NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
612409 |
5ttt   |
30200 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_5ttt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5ttt
_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_5ttt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5ttt
_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 5ttt "Master copy" parsed_5ttt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5ttt
_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 5ttt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ttt 1
1 5ttt.mr . . XPLOR/CNS 2 distance NOE simple 6 parsed_5ttt 1
1 5ttt.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 50 parsed_5ttt 1
1 5ttt.mr . . XPLOR/CNS 4 distance NOE simple 119 parsed_5ttt 1
1 5ttt.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_5ttt 1
1 5ttt.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ttt 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5ttt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.10 -69.10 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_5ttt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.80 176.80 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_5ttt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.20 -58.20 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_5ttt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.10 44.90 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_5ttt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.30 -53.30 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_5ttt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.00 169.10 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_5ttt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.10 -25.10 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_5ttt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.80 21.20 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_5ttt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.80 -47.80 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_5ttt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.70 41.30 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_5ttt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.60 -53.60 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_5ttt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.60 191.60 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_5ttt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.30 203.30 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_5ttt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.80 -70.80 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_5ttt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.90 198.90 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_5ttt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.40 -38.40 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_5ttt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.10 195.10 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_5ttt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.20 -21.20 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_5ttt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.40 10.60 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_5ttt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.20 -22.20 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_5ttt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.60 8.40 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_5ttt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.30 -22.30 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_5ttt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.60 8.40 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_5ttt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -22.00 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_5ttt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 12.00 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_5ttt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.70 -24.70 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_5ttt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.90 9.10 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_5ttt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.40 -23.40 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_5ttt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.40 3.60 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_5ttt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.90 -18.90 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_5ttt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.30 4.70 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_5ttt 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.50 -23.50 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_5ttt 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.40 16.60 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_5ttt 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.40 -21.40 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_5ttt 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.50 11.50 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_5ttt 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.40 -29.40 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_5ttt 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.90 20.10 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_5ttt 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.10 -25.10 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_5ttt 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.70 22.30 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_5ttt 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -59.00 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_5ttt 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.80 43.20 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_5ttt 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.00 -48.00 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_5ttt 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.10 197.10 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_5ttt 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.50 -51.50 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_5ttt 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.30 182.30 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_5ttt 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.50 -48.50 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_5ttt 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.20 191.20 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_5ttt 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
;
ACO file produced by PDBStat
Version: 5.0-Exp Compiled 2007-07-09 on (europa)
;
1 1 4 2 parsed_5ttt 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 dihedral 5 2 5 9 parsed_5ttt 1
2 end 100 2 100 4 parsed_5ttt 1
stop_
save_
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