Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
588994 | 2mn0 RC | 19873 | cing | 2-parsed | STAR | dihedral angle | 54 |
data_2mn0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mn0
_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_2mn0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mn0
_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 2mn0 "Master copy" parsed_2mn0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mn0
_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 2mn0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mn0 1
1 2mn0.mr . . XPLOR/CNS 2 distance NOE simple 39 parsed_2mn0 1
1 2mn0.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 54 parsed_2mn0 1
1 2mn0.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2mn0 1
1 2mn0.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mn0 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mn0
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_2mn0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_2mn0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_2mn0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 12 . P . 12 . O5' . 12 . C5' . 12 . C4' parsed_2mn0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 13 . P . 13 . O5' . 13 . C5' . 13 . C4' parsed_2mn0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 14 . P . 14 . O5' . 14 . C5' . 14 . C4' parsed_2mn0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.000 198.000 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_2mn0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_2mn0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_2mn0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_2mn0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_2mn0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_2mn0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 285.0 . . 13 . C4' . 13 . C3' . 13 . O3' . 14 . P parsed_2mn0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_2mn0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_2mn0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_2mn0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_2mn0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_2mn0 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' parsed_2mn0 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_2mn0 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.000 74.000 . . 15 . O5' . 15 . C5' . 15 . C4' . 15 . C3' parsed_2mn0 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_2mn0 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_2mn0 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_2mn0 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_2mn0 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' parsed_2mn0 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . . 13 . C3' . 13 . O3' . 14 . P . 14 . O5' parsed_2mn0 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 1 . H1' . 1 . C1' . 1 . C2' . 1 . H2' parsed_2mn0 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 1 . H2' . 1 . C2' . 1 . C3' . 1 . H3' parsed_2mn0 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 1 . H3' . 1 . C3' . 1 . C4' . 1 . H4' parsed_2mn0 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 2 . H1' . 2 . C1' . 2 . C2' . 2 . H2' parsed_2mn0 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 2 . H2' . 2 . C2' . 2 . C3' . 2 . H3' parsed_2mn0 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 2 . H3' . 2 . C3' . 2 . C4' . 2 . H4' parsed_2mn0 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 3 . H1' . 3 . C1' . 3 . C2' . 3 . H2' parsed_2mn0 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 3 . H2' . 3 . C2' . 3 . C3' . 3 . H3' parsed_2mn0 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 3 . H3' . 3 . C3' . 3 . C4' . 3 . H4' parsed_2mn0 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 4 . H1' . 4 . C1' . 4 . C2' . 4 . H2' parsed_2mn0 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 4 . H2' . 4 . C2' . 4 . C3' . 4 . H3' parsed_2mn0 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 4 . H3' . 4 . C3' . 4 . C4' . 4 . H4' parsed_2mn0 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 12 . H1' . 12 . C1' . 12 . C2' . 12 . H2' parsed_2mn0 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 12 . H2' . 12 . C2' . 12 . C3' . 12 . H3' parsed_2mn0 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 12 . H3' . 12 . C3' . 12 . C4' . 12 . H4' parsed_2mn0 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 13 . H1' . 13 . C1' . 13 . C2' . 13 . H2' parsed_2mn0 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 13 . H2' . 13 . C2' . 13 . C3' . 13 . H3' parsed_2mn0 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 13 . H3' . 13 . C3' . 13 . C4' . 13 . H4' parsed_2mn0 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 14 . H1' . 14 . C1' . 14 . C2' . 14 . H2' parsed_2mn0 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 14 . H2' . 14 . C2' . 14 . C3' . 14 . H3' parsed_2mn0 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 14 . H3' . 14 . C3' . 14 . C4' . 14 . H4' parsed_2mn0 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 15 . H1' . 15 . C1' . 15 . C2' . 15 . H2' parsed_2mn0 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 15 . H2' . 15 . C2' . 15 . C3' . 15 . H3' parsed_2mn0 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 15 . H3' . 15 . C3' . 15 . C4' . 15 . H4' parsed_2mn0 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.4 167.4 . . 7 . H1' . 7 . C1' . 7 . C2' . 7 . H2' parsed_2mn0 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.6 -24.6 . . 7 . H2' . 7 . C2' . 7 . C3' . 7 . H3' parsed_2mn0 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.5 -90.5 . . 7 . H3' . 7 . C3' . 7 . C4' . 7 . H4' parsed_2mn0 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
;
restraints on beta in A-helix
-----------------------------
assign (resid 1 and name P)
(resid 1 and name O5')
(resid 1 and name C5')
(resid 1 and name C4')
1.000 178.000 20.000 2
;
1 1 8 30 parsed_2mn0 1
2
;
restraints on epsilon
---------------------
;
52 1 53 23 parsed_2mn0 1
3
;
restraints on gamma in A-helix
-----------------------------
;
92 1 93 31 parsed_2mn0 1
4
;
restraints on zeta in regular duplex
------------------------------------
;
143 1 144 38 parsed_2mn0 1
5
;
restraints on residues with N-puckering
--------------------------------------
;
182 1 183 40 parsed_2mn0 1
6
;
restraints on residues with S-puckering
--------------------------------------
;
329 1 330 40 parsed_2mn0 1
7 "message=on echo=on" 353 1 353 26 parsed_2mn0 1
8
;
assign (resid 10 and name H2) (resid 7 and name H1') 5 3.5 1 !very weak, removed
assign (resid 5 and name N6) (resid 11 and name N1) 3 0.3 0.3 !possible hbond according to chimera, omitted
removed nonnoe in during waterrefinement
;
355 1 357 43 parsed_2mn0 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 352 1 352 3 parsed_2mn0 1
stop_
save_