NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
31257 |
1e0z   |
cing | 2-parsed | STAR | dihedral angle | 50 |
data_1e0z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1e0z
_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_1e0z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1e0z
_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 1e0z "Master copy" parsed_1e0z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1e0z
_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 1e0z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e0z 1
1 1e0z.mr . . "MR format" 2 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e0z 1
1 1e0z.mr . . XPLOR/CNS 3 distance NOE simple 1258 parsed_1e0z 1
1 1e0z.mr . . XPLOR/CNS 4 distance "general distance" simple 780 parsed_1e0z 1
1 1e0z.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 92 parsed_1e0z 1
1 1e0z.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_1e0z 1
1 1e0z.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_1e0z 1
1 1e0z.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e0z 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1e0z
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.91 -53.91 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1e0z 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.94 152.94 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_1e0z 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.19 -159.19 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1e0z 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.78 167.78 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_1e0z 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.17 -124.17 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1e0z 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.71 -58.71 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_1e0z 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.48 -63.48 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1e0z 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.31 -21.31 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_1e0z 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.10 65.10 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1e0z 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.74 30.74 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_1e0z 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.29 -118.29 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1e0z 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.71 22.71 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_1e0z 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.75 82.75 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1e0z 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.11 38.11 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_1e0z 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.23 -112.23 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1e0z 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.86 25.86 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_1e0z 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.00 -139.00 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1e0z 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.41 -164.41 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_1e0z 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.22 -105.22 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1e0z 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1.81 18.19 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_1e0z 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.61 -57.61 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1e0z 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.31 -19.31 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_1e0z 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.67 -81.67 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1e0z 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.91 13.09 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_1e0z 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.44 -37.44 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1e0z 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.99 157.99 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_1e0z 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.09 -70.09 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1e0z 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.15 -22.15 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_1e0z 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.17 -95.17 . . 99 . c . 100 . n . 100 . ca . 100 . c parsed_1e0z 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.64 127.64 . . 100 . n . 100 . ca . 100 . c . 101 . n parsed_1e0z 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.17 -62.17 . . 100 . c . 101 . n . 101 . ca . 101 . c parsed_1e0z 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.97 -12.97 . . 101 . n . 101 . ca . 101 . c . 102 . n parsed_1e0z 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.55 -57.55 . . 101 . c . 102 . n . 102 . ca . 102 . c parsed_1e0z 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.74 -14.74 . . 102 . n . 102 . ca . 102 . c . 103 . n parsed_1e0z 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.35 -114.35 . . 102 . c . 103 . n . 103 . ca . 103 . c parsed_1e0z 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.71 33.71 . . 103 . n . 103 . ca . 103 . c . 104 . n parsed_1e0z 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.98 -118.98 . . 103 . c . 104 . n . 104 . ca . 104 . c parsed_1e0z 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.87 154.87 . . 104 . n . 104 . ca . 104 . c . 105 . n parsed_1e0z 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50 110 . . 63 . N . 63 . CA . 63 . CB . 63 . SG parsed_1e0z 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . . 68 . N . 68 . CA . 68 . CB . 68 . SG parsed_1e0z 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 100 . . 71 . N . 71 . CA . 71 . CB . 71 . SG parsed_1e0z 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 100 . . 102 . N . 102 . CA . 102 . CB . 102 . SG parsed_1e0z 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 63 . CA . 63 . CB . 63 . SG FE_S 1 . FE1 parsed_1e0z 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 68 . CA . 68 . CB . 68 . SG FE_S 1 . FE1 parsed_1e0z 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 71 . CA . 71 . CB . 71 . SG FE_S 1 . FE2 parsed_1e0z 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 102 . CA . 102 . CB . 102 . SG FE_S 1 . FE2 parsed_1e0z 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 140 . . 63 . SG FE_S 1 . FE1 FE_S 1 . S1 FE_S 1 . FE2 parsed_1e0z 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 68 . SG FE_S 1 . FE1 FE_S 1 . S1 FE_S 1 . FE2 parsed_1e0z 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -100 . . 71 . SG FE_S 1 . FE2 FE_S 1 . S2 FE_S 1 . FE1 parsed_1e0z 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 150 . . 102 . SG FE_S 1 . FE2 FE_S 1 . S2 FE_S 1 . FE1 parsed_1e0z 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 angle restraints to maintain the geometry of the
cluster vicinity
;
2 1 3 19 parsed_1e0z 1
stop_
save_
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