NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
639049 |
6dri   |
30479 | cing | 2-parsed | STAR | dihedral angle | 73 |
data_6dri_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6dri
_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_6dri 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6dri
_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 6dri "Master copy" parsed_6dri
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6dri
_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 6dri.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6dri 1
1 6dri.mr . . DYANA/DIANA 2 distance NOE simple 0 parsed_6dri 1
1 6dri.mr . . XPLOR/CNS 3 distance NOE simple 517 parsed_6dri 1
1 6dri.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 73 parsed_6dri 1
1 6dri.mr . . XPLOR/CNS 5 distance "hydrogen bond" ambi 0 parsed_6dri 1
1 6dri.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6dri 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6dri
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.3 -50.1 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6dri 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.5 152.5 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6dri 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6dri 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -38.7 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6dri 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 171.9 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6dri 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.8 -52.8 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6dri 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.1 161.1 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6dri 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.6 -46.2 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6dri 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 159.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6dri 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6dri 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.5 -58.1 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6dri 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.2 16.4 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6dri 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.7 -22.7 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6dri 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.7 173.3 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6dri 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.4 -64.4 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6dri 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.9 114.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6dri 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6dri 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6dri 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6dri 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -20.4 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6dri 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6dri 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.6 -22.6 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6dri 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6dri 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -20.7 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6dri 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.1 -47.1 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6dri 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.8 -15.8 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6dri 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 -48.4 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6dri 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -12.7 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6dri 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.6 -44.6 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6dri 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.5 -14.5 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6dri 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.5 -52.5 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6dri 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.9 5.3 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6dri 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.2 -84.2 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6dri 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.1 30.9 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6dri 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -47.4 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6dri 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 164.2 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6dri 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6dri 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.2 -42.2 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6dri 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 32.2 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6dri 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -80.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6dri 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.3 25.5 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6dri 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.9 -42.9 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6dri 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.7 -25.7 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6dri 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6dri 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.2 -14.2 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6dri 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.1 -49.9 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6dri 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.6 6.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6dri 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.5 -58.5 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6dri 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.8 10.2 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6dri 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.9 -66.3 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6dri 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.2 172.6 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_6dri 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 -14.8 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_6dri 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_6dri 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -17.9 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_6dri 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_6dri 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.1 -12.1 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_6dri 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.1 -64.1 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_6dri 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.2 10.8 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_6dri 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.6 96.4 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_6dri 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8.6 48.6 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_6dri 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_6dri 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_6dri 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_6dri 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_6dri 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . OG parsed_6dri 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_6dri 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_6dri 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_6dri 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . SG parsed_6dri 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_6dri 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_6dri 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_6dri 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . N . 39 . CA . 39 . CB . 39 . CG parsed_6dri 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 Dihedral.tbl 1 1 1 14 parsed_6dri 1
2 "assign (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) (resid 4 and name N ) 1.0 141.9 21.7 2 !Removed by David on 16th of March (Caused violations of 4 degrees or more in 6 structures when annealed with 100. 20 crashed therefore something wrong)" 5 1 5 300 parsed_6dri 1
3 "assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 -24.9 20.0 2 ! Removed by David 28th March" 13 1 13 177 parsed_6dri 1
stop_
save_
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