NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
39392 |
1t1p   |
1344 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_1t1p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1t1p
_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_1t1p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1t1p
_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 1t1p "Master copy" parsed_1t1p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1t1p
_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 1t1p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1t1p 1
1 1t1p.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1t1p 1
1 1t1p.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1t1p 1
1 1t1p.mr . . DISCOVER 4 distance "general distance" simple 47 parsed_1t1p 1
1 1t1p.mr . . DISCOVER 5 distance "hydrogen bond" simple 50 parsed_1t1p 1
1 1t1p.mr . . DISCOVER 6 distance NOE simple 525 parsed_1t1p 1
1 1t1p.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1t1p 1
1 1t1p.mr . . DISCOVER 8 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_1t1p 1
1 1t1p.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1t1p 1
stop_
save_
save_Discover_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1t1p
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 1 GLYN C 1 2 ILE N 1 2 ILE CA 1 2 ILE C parsed_1t1p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 2 ILE C 1 3 VAL N 1 3 VAL CA 1 3 VAL C parsed_1t1p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 3 VAL C 1 4 GLU- N 1 4 GLU- CA 1 4 GLU- C parsed_1t1p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 4 GLU- C 1 5 GLN N 1 5 GLN CA 1 5 GLN C parsed_1t1p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 5 GLN C 1 6 CYS N 1 6 CYS CA 1 6 CYS C parsed_1t1p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 12 SER C 1 13 LEU N 1 13 LEU CA 1 13 LEU C parsed_1t1p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 13 LEU C 1 14 TYR N 1 14 TYR CA 1 14 TYR C parsed_1t1p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 14 TYR C 1 15 GLN N 1 15 GLN CA 1 15 GLN C parsed_1t1p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 15 GLN C 1 16 LEU N 1 16 LEU CA 1 16 LEU C parsed_1t1p 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 16 LEU C 1 17 GLU- N 1 17 GLU- CA 1 17 GLU- C parsed_1t1p 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 17 GLU- C 1 18 ASN N 1 18 ASN CA 1 18 ASN C parsed_1t1p 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 18 ASN C 1 19 TYR N 1 19 TYR CA 1 19 TYR C parsed_1t1p 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 19 TYR C 1 20 CYS N 1 20 CYS CA 1 20 CYS C parsed_1t1p 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 25 GLN C 1 26 HIS N 1 26 HIS CA 1 26 HIS C parsed_1t1p 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 30 SER C 1 31 ASP- N 1 31 ASP- CA 1 31 ASP- C parsed_1t1p 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 31 ASP- C 1 32 LEU N 1 32 LEU CA 1 32 LEU C parsed_1t1p 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 32 LEU C 1 33 THR N 1 33 THR CA 1 33 THR C parsed_1t1p 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 33 THR C 1 34 GLU- N 1 34 GLU- CA 1 34 GLU- C parsed_1t1p 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 34 GLU- C 1 35 ALA N 1 35 ALA CA 1 35 ALA C parsed_1t1p 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 35 ALA C 1 36 LEU N 1 36 LEU CA 1 36 LEU C parsed_1t1p 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 36 LEU C 1 37 TYR N 1 37 TYR CA 1 37 TYR C parsed_1t1p 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 37 TYR C 1 38 LEU N 1 38 LEU CA 1 38 LEU C parsed_1t1p 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 38 LEU C 1 39 VAL N 1 39 VAL CA 1 39 VAL C parsed_1t1p 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 9 SER C 1 10 ILE N 1 10 ILE CA 1 10 ILE C parsed_1t1p 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 11 CYS C 1 12 SER N 1 12 SER CA 1 12 SER C parsed_1t1p 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 22 PHEN C 1 23 VAL N 1 23 VAL CA 1 23 VAL C parsed_1t1p 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 24 ASN C 1 25 GLN N 1 25 GLN CA 1 25 GLN C parsed_1t1p 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 26 HIS C 1 27 LEU N 1 27 LEU CA 1 27 LEU C parsed_1t1p 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 45 PHE C 1 46 PHE N 1 46 PHE CA 1 46 PHE C parsed_1t1p 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 47 TYR C 1 48 THR N 1 48 THR CA 1 48 THR C parsed_1t1p 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 6 CYS N 1 6 CYS CA 1 6 CYS CB 1 6 CYS SG parsed_1t1p 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 10 ILE N 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 parsed_1t1p 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.000 100.000 . 1 10 ILE CA 1 10 ILE CB 1 10 ILE CG1 1 10 ILE CD1 parsed_1t1p 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 39 VAL N 1 39 VAL CA 1 39 VAL CB 1 39 VAL CG1 parsed_1t1p 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 19 TYR N 1 19 TYR CA 1 19 TYR CB 1 19 TYR CG parsed_1t1p 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 26 HIS N 1 26 HIS CA 1 26 HIS CB 1 26 HIS CG parsed_1t1p 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 27 LEU N 1 27 LEU CA 1 27 LEU CB 1 27 LEU CG parsed_1t1p 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 31 ASP- N 1 31 ASP- CA 1 31 ASP- CB 1 31 ASP- CG parsed_1t1p 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 -20.000 . 1 40 CYS N 1 40 CYS CA 1 40 CYS CB 1 40 CYS SG parsed_1t1p 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 -140.000 . 1 5 GLN N 1 5 GLN CA 1 5 GLN CB 1 5 GLN CG parsed_1t1p 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 -140.000 . 1 7 CYS N 1 7 CYS CA 1 7 CYS CB 1 7 CYS SG parsed_1t1p 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 -140.000 . 1 14 TYR N 1 14 TYR CA 1 14 TYR CB 1 14 TYR CG parsed_1t1p 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 -140.000 . 1 25 GLN N 1 25 GLN CA 1 25 GLN CB 1 25 GLN CG parsed_1t1p 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 -140.000 . 1 38 LEU N 1 38 LEU CA 1 38 LEU CB 1 38 LEU CG parsed_1t1p 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.000 100.000 . 1 12 SER N 1 12 SER CA 1 12 SER CB 1 12 SER OG parsed_1t1p 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.000 100.000 . 1 45 PHE N 1 45 PHE CA 1 45 PHE CB 1 45 PHE CG parsed_1t1p 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_1t1p 1
stop_
save_
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