NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
564796 |
2ma6   |
19329 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_2ma6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ma6
_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_2ma6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ma6
_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 2ma6 "Master copy" parsed_2ma6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ma6
_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 2ma6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ma6 1
1 2ma6.mr . . XPLOR/CNS 2 distance NOE simple 777 parsed_2ma6 1
1 2ma6.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 32 parsed_2ma6 1
1 2ma6.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_2ma6 1
1 2ma6.mr . . XPLOR/CNS 5 distance "general distance" simple 0 parsed_2ma6 1
1 2ma6.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ma6 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ma6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.2 -56.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2ma6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.0 170.2 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2ma6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -66.4 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2ma6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.6 19.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2ma6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.4 -60.4 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2ma6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.6 3.2 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2ma6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.6 -102.2 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2ma6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.8 176.8 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2ma6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.6 -99.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2ma6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.5 174.5 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2ma6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.9 -102.7 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2ma6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.7 167.1 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2ma6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.4 -47.8 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2ma6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.8 186.6 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2ma6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -231.1 -91.1 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2ma6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.7 198.9 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2ma6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.6 -41.6 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2ma6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.4 -15.4 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2ma6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -43.7 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2ma6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.9 -18.7 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2ma6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -52.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2ma6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.7 -10.3 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2ma6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.2 -40.2 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2ma6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 -22.4 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2ma6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2ma6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2ma6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2ma6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2ma6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.1 -31.5 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2ma6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.4 1.4 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2ma6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -45.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2ma6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 -16.1 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2ma6 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -208.4 -68.4 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2ma6 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.3 191.7 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2ma6 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.5 -57.7 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2ma6 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 174.6 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2ma6 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.8 -52.4 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2ma6 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.6 152.8 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2ma6 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.4 -53.2 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2ma6 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.5 168.1 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2ma6 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.8 -67.6 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2ma6 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.7 -2.9 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2ma6 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.9 -135.9 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2ma6 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.8 176.8 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2ma6 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.1 -86.1 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2ma6 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 146.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2ma6 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.4 -68.4 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2ma6 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.2 191.4 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2ma6 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.2 -60.6 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2ma6 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.9 187.5 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2ma6 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.9 -50.7 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2ma6 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.3 158.3 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2ma6 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 "CNS dihedral constraints from Talos+" 1 1 1 39 parsed_2ma6 1
stop_
save_
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