Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
639068 | 6mk8 RC | 30524 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_6mk8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6mk8
_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_6mk8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6mk8
_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 6mk8 "Master copy" parsed_6mk8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6mk8
_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 6mk8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mk8 1
1 6mk8.mr . . XPLOR/CNS 2 distance NOE simple 83 parsed_6mk8 1
1 6mk8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_6mk8 1
1 6mk8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mk8 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6mk8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -49.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6mk8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -14.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6mk8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -51.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6mk8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -30.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6mk8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6mk8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -24.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6mk8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6mk8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6mk8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6mk8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6mk8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6mk8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6mk8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6mk8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6mk8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6mk8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -30.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6mk8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -56.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6mk8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6mk8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6mk8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6mk8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -61.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6mk8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -16.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6mk8 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
;
THIS PART CONTAINS THE ANGLE RESTRAINTS DERIVED FROM A SET OF HETERONUCLEAR CHEMICAL CHIFTS OF DFT503 BOUND TO SDS MICEES
@ END_XPLR_NOE_FILE
! phi and phi angles for G503sds #Gus Oct 27 2014
! 2
;
1 1 4 5 parsed_6mk8 1
2 "! 3" 8 72 10 5 parsed_6mk8 1
3 "! 4" 14 72 15 5 parsed_6mk8 1
4 "! 5" 19 72 21 5 parsed_6mk8 1
5 "! 6" 25 72 27 11 parsed_6mk8 1
6 "! 7" 31 72 32 5 parsed_6mk8 1
7 "! 8" 36 72 37 5 parsed_6mk8 1
8 "! 9" 41 72 42 5 parsed_6mk8 1
9 "! 10" 46 72 47 6 parsed_6mk8 1
10 "! 11" 51 74 52 6 parsed_6mk8 1
11 "! 12" 56 74 57 6 parsed_6mk8 1
12
;
END
THE END of DFT503 structural restraints
;
61 74 65 41 parsed_6mk8 1
stop_
save_