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 |
|
|
565427 |
2ma2   |
19319 | cing | 2-parsed | STAR | dihedral angle | 15 |
data_2ma2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ma2
_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_2ma2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ma2
_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 2ma2 "Master copy" parsed_2ma2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ma2
_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 2ma2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ma2 1
1 2ma2.mr . . XPLOR/CNS 2 distance NOE simple 652 parsed_2ma2 1
1 2ma2.mr . . XPLOR/CNS 3 distance "general distance" simple 8 parsed_2ma2 1
1 2ma2.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 54 parsed_2ma2 1
1 2ma2.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 126 parsed_2ma2 1
1 2ma2.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_2ma2 1
1 2ma2.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ma2 1
1 2ma2.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ma2 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ma2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 418 . N . 418 . CA . 418 . CB . 418 . CG1 parsed_2ma2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 423 . N . 423 . CA . 423 . CB . 423 . CG1 parsed_2ma2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 424 . N . 424 . CA . 424 . CB . 424 . CG1 parsed_2ma2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 427 . N . 427 . CA . 427 . CB . 427 . CG1 parsed_2ma2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 431 . N . 431 . CA . 431 . CB . 431 . CG1 parsed_2ma2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 434 . N . 434 . CA . 434 . CB . 434 . CG1 parsed_2ma2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 439 . N . 439 . CA . 439 . CB . 439 . CG1 parsed_2ma2 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 446 . N . 446 . CA . 446 . CB . 446 . CG1 parsed_2ma2 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 453 . N . 453 . CA . 453 . CB . 453 . CG1 parsed_2ma2 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 454 . N . 454 . CA . 454 . CB . 454 . CG1 parsed_2ma2 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 460 . N . 460 . CA . 460 . CB . 460 . CG1 parsed_2ma2 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 471 . N . 471 . CA . 471 . CB . 471 . CG1 parsed_2ma2 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 475 . N . 475 . CA . 475 . CB . 475 . CG1 parsed_2ma2 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 481 . N . 481 . CA . 481 . CB . 481 . CG1 parsed_2ma2 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 490 . N . 490 . CA . 490 . CB . 490 . CG1 parsed_2ma2 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)
L418
;
1 1 3 8 parsed_2ma2 1
2 V423 10 1 10 8 parsed_2ma2 1
3 V424 17 1 17 8 parsed_2ma2 1
4 I427 24 1 24 8 parsed_2ma2 1
5 V431 31 1 31 8 parsed_2ma2 1
6 V434 38 1 38 8 parsed_2ma2 1
7 D439 45 1 45 8 parsed_2ma2 1
8 I446 52 1 52 8 parsed_2ma2 1
9 I453 59 1 59 8 parsed_2ma2 1
10 I454 66 1 66 8 parsed_2ma2 1
11 Y460 73 1 73 8 parsed_2ma2 1
12 Q471 80 1 80 8 parsed_2ma2 1
13 I475 87 1 87 8 parsed_2ma2 1
14 V481 94 1 94 8 parsed_2ma2 1
15 V490 101 1 101 8 parsed_2ma2 1
stop_
save_
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