Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
280095 | 2kit RC | 16295 | cing | 2-parsed | STAR | dihedral angle | 57 |
data_2kit_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kit
_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_2kit 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kit
_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 2kit "Master copy" parsed_2kit
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kit
_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 2kit.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kit 1
1 2kit.mr . . XPLOR/CNS 2 distance NOE ambi 1167 parsed_2kit 1
1 2kit.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_2kit 1
1 2kit.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kit 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kit
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2kit 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2kit 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2kit 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2kit 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2kit 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2kit 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2kit 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2kit 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2kit 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2kit 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2kit 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2kit 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2kit 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2kit 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2kit 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2kit 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2kit 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2kit 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2kit 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2kit 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -10.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2kit 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 7 . N A 7 . CA A 7 . C A 8 . N parsed_2kit 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 8 . N A 8 . CA A 8 . C A 9 . N parsed_2kit 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 9 . N A 9 . CA A 9 . C A 10 . N parsed_2kit 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 10 . N A 10 . CA A 10 . C A 11 . N parsed_2kit 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 11 . N A 11 . CA A 11 . C A 12 . N parsed_2kit 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 12 . N A 12 . CA A 12 . C A 13 . N parsed_2kit 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 13 . N A 13 . CA A 13 . C A 14 . N parsed_2kit 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 14 . N A 14 . CA A 14 . C A 15 . N parsed_2kit 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 16 . N A 16 . CA A 16 . C A 17 . N parsed_2kit 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 17 . N A 17 . CA A 17 . C A 18 . N parsed_2kit 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 18 . N A 18 . CA A 18 . C A 19 . N parsed_2kit 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 19 . N A 19 . CA A 19 . C A 20 . N parsed_2kit 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 20 . N A 20 . CA A 20 . C A 21 . N parsed_2kit 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 21 . N A 21 . CA A 21 . C A 22 . N parsed_2kit 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 22 . N A 22 . CA A 22 . C A 23 . N parsed_2kit 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 23 . N A 23 . CA A 23 . C A 24 . N parsed_2kit 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 24 . N A 24 . CA A 24 . C A 25 . N parsed_2kit 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 25 . N A 25 . CA A 25 . C A 26 . N parsed_2kit 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . A 26 . N A 26 . CA A 26 . C A 27 . N parsed_2kit 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 30 . N A 30 . CA A 30 . C A 31 . N parsed_2kit 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG parsed_2kit 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . CG parsed_2kit 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_2kit 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG1 parsed_2kit 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 17 . N . 17 . CA . 17 . CB . 17 . OG1 parsed_2kit 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 18 . N . 18 . CA . 18 . CB . 18 . OG parsed_2kit 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG1 parsed_2kit 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_2kit 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_2kit 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . N . 24 . CA . 24 . CB . 24 . CG parsed_2kit 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_2kit 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_2kit 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG1 parsed_2kit 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 30 . N . 30 . CA . 30 . CB . 30 . SG parsed_2kit 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_2kit 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_2kit 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 "! phi restraints based on Ca-csi: >= 1 = alpha helica, & alpha-helical specific noes" 1 1 1 86 parsed_2kit 1
2 "! phi restrained corresponding to a b-sheet conformation" 58 92 60 58 parsed_2kit 1
3 "! phi restrained to left side of ramachandran plot, based on the 1st calc structures" 63 93 66 86 parsed_2kit 1
4 "! psi restraints" 69 90 71 18 parsed_2kit 1
5 "! b-sheet" 129 1 129 11 parsed_2kit 1
6 "! chi1 restraints for y1fatcox based on 3Jab, 3Jnb2/3 & 15N-/13C-NOE, aro-hncg/hncocg, cgco/cgcn" 135 1 135 98 parsed_2kit 1
7
;
assign (resid 23 and name N) (resid 23 and name CA)
(resid 23 and name CB) (resid 23 and name SG) 1.0 180.0 30.0 2
;
164 1 165 94 parsed_2kit 1
stop_
save_