 63 . CB . 63 . SG parsed_1e10 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . . 68 . N . 68 . CA . 68 . CB . 68 . SG parsed_1e10 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 100 . . 71 . N . 71 . CA . 71 . CB . 71 . SG parsed_1e10 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 100 . . 102 . N . 102 . CA . 102 . CB . 102 . SG parsed_1e10 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 63 . CA . 63 . CB . 63 . SG FE_S 1 . FE1 parsed_1e10 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 68 . CA . 68 . CB . 68 . SG FE_S 1 . FE1 parsed_1e10 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 71 . CA . 71 . CB . 71 . SG FE_S 1 . FE2 parsed_1e10 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 102 . CA . 102 . CB . 102 . SG FE_S 1 . FE2 parsed_1e10 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 140 . . 63 . SG FE_S 1 . FE1 FE_S 1 . S1 FE_S 1 . FE2 parsed_1e10 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 68 . SG FE_S 1 . FE1 FE_S 1 . S1 FE_S 1 . FE2 parsed_1e10 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 71 . SG FE_S 1 . FE2 FE_S 1 . S2 FE_S 1 . FE1 parsed_1e10 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 150 . . 102 . SG FE_S 1 . FE2 FE_S 1 . S2 FE_S 1 . FE1 parsed_1e10 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 to maintain the geometry of the
cluster vicinity
;
1 1 2 19 parsed_1e10 1
stop_
save_
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