NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
583494 |
2mkm   |
19784 | cing | 2-parsed | STAR | dihedral angle | 67 |
data_2mkm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mkm
_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_2mkm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mkm
_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 2mkm "Master copy" parsed_2mkm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mkm
_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 2mkm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mkm 1
1 2mkm.mr . . AMBER 2 distance NOE simple 0 parsed_2mkm 1
1 2mkm.mr . . AMBER 3 planarity "Not applicable" "Not applicable" 0 parsed_2mkm 1
1 2mkm.mr . . AMBER 4 distance "hydrogen bond" simple 0 parsed_2mkm 1
1 2mkm.mr . . AMBER 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mkm 1
1 2mkm.mr . . "MR format" 6 comment "Not applicable" "Not applicable" 0 parsed_2mkm 1
1 2mkm.mr . . XPLOR/CNS 7 distance NOE simple 304 parsed_2mkm 1
1 2mkm.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 25 parsed_2mkm 1
1 2mkm.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 67 parsed_2mkm 1
1 2mkm.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mkm 1
1 2mkm.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mkm 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mkm
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_2mkm 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_2mkm 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_2mkm 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_2mkm 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_2mkm 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_2mkm 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_2mkm 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_2mkm 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_2mkm 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 35.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_2mkm 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_2mkm 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_2mkm 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_2mkm 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_2mkm 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_2mkm 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_2mkm 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_2mkm 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_2mkm 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_2mkm 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 -22.5 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_2mkm 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 1 . H4' . 1 . C4' . 1 . C3' . 1 . H3' parsed_2mkm 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 2 . H4' . 2 . C4' . 2 . C3' . 2 . H3' parsed_2mkm 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 3 . H4' . 3 . C4' . 3 . C3' . 3 . H3' parsed_2mkm 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 4 . H4' . 4 . C4' . 4 . C3' . 4 . H3' parsed_2mkm 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 5 . H4' . 5 . C4' . 5 . C3' . 5 . H3' parsed_2mkm 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 6 . H4' . 6 . C4' . 6 . C3' . 6 . H3' parsed_2mkm 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 7 . H4' . 7 . C4' . 7 . C3' . 7 . H3' parsed_2mkm 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 8 . H4' . 8 . C4' . 8 . C3' . 8 . H3' parsed_2mkm 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 9 . H4' . 9 . C4' . 9 . C3' . 9 . H3' parsed_2mkm 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -85.0 . . 10 . H4' . 10 . C4' . 10 . C3' . 10 . H3' parsed_2mkm 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_2mkm 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_2mkm 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_2mkm 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_2mkm 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_2mkm 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2mkm 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_2mkm 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 3 . O4' . 3 . C1' . 3 . N1 . 3 . C2 parsed_2mkm 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_2mkm 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_2mkm 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_2mkm 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 250.0 . . 1 . H1' . 1 . C1' . 1 . N9 . 1 . C4 parsed_2mkm 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 2 . H1' . 2 . C1' . 2 . N9 . 2 . C4 parsed_2mkm 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 250.0 . . 5 . H1' . 5 . C1' . 5 . N9 . 5 . C4 parsed_2mkm 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 6 . H1' . 6 . C1' . 6 . N9 . 6 . C4 parsed_2mkm 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 250.0 . . 10 . H1' . 10 . C1' . 10 . N9 . 10 . C4 parsed_2mkm 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 11 . H1' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2mkm 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 8 . H1' . 8 . C1' . 8 . N9 . 8 . C4 parsed_2mkm 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 3 . O4' . 3 . C1' . 3 . N1 . 3 . C2 parsed_2mkm 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_2mkm 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_2mkm 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_2mkm 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_2mkm 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_2mkm 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_2mkm 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 10 . P . 10 . O5' . 10 . C5' . 10 . C4' parsed_2mkm 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' parsed_2mkm 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 8 . P . 8 . O5' . 8 . C5' . 8 . C4' parsed_2mkm 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_2mkm 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_2mkm 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_2mkm 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' parsed_2mkm 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_2mkm 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_2mkm 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_2mkm 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_2mkm 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_2mkm 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 !Angles 1 1 1 9 parsed_2mkm 1
2
;
Glycosidic dihedral restraints (two dihedral angles @residue)
anti:(240,0)+/-40-70 or syn:(60,180)+/-40-70
heavy atoms restraint only
All residues (based on intra-residue NOE cross-peaks)
;
152 1 155 56 parsed_2mkm 1
3
;
Beta angles of all Guanines are trans according to the (weak 31P-H5'/H5'' cross-peaks) in the 31P-1H HSQC spectrum
! free B-DNA:180+/-50
NMR intensity:180+/-60
;
268 1 270 25 parsed_2mkm 1
4
;
Assign considering the NOESY intensity peaks of Ar with H5'-H5" and intersugar dist H2'H5'/H5"
and in the 31P-1H-HSQC the cross-peaks between 31P and H4'-> which estabilish the g+ conf.
;
303 1 304 92 parsed_2mkm 1
stop_
save_
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