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 |
|
|
492516 |
2kh4   |
16223 | cing | 2-parsed | STAR | dihedral angle | 26 |
data_2kh4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kh4
_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_2kh4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kh4
_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 2kh4 "Master copy" parsed_2kh4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kh4
_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 2kh4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kh4 1
1 2kh4.mr . . AMBER 2 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_2kh4 1
1 2kh4.mr . . AMBER 3 distance NOE simple 0 parsed_2kh4 1
1 2kh4.mr . . PDB 4 coordinate ensemble "Not applicable" 0 parsed_2kh4 1
1 2kh4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kh4 1
stop_
save_
save_AMBER_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kh4
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -10.0 . 2kh4_ambr001 1 DC O3' 2kh4_ambr001 2 DT P 2kh4_ambr001 2 DT O5' 2kh4_ambr001 2 DT C5' parsed_2kh4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -10.0 . 2kh4_ambr001 3 FAG O3' 2kh4_ambr001 4 DA P 2kh4_ambr001 4 DA O5' 2kh4_ambr001 4 DA C5' parsed_2kh4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 280.0 . 2kh4_ambr001 4 DA P 2kh4_ambr001 4 DA O5' 2kh4_ambr001 4 DA C5' 2kh4_ambr001 4 DA C4' parsed_2kh4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . 2kh4_ambr001 1 DC O5' 2kh4_ambr001 1 DC C5' 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC C3' parsed_2kh4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . 2kh4_ambr001 3 FAG O5' 2kh4_ambr001 3 FAG C5' 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG C3' parsed_2kh4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . 2kh4_ambr001 4 DA O5' 2kh4_ambr001 4 DA C5' 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA C3' parsed_2kh4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 30.0 . 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC O3' 2kh4_ambr001 2 DT P parsed_2kh4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 330.0 . 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC O3' 2kh4_ambr001 2 DT P 2kh4_ambr001 2 DT O5' parsed_2kh4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 340.0 . 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC N1 2kh4_ambr001 1 DC C2 parsed_2kh4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 340.0 . 2kh4_ambr001 2 DT O4' 2kh4_ambr001 2 DT C1' 2kh4_ambr001 2 DT N1 2kh4_ambr001 2 DT C2 parsed_2kh4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 340.0 . 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA N9 2kh4_ambr001 4 DA C4 parsed_2kh4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 17.5 . 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC C2' parsed_2kh4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.7 38.5 . 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC C2' 2kh4_ambr001 1 DC C3' parsed_2kh4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 37.9 . 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC C2' 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC C4' parsed_2kh4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 38.5 . 2kh4_ambr001 1 DC C2' 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC O4' parsed_2kh4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.3 38.5 . 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' parsed_2kh4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.7 8.0 . 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG O4' 2kh4_ambr001 3 FAG C1' 2kh4_ambr001 3 FAG C2' parsed_2kh4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 41.4 . 2kh4_ambr001 3 FAG O4' 2kh4_ambr001 3 FAG C1' 2kh4_ambr001 3 FAG C2' 2kh4_ambr001 3 FAG C3' parsed_2kh4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.9 -20.9 . 