NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
33091 |
1hpk   |
cing | 2-parsed | STAR | dihedral angle | 66 |
data_1hpk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1hpk
_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_1hpk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1hpk
_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 1hpk "Master copy" parsed_1hpk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1hpk
_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 1hpk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1hpk 1
1 1hpk.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1hpk 1
1 1hpk.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_1hpk 1
1 1hpk.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1hpk 1
1 1hpk.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_1hpk 1
1 1hpk.mr . . XPLOR/CNS 6 distance "general distance" simple 0 parsed_1hpk 1
1 1hpk.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1hpk 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1hpk
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 32 . CA . 32 . C . 33 . N . 33 . CA parsed_1hpk 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 36 . CA . 36 . C . 37 . N . 37 . CA parsed_1hpk 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 40 . CA . 40 . C . 41 . N . 41 . CA parsed_1hpk 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 52 . CA . 52 . C . 53 . N . 53 . CA parsed_1hpk 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 56 . CA . 56 . C . 57 . N . 57 . CA parsed_1hpk 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 59 . CA . 59 . C . 60 . N . 60 . CA parsed_1hpk 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 66 . CA . 66 . C . 67 . N . 67 . CA parsed_1hpk 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 29 . CA . 29 . C . 30 . N . 30 . CA parsed_1hpk 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1hpk 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1hpk 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1hpk 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1hpk 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1hpk 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1hpk 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1hpk 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1hpk 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . C . 17 . N . 17 . CA . 17 . C parsed_1hpk 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1hpk 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . C . 21 . N . 21 . CA . 21 . C parsed_1hpk 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1hpk 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1hpk 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1hpk 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1hpk 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1hpk 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1hpk 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . C . 38 . N . 38 . CA . 38 . C parsed_1hpk 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1hpk 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1hpk 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1hpk 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1hpk 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1hpk 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1hpk 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1hpk 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1hpk 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1hpk 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1hpk 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1hpk 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1hpk 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1hpk 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1hpk 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 70 . C . 73 . N . 73 . CA . 73 . C parsed_1hpk 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1hpk 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1hpk 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_1hpk 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 75 . C . 77 . N . 77 . CA . 77 . C parsed_1hpk 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 51 . N . 51 . CA . 51 . CB . 51 . CG parsed_1hpk 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 22 . N . 22 . CA . 22 . CB . 22 . SG parsed_1hpk 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_1hpk 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 78 . N . 78 . CA . 78 . CB . 78 . CG parsed_1hpk 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 40 . N . 40 . CA . 40 . CB . 40 . CG parsed_1hpk 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 50 . N . 50 . CA . 50 . CB . 50 . SG parsed_1hpk 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1hpk 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_1hpk 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 73 . N . 73 . CA . 73 . CB . 73 . CG parsed_1hpk 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 74 . N . 74 . CA . 74 . CB . 74 . SG parsed_1hpk 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 63 . N . 63 . CA . 63 . CB . 63 . CG parsed_1hpk 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 49 . N . 49 . CA . 49 . CB . 49 . CG parsed_1hpk 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 35 . N . 35 . CA . 35 . CB . 35 . CG parsed_1hpk 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -45.0 . . 79 . N . 79 . CA . 79 . CB . 79 . SG parsed_1hpk 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 180.0 . . 2 . N . 2 . CA . 2 . CB . 2 . CG parsed_1hpk 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 52 . N . 52 . CA . 52 . CB . 52 . CG parsed_1hpk 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 14 . N . 14 . CA . 14 . CB . 14 . OG parsed_1hpk 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 66 . N . 66 . CA . 66 . CB . 66 . CG parsed_1hpk 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG1 parsed_1hpk 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 55 . N . 55 . CA . 55 . CB . 55 . CG parsed_1hpk 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_1hpk 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 17 1 17 5 parsed_1hpk 1
2 10.601 19 73 19 80 parsed_1hpk 1
3 10.039 21 73 21 80 parsed_1hpk 1
4 8.880 23 73 23 80 parsed_1hpk 1
5 10.598 25 73 25 80 parsed_1hpk 1
6 12.890 27 73 27 80 parsed_1hpk 1
7 9.849 29 73 29 80 parsed_1hpk 1
8 10.204 31 73 31 80 parsed_1hpk 1
9 9.003 33 73 33 80 parsed_1hpk 1
10 5.720 35 73 35 80 parsed_1hpk 1
11 9.989 37 73 37 80 parsed_1hpk 1
12 5.669 39 73 39 80 parsed_1hpk 1
13 8.822 41 73 41 80 parsed_1hpk 1
14 8.896 43 73 43 80 parsed_1hpk 1
15 9.847 45 73 45 80 parsed_1hpk 1
16 9.625 47 73 47 80 parsed_1hpk 1
17 8.638 49 73 49 80 parsed_1hpk 1
18 10.020 51 73 51 80 parsed_1hpk 1
19 5.843 53 73 53 80 parsed_1hpk 1
20 8.950 55 73 55 80 parsed_1hpk 1
21 10.287 57 73 57 80 parsed_1hpk 1
22 10.857 59 73 59 80 parsed_1hpk 1
23 8.094 61 73 61 80 parsed_1hpk 1
24 8.890 63 73 63 80 parsed_1hpk 1
25 9.012 65 73 65 80 parsed_1hpk 1
26 11.832 67 73 67 80 parsed_1hpk 1
27 9.092 69 73 69 80 parsed_1hpk 1
28 8.947 71 73 71 80 parsed_1hpk 1
29 9.024 73 73 73 80 parsed_1hpk 1
30 8.274 75 73 75 80 parsed_1hpk 1
31 8.380 77 73 77 80 parsed_1hpk 1
32 9.460 79 73 79 80 parsed_1hpk 1
33 8.178 81 73 81 80 parsed_1hpk 1
34 5.730 83 73 83 80 parsed_1hpk 1
35 9.840 85 73 85 80 parsed_1hpk 1
36 8.944 87 73 87 80 parsed_1hpk 1
37 8.928 89 73 89 80 parsed_1hpk 1
38
;
5.942
chi1
;
91 73 92 6 parsed_1hpk 1
stop_
save_
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