Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
586062 | 2mjc RC | 19716 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_2mjc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mjc
_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_2mjc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mjc
_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 2mjc "Master copy" parsed_2mjc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mjc
_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 2mjc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mjc 1
1 2mjc.mr . . XPLOR/CNS 2 distance NOE ambi 542 parsed_2mjc 1
1 2mjc.mr . . XPLOR/CNS 3 distance "general distance" simple 13 parsed_2mjc 1
1 2mjc.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_2mjc 1
1 2mjc.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mjc 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mjc
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 13 . N . 13 . CA . 13 . CB . 13 . SG parsed_2mjc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 25 . N . 25 . CA . 25 . CB . 25 . SG parsed_2mjc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_2mjc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_2mjc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 24 . N . 24 . CA . 24 . CB . 24 . CG parsed_2mjc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 29 . N . 29 . CA . 29 . CB . 29 . CG parsed_2mjc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_2mjc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_2mjc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2mjc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 150.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2mjc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 150.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_2mjc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 150.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_2mjc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2mjc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mjc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2mjc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2mjc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2mjc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mjc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2mjc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2mjc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mjc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2mjc 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 "chi 1 180" 1 1 1 12 parsed_2mjc 1
2 "chi 1 plus 60" 7 1 7 17 parsed_2mjc 1
3 "chi 1 minus 60" 17 1 17 18 parsed_2mjc 1
4 "chi 1 cannot be 180, must be either +60 or -60, because there is a peak in the HNHB" 25 1 25 86 parsed_2mjc 1
5 "positive phi based on hn-ha noesy and jhnha" 35 1 35 46 parsed_2mjc 1
6
;
jhnha of 7.5 Hz, strong HNHA NOE
backbone dihedrals more than 9.2 Hz
;
37 79 39 38 parsed_2mjc 1
7 "jhnha of 9.5 Hz" 41 78 41 95 parsed_2mjc 1
8 "jhnha of 10.6 Hz" 43 78 43 96 parsed_2mjc 1
9 "jhnha of 9.7 Hz" 45 78 45 95 parsed_2mjc 1
10
;
jhnha of 10.0 Hz
backbone dihedrals between 8.6-9.2 Hz
;
47 78 49 40 parsed_2mjc 1
11 "jhnha of 9.1 Hz" 51 78 51 95 parsed_2mjc 1
12 "jhnha of 8.6 Hz" 53 78 53 95 parsed_2mjc 1
13
;
jhnha of 8.8 Hz
backbone dihedrals less than 4.6 Hz
;
55 78 57 38 parsed_2mjc 1
14 "jhnha of 4.6 Hz" 59 77 59 94 parsed_2mjc 1
15 "jhnha of 4.1 Hz" 61 77 61 94 parsed_2mjc 1
stop_
save_