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 |
|
|
492457 |
2kbu   |
cing | 2-parsed | STAR | dihedral angle | 30 |
data_2kbu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kbu
_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_2kbu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kbu
_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 2kbu "Master copy" parsed_2kbu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kbu
_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 2kbu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kbu 1
1 2kbu.mr . . AMBER 2 distance NOE simple 201 parsed_2kbu 1
1 2kbu.mr . . AMBER 3 stereochemistry chirality "Not applicable" 0 parsed_2kbu 1
1 2kbu.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_2kbu 1
1 2kbu.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kbu 1
stop_
save_
save_AMBER_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kbu
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170. 190. . 2kbu_ambr001 2 LEU CA 2kbu_ambr001 2 LEU N 2kbu_ambr001 1 LYS C 2kbu_ambr001 1 LYS CA parsed_2kbu 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 3 PRO CA 2kbu_ambr001 3 PRO N 2kbu_ambr001 2 LEU C 2kbu_ambr001 2 LEU CA parsed_2kbu 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 4 PRO CA 2kbu_ambr001 4 PRO N 2kbu_ambr001 3 PRO C 2kbu_ambr001 3 PRO CA parsed_2kbu 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 5 GLY CA 2kbu_ambr001 5 GLY N 2kbu_ambr001 4 PRO C 2kbu_ambr001 4 PRO CA parsed_2kbu 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 6 TRP CA 2kbu_ambr001 6 TRP N 2kbu_ambr001 5 GLY C 2kbu_ambr001 5 GLY CA parsed_2kbu 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 7 GLU CA 2kbu_ambr001 7 GLU N 2kbu_ambr001 6 TRP C 2kbu_ambr001 6 TRP CA parsed_2kbu 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 8 LYS CA 2kbu_ambr001 8 LYS N 2kbu_ambr001 7 GLU C 2kbu_ambr001 7 GLU CA parsed_2kbu 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 9 ARG CA 2kbu_ambr001 9 ARG N 2kbu_ambr001 8 LYS C 2kbu_ambr001 8 LYS CA parsed_2kbu 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 10 MET CA 2kbu_ambr001 10 MET N 2kbu_ambr001 9 ARG C 2kbu_ambr001 9 ARG CA parsed_2kbu 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 11 SER CA 2kbu_ambr001 11 SER N 2kbu_ambr001 10 MET C 2kbu_ambr001 10 MET CA parsed_2kbu 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 12 CFA CA 2kbu_ambr001 12 CFA N 2kbu_ambr001 11 SER C 2kbu_ambr001 11 SER CA parsed_2kbu 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 13 ARG CA 2kbu_ambr001 13 ARG N 2kbu_ambr001 12 CFA C 2kbu_ambr001 12 CFA CA parsed_2kbu 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 14 VAL CA 2kbu_ambr001 14 VAL N 2kbu_ambr001 13 ARG C 2kbu_ambr001 13 ARG CA parsed_2kbu 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 15 TYR CA 2kbu_ambr001 15 TYR N 2kbu_ambr001 14 VAL C 2kbu_ambr001 14 VAL CA parsed_2kbu 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 16 TYR CA 2kbu_ambr001 16 TYR N 2kbu_ambr001 15 TYR C 2kbu_ambr001 15 TYR CA parsed_2kbu 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 17 PHE CA 2kbu_ambr001 17 PHE N 2kbu_ambr001 16 TYR C 2kbu_ambr001 16 TYR CA parsed_2kbu 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 18 ASN CA 2kbu_ambr001 18 ASN N 2kbu_ambr001 17 PHE C 2kbu_ambr001 17 PHE CA parsed_2kbu 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 19 HIP CA 2kbu_ambr001 19 HIP N 2kbu_ambr001 18 ASN C 2kbu_ambr001 18 ASN CA parsed_2kbu 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 20 ILE CA 2kbu_ambr001 20 ILE N 2kbu_ambr001 19 HIP C 2kbu_ambr001 19 HIP CA parsed_2kbu 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 