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 |
|
|
492420 |
2k9o   |
15992 | cing | 2-parsed | STAR | dihedral angle | 35 |
data_2k9o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k9o
_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_2k9o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k9o
_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 2k9o "Master copy" parsed_2k9o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k9o
_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 2k9o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k9o 1
1 2k9o.mr . . AMBER 2 distance NOE simple 455 parsed_2k9o 1
1 2k9o.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 309 parsed_2k9o 1
1 2k9o.mr . . AMBER 4 stereochemistry chirality "Not applicable" 0 parsed_2k9o 1
1 2k9o.mr . . AMBER 5 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_2k9o 1
1 2k9o.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k9o 1
stop_
save_
save_AMBER_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k9o
_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. 190. . 2k9o_ambr001 2 ALA CA 2k9o_ambr001 2 ALA N 2k9o_ambr001 1 ALA C 2k9o_ambr001 1 ALA CA parsed_2k9o 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 3 ALA CA 2k9o_ambr001 3 ALA N 2k9o_ambr001 2 ALA C 2k9o_ambr001 2 ALA CA parsed_2k9o 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 4 ILE CA 2k9o_ambr001 4 ILE N 2k9o_ambr001 3 ALA C 2k9o_ambr001 3 ALA CA parsed_2k9o 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 5 SER CA 2k9o_ambr001 5 SER N 2k9o_ambr001 4 ILE C 2k9o_ambr001 4 ILE CA parsed_2k9o 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 6 CYX CA 2k9o_ambr001 6 CYX N 2k9o_ambr001 5 SER C 2k9o_ambr001 5 SER CA parsed_2k9o 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 7 VAL CA 2k9o_ambr001 7 VAL N 2k9o_ambr001 6 CYX C 2k9o_ambr001 6 CYX CA parsed_2k9o 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 8 GLY CA 2k9o_ambr001 8 GLY N 2k9o_ambr001 7 VAL C 2k9o_ambr001 7 VAL CA parsed_2k9o 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 9 SER CA 2k9o_ambr001 9 SER N 2k9o_ambr001 8 GLY C 2k9o_ambr001 8 GLY CA parsed_2k9o 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 10 PRO CA 2k9o_ambr001 10 PRO N 2k9o_ambr001 9 SER C 2k9o_ambr001 9 SER CA parsed_2k9o 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 11 GLU CA 2k9o_ambr001 11 GLU N 2k9o_ambr001 10 PRO C 2k9o_ambr001 10 PRO CA parsed_2k9o 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 12 CYX CA 2k9o_ambr001 12 CYX N 2k9o_ambr001 11 GLU C 2k9o_ambr001 11 GLU CA parsed_2k9o 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 13 PRO CA 2k9o_ambr001 13 PRO N 2k9o_ambr001 12 CYX C 2k9o_ambr001 12 CYX CA parsed_2k9o 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 14 PRO CA 2k9o_ambr001 14 PRO N 2k9o_ambr001 13 PRO C 2k9o_ambr001 13 PRO CA parsed_2k9o 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 15 LYS CA 2k9o_ambr001 15 LYS N 2k9o_ambr001 14 PRO C 2k9o_ambr001 14 PRO CA parsed_2k9o 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 16 CYX CA 2k9o_ambr001 16 CYX N 2k9o_ambr001 15 LYS C 2k9o_ambr001 15 LYS CA parsed_2k9o 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 17 ARG CA 2k9o_ambr001 17 ARG N 2k9o_ambr001 16 CYX C 2k9o_ambr001 16 CYX CA parsed_2k9o 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 18 ALA CA 2k9o_ambr001 18 ALA N 2k9o_ambr001 17 ARG C 2k9o_ambr001 17 ARG CA parsed_2k9o 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 19 GLN CA 2k9o_ambr001 19 GLN N 2k9o_ambr001 18 ALA C 2k9o_ambr001 18 ALA CA parsed_2k9o 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 20 GLY CA 2k9o_ambr001 20 GLY N 2k9o_ambr001 19 GLN C 2k9o_ambr001 19 GLN CA parsed_2k9o 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 21 CYX CA 2k9o_ambr001 21 CYX N 2k9o_ambr001 20 GLY C 2k9o_ambr001 20 GLY CA parsed_2k9o 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 22 LYS CA 2k9o_ambr001 22 LYS N 2k9o_ambr001 21 CYX C 2k9o_ambr001 21 CYX CA parsed_2k9o 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 23 ASN CA 2k9o_ambr001 23 ASN N 2k9o_ambr001 22 LYS C 2k9o_ambr001 22 LYS CA parsed_2k9o 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 24 GLY CA 2k9o_ambr001 