Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
566930 | 2mcc RC | 19435 | cing | 2-parsed | STAR | dihedral angle | 40 |
data_2mcc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mcc
_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_2mcc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mcc
_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 2mcc "Master copy" parsed_2mcc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mcc
_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 2mcc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mcc 1
1 2mcc.mr . . XPLOR/CNS 2 distance NOE ambi 25 parsed_2mcc 1
1 2mcc.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_2mcc 1
1 2mcc.mr . . XPLOR/CNS 4 planarity "Not applicable" "Not applicable" 0 parsed_2mcc 1
1 2mcc.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2mcc 1
1 2mcc.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mcc 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mcc
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C69 . 23 . N15 . 23 . Ru3 . 23 . N21 parsed_2mcc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C65 . 23 . N15 . 23 . Ru3 . 23 . N21 parsed_2mcc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 95.0 . . 23 . N15 . 23 . Ru3 . 23 . N21 . 23 . C87 parsed_2mcc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 23 . N15 . 23 . Ru3 . 23 . N21 . 23 . C91 parsed_2mcc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C71 . 23 . N17 . 23 . Ru3 . 23 . N21 parsed_2mcc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C75 . 23 . N17 . 23 . Ru3 . 23 . N21 parsed_2mcc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 15.0 . . 23 . N17 . 23 . Ru3 . 23 . N21 . 23 . C87 parsed_2mcc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 23 . N17 . 23 . Ru3 . 23 . N21 . 23 . C91 parsed_2mcc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C69 . 23 . N15 . 23 . Ru3 . 23 . N20 parsed_2mcc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C65 . 23 . N15 . 23 . Ru3 . 23 . N20 parsed_2mcc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 15.0 . . 23 . N15 . 23 . Ru3 . 23 . N20 . 23 . C82 parsed_2mcc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 23 . N15 . 23 . Ru3 . 23 . N20 . 23 . C86 parsed_2mcc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 95.0 . . 23 . C71 . 23 . N17 . 23 . Ru3 . 23 . N20 parsed_2mcc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 23 . C75 . 23 . N17 . 23 . Ru3 . 23 . N20 parsed_2mcc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 95.0 . . 23 . N17 . 23 . Ru3 . 23 . N20 . 23 . C82 parsed_2mcc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 23 . N17 . 23 . Ru3 . 23 . N20 . 23 . C86 parsed_2mcc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 95.0 . . 23 . N22 . 23 . Ru3 . 23 . N19 . 23 . C77 parsed_2mcc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 23 . N22 . 23 . Ru3 . 23 . N19 . 23 . C81 parsed_2mcc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C92 . 23 . N22 . 23 . Ru3 . 23 . N19 parsed_2mcc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C96 . 23 . N22 . 23 . Ru3 . 23 . N19 parsed_2mcc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C103 . 23 . N24 . 23 . Ru4 . 23 . N28 parsed_2mcc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C107 . 23 . N24 . 23 . Ru4 . 23 . N28 parsed_2mcc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 95.0 . . 23 . N24 . 23 . Ru4 . 23 . N28 . 23 . C124 parsed_2mcc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 23 . N24 . 23 . Ru4 . 23 . N28 . 23 . C128 parsed_2mcc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C97 . 23 . N23 . 23 . Ru4 . 23 . N28 parsed_2mcc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C101 . 23 . N23 . 23 . Ru4 . 23 . N28 parsed_2mcc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 15.0 . . 23 . N23 . 23 . Ru4 . 23 . N28 . 23 . C124 parsed_2mcc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 23 . N23 . 23 . Ru4 . 23 . N28 . 23 . C128 parsed_2mcc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -65.0 . . 23 . C103 . 23 . N24 . 23 . Ru4 . 23 . N26 parsed_2mcc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 115.0 . . 23 . C107 . 23 . N24 . 23 . Ru4 . 23 . N26 parsed_2mcc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 15.0 . . 23 . N24 . 23 . Ru4 . 23 . N26 . 23 . C114 parsed_2mcc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 23 . N24 . 23 . Ru4 . 23 . N26 . 23 . C118 parsed_2mcc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C97 . 23 . N23 . 23 . Ru4 . 23 . N26 parsed_2mcc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C101 . 23 . N23 . 23 . Ru4 . 23 . N26 parsed_2mcc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . N23 . 23 . Ru4 . 23 . N26 . 23 . C114 parsed_2mcc 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . N23 . 23 . Ru4 . 23 . N26 . 23 . C118 parsed_2mcc 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 95.0 . . 23 . N25 . 23 . Ru4 . 23 . N27 . 23 . C119 parsed_2mcc 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 23 . N25 . 23 . Ru4 . 23 . N27 . 23 . C123 parsed_2mcc 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 105.0 . . 23 . C109 . 23 . N25 . 23 . Ru4 . 23 . N27 parsed_2mcc 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 23 . C113 . 23 . N25 . 23 . Ru4 . 23 . N27 parsed_2mcc 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 "start of ligand dihedrals" 2 77 2 103 parsed_2mcc 1
2 "end of left side, ring dihedrals" 32 77 32 111 parsed_2mcc 1
3 "left side, dipy rings" 34 74 34 97 parsed_2mcc 1
4 "now the same again for the right side" 42 74 42 113 parsed_2mcc 1
5 "end of right side, ring dihedrals" 72 76 72 111 parsed_2mcc 1
6 "right side, dipy rings" 74 75 74 99 parsed_2mcc 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
end
restraints plane
;
81 1 82 16 parsed_2mcc 1
stop_
save_