Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
599098 | 2n8h RC | 26674 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_2n8h_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n8h
_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_2n8h 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n8h
_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 2n8h "Master copy" parsed_2n8h
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n8h
_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 2n8h.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n8h 1
1 2n8h.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2n8h 1
1 2n8h.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2n8h 1
1 2n8h.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2n8h 1
1 2n8h.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n8h 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n8h
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.7 -50.9 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2n8h 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.7 112.7 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2n8h 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.7 12.3 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2n8h 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.9 -50.1 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2n8h 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.7 152.7 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2n8h 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.4 -63.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2n8h 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.5 149.5 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2n8h 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.2 -44.4 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n8h 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.9 170.9 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n8h 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.7 -62.1 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2n8h 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 137.2 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2n8h 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.7 -0.7 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2n8h 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.2 -69.2 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2n8h 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.6 12.4 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2n8h 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.2 165.8 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2n8h 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -49.6 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2n8h 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.4 157.4 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2n8h 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.9 -58.9 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2n8h 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.1 136.9 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2n8h 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.3 -49.3 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2n8h 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.4 -7.4 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2n8h 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -53.2 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2n8h 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2n8h 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.1 11.9 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2n8h 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.4 174.4 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2n8h 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.7 179.5 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2n8h 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.2 -47.6 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2n8h 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.3 159.3 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2n8h 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.1 -36.1 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2n8h 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.9 168.7 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2n8h 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.3 -61.3 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2n8h 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.3 187.7 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2n8h 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.4 -46.4 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2n8h 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.2 186.2 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2n8h 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2n8h 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2n8h 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2n8h 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2n8h 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2n8h 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2n8h 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2n8h 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 17 . N . 17 . CA . 17 . CB . 17 . SG parsed_2n8h 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 18 . N . 18 . CA . 18 . CB . 18 . SG parsed_2n8h 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 22 . N . 22 . CA . 22 . CB . 22 . SG parsed_2n8h 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_2n8h 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_2n8h 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 30 . N . 30 . CA . 30 . CB . 30 . CG parsed_2n8h 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_2n8h 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
;
Phi/Psi Angles From 'Strong' TALOS-N Predictions:
error margins are set to conservative default values of double the
standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
1 1 3 81 parsed_2n8h 1
2
;
Phi/Psi Angles From 'Generous' TALOS-N Predictions:
error margins are set to default values of triple the standard
deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
61 1 63 72 parsed_2n8h 1
3 "From 3Jna" 77 1 77 12 parsed_2n8h 1
4 CHI1 89 1 89 7 parsed_2n8h 1
stop_
save_