24 GLY N 2k9o_ambr001 23 ASN C 2k9o_ambr001 23 ASN CA parsed_2k9o 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 25 LYS CA 2k9o_ambr001 25 LYS N 2k9o_ambr001 24 GLY C 2k9o_ambr001 24 GLY CA parsed_2k9o 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 26 CYX CA 2k9o_ambr001 26 CYX N 2k9o_ambr001 25 LYS C 2k9o_ambr001 25 LYS CA parsed_2k9o 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 27 MET CA 2k9o_ambr001 27 MET N 2k9o_ambr001 26 CYX C 2k9o_ambr001 26 CYX CA parsed_2k9o 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 28 ASN CA 2k9o_ambr001 28 ASN N 2k9o_ambr001 27 MET C 2k9o_ambr001 27 MET CA parsed_2k9o 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 29 ARG CA 2k9o_ambr001 29 ARG N 2k9o_ambr001 28 ASN C 2k9o_ambr001 28 ASN CA parsed_2k9o 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 30 LYS CA 2k9o_ambr001 30 LYS N 2k9o_ambr001 29 ARG C 2k9o_ambr001 29 ARG CA parsed_2k9o 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 31 CYX CA 2k9o_ambr001 31 CYX N 2k9o_ambr001 30 LYS C 2k9o_ambr001 30 LYS CA parsed_2k9o 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 32 LYS CA 2k9o_ambr001 32 LYS N 2k9o_ambr001 31 CYX C 2k9o_ambr001 31 CYX CA parsed_2k9o 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 33 CYX CA 2k9o_ambr001 33 CYX N 2k9o_ambr001 32 LYS C 2k9o_ambr001 32 LYS CA parsed_2k9o 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 34 TYR CA 2k9o_ambr001 34 TYR N 2k9o_ambr001 33 CYX C 2k9o_ambr001 33 CYX CA parsed_2k9o 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 35 TYR CA 2k9o_ambr001 35 TYR N 2k9o_ambr001 34 TYR C 2k9o_ambr001 34 TYR CA parsed_2k9o 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2k9o_ambr001 36 CYX CA 2k9o_ambr001 36 CYX N 2k9o_ambr001 35 TYR C 2k9o_ambr001 35 TYR CA parsed_2k9o 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 2 40 parsed_2k9o 1
2 "trans-omega constraint for residue 3" 5 1 6 40 parsed_2k9o 1
3 "trans-omega constraint for residue 4" 8 1 9 40 parsed_2k9o 1
4 "trans-omega constraint for residue 5" 11 1 12 40 parsed_2k9o 1
5 "trans-omega constraint for residue 6" 14 1 15 40 parsed_2k9o 1
6 "trans-omega constraint for residue 7" 17 1 18 40 parsed_2k9o 1
7 "trans-omega constraint for residue 8" 20 1 21 40 parsed_2k9o 1
8 "trans-omega constraint for residue 9" 23 1 24 40 parsed_2k9o 1
9 "trans-omega constraint for residue 10" 26 1 27 41 parsed_2k9o 1
10 "trans-omega constraint for residue 11" 29 1 30 41 parsed_2k9o 1
11 "trans-omega constraint for residue 12" 32 1 33 41 parsed_2k9o 1
12 "trans-omega constraint for residue 13" 35 1 36 41 parsed_2k9o 1
13 "trans-omega constraint for residue 14" 38 1 39 41 parsed_2k9o 1
14 "trans-omega constraint for residue 15" 41 1 42 41 parsed_2k9o 1
15 "trans-omega constraint for residue 16" 44 1 45 41 parsed_2k9o 1
16 "trans-omega constraint for residue 17" 47 1 48 41 parsed_2k9o 1
17 "trans-omega constraint for residue 18" 50 1 51 41 parsed_2k9o 1
18 "trans-omega constraint for residue 19" 53 1 54 41 parsed_2k9o 1
19 "trans-omega constraint for residue 20" 56 1 57 41 parsed_2k9o 1
20 "trans-omega constraint for residue 21" 59 1 60 41 parsed_2k9o 1
21 "trans-omega constraint for residue 22" 62 1 63 41 parsed_2k9o 1
22 "trans-omega constraint for residue 23" 65 1 66 41 parsed_2k9o 1
23 "trans-omega constraint for residue 24" 68 1 69 41 parsed_2k9o 1
24 "trans-omega constraint for residue 25" 71 1 72 41 parsed_2k9o 1
25 "trans-omega constraint for residue 26" 74 1 75 41 parsed_2k9o 1
26 "trans-omega constraint for residue 27" 77 1 78 41 parsed_2k9o 1
27 "trans-omega constraint for residue 28" 80 1 81 41 parsed_2k9o 1
28 "trans-omega constraint for residue 29" 83 1 84 41 parsed_2k9o 1
29 "trans-omega constraint for residue 30" 86 1 87 41 parsed_2k9o 1
30 "trans-omega constraint for residue 31" 89 1 90 41 parsed_2k9o 1
31 "trans-omega constraint for residue 32" 92 1 93 41 parsed_2k9o 1
32 "trans-omega constraint for residue 33" 95 1 96 41 parsed_2k9o 1
33 "trans-omega constraint for residue 34" 98 1 99 41 parsed_2k9o 1
34 "trans-omega constraint for residue 35" 101 1 102 41 parsed_2k9o 1
35 "trans-omega constraint for residue 36" 104 1 105 41 parsed_2k9o 1
stop_
save_
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