2kh4_ambr001 3 FAG C1' 2kh4_ambr001 3 FAG C2' 2kh4_ambr001 3 FAG C3' 2kh4_ambr001 3 FAG C4' parsed_2kh4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.9 44.9 . 2kh4_ambr001 3 FAG C2' 2kh4_ambr001 3 FAG C3' 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG O4' parsed_2kh4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.6 1.4 . 2kh4_ambr001 3 FAG C3' 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG O4' 2kh4_ambr001 3 FAG C1' parsed_2kh4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.7 8.0 . 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA C2' parsed_2kh4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 41.4 . 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA C2' 2kh4_ambr001 4 DA C3' parsed_2kh4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.9 -20.9 . 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA C2' 2kh4_ambr001 4 DA C3' 2kh4_ambr001 4 DA C4' parsed_2kh4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.9 44.9 . 2kh4_ambr001 4 DA C2' 2kh4_ambr001 4 DA C3' 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA O4' parsed_2kh4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.6 1.4 . 2kh4_ambr001 4 DA C3' 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' parsed_2kh4 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 "2 THY ALPHA: (1 DC5 O3')-(2 DT P)-(2 DT O5')-(2 DT C5') -120.0 -10.0" 1 1 1 72 parsed_2kh4 1
2 "4 ADE ALPHA: (3 FAG O3')-(4 DA3 P)-(4 DA3 O5')-(4 DA3 C5') -120.0 -10.0" 6 1 6 75 parsed_2kh4 1
3 "4 ADE BETA: (4 DA3 P)-(4 DA3 O5')-(4 DA3 C5')-(4 DA3 C4') 50.0 280.0" 11 1 11 73 parsed_2kh4 1
4 "1 CYT GAMMA: (1 DC5 O5')-(1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3') -20.0 140.0" 16 1 16 76 parsed_2kh4 1
5 "3 GUA GAMMA: (3 FAG O5')-(3 FAG C5')-(3 FAG C4')-(3 FAG C3') -20.0 140.0" 21 1 21 76 parsed_2kh4 1
6 "4 ADE GAMMA: (4 DA3 O5')-(4 DA3 C5')-(4 DA3 C4')-(4 DA3 C3') -20.0 140.0" 26 1 26 76 parsed_2kh4 1
7 "1 CYT EPSILN: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DT P) -210.0 30.0" 31 1 31 75 parsed_2kh4 1
8 "1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DT P)-(2 DT O5') 150.0 330.0" 36 1 36 71 parsed_2kh4 1
9 "1 CYT CHI: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 N1)-(1 DC5 C2) 180.0 340.0" 41 1 41 72 parsed_2kh4 1
10 "2 THY CHI: (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) 180.0 340.0" 46 1 46 68 parsed_2kh4 1
11 "4 ADE CHI: (4 DA3 O4')-(4 DA3 C1')-(4 DA3 N9)-(4 DA3 C4) 180.0 340.0" 51 1 51 72 parsed_2kh4 1
12 "1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -38.5 17.5" 56 1 56 74 parsed_2kh4 1
13 "1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') -26.7 38.5" 61 1 61 74 parsed_2kh4 1
14 "1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -38.5 37.9" 66 1 66 74 parsed_2kh4 1
15 "1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -38.5 38.5" 71 1 71 74 parsed_2kh4 1
16 "1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') -34.3 38.5" 76 1 76 74 parsed_2kh4 1
17 "3 GUA NU0: (3 FAG C4')-(3 FAG O4')-(3 FAG C1')-(3 FAG C2') -23.7 8.0" 81 1 81 74 parsed_2kh4 1
18 "3 GUA NU1: (3 FAG O4')-(3 FAG C1')-(3 FAG C2')-(3 FAG C3') 11.4 41.4" 86 1 86 74 parsed_2kh4 1
19 "3 GUA NU2: (3 FAG C1')-(3 FAG C2')-(3 FAG C3')-(3 FAG C4') -50.9 -20.9" 91 1 91 74 parsed_2kh4 1
20 "3 GUA NU3: (3 FAG C2')-(3 FAG C3')-(3 FAG C4')-(3 FAG O4') 14.9 44.9" 96 1 96 74 parsed_2kh4 1
21 "3 GUA NU4: (3 FAG C3')-(3 FAG C4')-(3 FAG O4')-(3 FAG C1') -28.6 1.4" 101 1 101 74 parsed_2kh4 1
22 "4 ADE NU0: (4 DA3 C4')-(4 DA3 O4')-(4 DA3 C1')-(4 DA3 C2') -23.7 8.0" 106 1 106 74 parsed_2kh4 1
23 "4 ADE NU1: (4 DA3 O4')-(4 DA3 C1')-(4 DA3 C2')-(4 DA3 C3') 11.4 41.4" 111 1 111 74 parsed_2kh4 1
24 "4 ADE NU2: (4 DA3 C1')-(4 DA3 C2')-(4 DA3 C3')-(4 DA3 C4') -50.9 -20.9" 116 1 116 74 parsed_2kh4 1
25 "4 ADE NU3: (4 DA3 C2')-(4 DA3 C3')-(4 DA3 C4')-(4 DA3 O4') 14.9 44.9" 121 1 121 74 parsed_2kh4 1
26 "4 ADE NU4: (4 DA3 C3')-(4 DA3 C4')-(4 DA3 O4')-(4 DA3 C1') -28.6 1.4" 126 1 126 74 parsed_2kh4 1
stop_
save_
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