NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
33466 |
1ico   |
cing | 2-parsed | STAR | dihedral angle | 56 |
data_1ico_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ico
_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_1ico 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ico
_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 1ico "Master copy" parsed_1ico
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ico
_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 1ico.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ico 1
1 1ico.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1ico 1
1 1ico.mr . . DISCOVER 3 distance NOE simple 500 parsed_1ico 1
1 1ico.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1ico 1
1 1ico.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_1ico 1
1 1ico.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ico 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ico
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 1 SERN CA 1 1 SERN C 1 2 LYS+ N 1 2 LYS+ CA parsed_1ico 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 1 SERN O 1 1 SERN C 1 2 LYS+ N 1 2 LYS+ HN parsed_1ico 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 2 LYS+ CA 1 2 LYS+ C 1 3 TYR N 1 3 TYR CA parsed_1ico 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 2 LYS+ O 1 2 LYS+ C 1 3 TYR N 1 3 TYR HN parsed_1ico 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 3 TYR CA 1 3 TYR C 1 4 GLU- N 1 4 GLU- CA parsed_1ico 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 3 TYR O 1 3 TYR C 1 4 GLU- N 1 4 GLU- HN parsed_1ico 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 4 GLU- CA 1 4 GLU- C 1 5 TYR N 1 5 TYR CA parsed_1ico 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 4 GLU- O 1 4 GLU- C 1 5 TYR N 1 5 TYR HN parsed_1ico 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 5 TYR CA 1 5 TYR C 1 6 THR N 1 6 THR CA parsed_1ico 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 5 TYR O 1 5 TYR C 1 6 THR N 1 6 THR HN parsed_1ico 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 6 THR CA 1 6 THR C 1 7 ILE N 1 7 ILE CA parsed_1ico 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 6 THR O 1 6 THR C 1 7 ILE N 1 7 ILE HN parsed_1ico 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 7 ILE CA 1 7 ILE C 1 8 PRO N 1 8 PRO CA parsed_1ico 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 7 ILE O 1 7 ILE C 1 8 PRO N 1 8 PRO CD parsed_1ico 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 8 PRO CA 1 8 PRO C 1 9 SER N 1 9 SER CA parsed_1ico 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 8 PRO O 1 8 PRO C 1 9 SER N 1 9 SER HN parsed_1ico 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 9 SER CA 1 9 SER C 1 10 TYR N 1 10 TYR CA parsed_1ico 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 9 SER O 1 9 SER C 1 10 TYR N 1 10 TYR HN parsed_1ico 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 10 TYR CA 1 10 TYR C 1 11 THR N 1 11 THR CA parsed_1ico 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 10 TYR O 1 10 TYR C 1 11 THR N 1 11 THR HN parsed_1ico 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 11 THR CA 1 11 THR C 1 12 PHE N 1 12 PHE CA parsed_1ico 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 11 THR O 1 11 THR C 1 12 PHE N 1 12 PHE HN parsed_1ico 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 12 PHE CA 1 12 PHE C 1 13 ARG+ N 1 13 ARG+ CA parsed_1ico 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 12 PHE O 1 12 PHE C 1 13 ARG+ N 1 13 ARG+ HN parsed_1ico 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 13 ARG+ CA 1 13 ARG+ C 1 14 GLY N 1 14 GLY CA parsed_1ico 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 13 ARG+ O 1 13 ARG+ C 1 14 GLY N 1 14 GLY HN parsed_1ico 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 14 GLY CA 1 14 GLY C 1 15 PRO N 1 15 PRO CA parsed_1ico 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 14 GLY O 1 14 GLY C 1 15 PRO N 1 15 PRO CD parsed_1ico 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 15 PRO CA 1 15 PRO C 1 16 GLY N 1 16 GLY CA parsed_1ico 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 15 PRO O 1 15 PRO C 1 16 GLY N 1 16 GLY HN parsed_1ico 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 16 GLY CA 1 16 GLY C 1 17 CYS N 1 17 CYS CA parsed_1ico 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 16 GLY O 1 16 GLY C 1 17 CYS N 1 17 CYS HN parsed_1ico 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 17 CYS CA 1 17 CYS C 1 18 PRO N 1 18 PRO CA parsed_1ico 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 17 CYS O 1 17 CYS C 1 18 PRO N 1 18 PRO CD parsed_1ico 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 18 PRO CA 1 18 PRO C 1 19 THR N 1 19 THR CA parsed_1ico 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 18 PRO O 1 18 PRO C 1 19 THR N 1 19 THR HN parsed_1ico 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 19 THR CA 1 19 THR C 1 20 VAL N 1 20 VAL CA parsed_1ico 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 19 THR O 1 19 THR C 1 20 VAL N 1 20 VAL HN parsed_1ico 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 20 VAL CA 1 20 VAL C 1 21 LYS+ N 1 21 LYS+ CA parsed_1ico 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 20 VAL O 1 20 VAL C 1 21 LYS+ N 1 21 LYS+ HN parsed_1ico 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 21 LYS+ CA 1 21 LYS+ C 1 22 PRO N 1 22 PRO CA parsed_1ico 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 21 LYS+ O 1 21 LYS+ C 1 22 PRO N 1 22 PRO CD parsed_1ico 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 22 PRO CA 1 22 PRO C 1 23 ALA N 1 23 ALA CA parsed_1ico 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 22 PRO O 1 22 PRO C 1 23 ALA N 1 23 ALA HN parsed_1ico 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 23 ALA CA 1 23 ALA C 1 24 VAL N 1 24 VAL CA parsed_1ico 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 23 ALA O 1 23 ALA C 1 24 VAL N 1 24 VAL HN parsed_1ico 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 24 VAL CA 1 24 VAL C 1 25 THR N 1 25 THR CA parsed_1ico 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 24 VAL O 1 24 VAL C 1 25 THR N 1 25 THR HN parsed_1ico 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 25 THR CA 1 25 THR C 1 26 ILE N 1 26 ILE CA parsed_1ico 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 25 THR O 1 25 THR C 1 26 ILE N 1 26 ILE HN parsed_1ico 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 26 ILE CA 1 26 ILE C 1 27 ARG+ N 1 27 ARG+ CA parsed_1ico 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 26 ILE O 1 26 ILE C 1 27 ARG+ N 1 27 ARG+ HN parsed_1ico 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 27 ARG+ CA 1 27 ARG+ C 1 28 CYS N 1 28 CYS CA parsed_1ico 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 27 ARG+ O 1 27 ARG+ C 1 28 CYS N 1 28 CYS HN parsed_1ico 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 28 CYS CA 1 28 CYS C 1 29 GL-C N 1 29 GL-C CA parsed_1ico 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 28 CYS O 1 28 CYS C 1 29 GL-C N 1 29 GL-C HN parsed_1ico 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 NMR_dihedral 1 1 1 13 parsed_1ico 1
stop_
save_
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