21 THR CA 2kbu_ambr001 21 THR N 2kbu_ambr001 20 ILE C 2kbu_ambr001 20 ILE CA parsed_2kbu 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 22 ASN CA 2kbu_ambr001 22 ASN N 2kbu_ambr001 21 THR C 2kbu_ambr001 21 THR CA parsed_2kbu 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 23 ALA CA 2kbu_ambr001 23 ALA N 2kbu_ambr001 22 ASN C 2kbu_ambr001 22 ASN CA parsed_2kbu 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 24 SER CA 2kbu_ambr001 24 SER N 2kbu_ambr001 23 ALA C 2kbu_ambr001 23 ALA CA parsed_2kbu 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 25 GLN CA 2kbu_ambr001 25 GLN N 2kbu_ambr001 24 SER C 2kbu_ambr001 24 SER CA parsed_2kbu 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 26 PHE CA 2kbu_ambr001 26 PHE N 2kbu_ambr001 25 GLN C 2kbu_ambr001 25 GLN CA parsed_2kbu 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 27 GLU CA 2kbu_ambr001 27 GLU N 2kbu_ambr001 26 PHE C 2kbu_ambr001 26 PHE CA parsed_2kbu 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 28 ARG CA 2kbu_ambr001 28 ARG N 2kbu_ambr001 27 GLU C 2kbu_ambr001 27 GLU CA parsed_2kbu 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 29 PRO CA 2kbu_ambr001 29 PRO N 2kbu_ambr001 28 ARG C 2kbu_ambr001 28 ARG CA parsed_2kbu 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 30 SER CA 2kbu_ambr001 30 SER N 2kbu_ambr001 29 PRO C 2kbu_ambr001 29 PRO CA parsed_2kbu 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2kbu_ambr001 31 GLY CA 2kbu_ambr001 31 GLY N 2kbu_ambr001 30 SER C 2kbu_ambr001 30 SER CA parsed_2kbu 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 "trans-omega constraint for residue 2" 1 1 1 40 parsed_2kbu 1
2 "trans-omega constraint for residue 3" 4 1 5 40 parsed_2kbu 1
3 "trans-omega constraint for residue 4" 7 1 8 40 parsed_2kbu 1
4 "trans-omega constraint for residue 5" 10 1 11 40 parsed_2kbu 1
5 "trans-omega constraint for residue 6" 13 1 14 40 parsed_2kbu 1
6 "trans-omega constraint for residue 7" 16 1 17 40 parsed_2kbu 1
7 "trans-omega constraint for residue 8" 19 1 20 40 parsed_2kbu 1
8 "trans-omega constraint for residue 9" 22 1 23 40 parsed_2kbu 1
9 "trans-omega constraint for residue 10" 25 1 26 41 parsed_2kbu 1
10 "trans-omega constraint for residue 11" 28 1 29 41 parsed_2kbu 1
11 "trans-omega constraint for residue 12" 31 1 32 41 parsed_2kbu 1
12 "trans-omega constraint for residue 13" 34 1 35 41 parsed_2kbu 1
13 "trans-omega constraint for residue 14" 37 1 38 41 parsed_2kbu 1
14 "trans-omega constraint for residue 15" 40 1 41 41 parsed_2kbu 1
15 "trans-omega constraint for residue 16" 43 1 44 41 parsed_2kbu 1
16 "trans-omega constraint for residue 17" 46 1 47 41 parsed_2kbu 1
17 "trans-omega constraint for residue 18" 49 1 50 41 parsed_2kbu 1
18 "trans-omega constraint for residue 19" 52 1 53 41 parsed_2kbu 1
19 "trans-omega constraint for residue 20" 55 1 56 41 parsed_2kbu 1
20 "trans-omega constraint for residue 21" 58 1 59 41 parsed_2kbu 1
21 "trans-omega constraint for residue 22" 61 1 62 41 parsed_2kbu 1
22 "trans-omega constraint for residue 23" 64 1 65 41 parsed_2kbu 1
23 "trans-omega constraint for residue 24" 67 1 68 41 parsed_2kbu 1
24 "trans-omega constraint for residue 25" 70 1 71 41 parsed_2kbu 1
25 "trans-omega constraint for residue 26" 73 1 74 41 parsed_2kbu 1
26 "trans-omega constraint for residue 27" 76 1 77 41 parsed_2kbu 1
27 "trans-omega constraint for residue 28" 79 1 80 41 parsed_2kbu 1
28 "trans-omega constraint for residue 29" 82 1 83 41 parsed_2kbu 1
29 "trans-omega constraint for residue 30" 85 1 86 41 parsed_2kbu 1
30 "trans-omega constraint for residue 31" 88 1 89 41 parsed_2kbu 1
stop_
save_
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