NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
32538 |
1g9p   |
4923 | cing | recoord | 2-parsed | STAR | dihedral angle | 35 |
data_1g9p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1g9p
_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_1g9p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1g9p
_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 1g9p "Master copy" parsed_1g9p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1g9p
_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 1g9p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 2 distance NOE simple 348 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 4 distance NOE simple 22 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 5 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 6 distance NOE simple 31 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 2 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 8 distance NOE simple 28 parsed_1g9p 1
1 1g9p.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1g9p 1
1 1g9p.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1g9p 1
1 1g9p.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1g9p 1
1 1g9p.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1g9p 1
stop_
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1g9p
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1g9p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1g9p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1g9p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1g9p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1g9p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1g9p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1g9p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1g9p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1g9p 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1g9p 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1g9p 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1g9p 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1g9p 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1g9p 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1g9p 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1g9p 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1g9p 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1g9p 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1g9p 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1g9p 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1g9p 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1g9p 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1g9p 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 90.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1g9p 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg parsed_1g9p 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . n . 6 . ca . 6 . cb . 6 . cg parsed_1g9p 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 13 . n . 13 . ca . 13 . cb . 13 . og parsed_1g9p 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg parsed_1g9p 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_1g9p 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . n . 17 . ca . 17 . cb . 17 . sg parsed_1g9p 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 24 . n . 24 . ca . 24 . cb . 24 . sg parsed_1g9p 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . n . 26 . ca . 26 . cb . 26 . cg parsed_1g9p 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . n . 28 . ca . 28 . cb . 28 . og parsed_1g9p 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . n . 29 . ca . 29 . cb . 29 . sg parsed_1g9p 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 32 . n . 32 . ca . 32 . cb . 32 . og parsed_1g9p 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: -100 +/- 80 (aN weaker than a(i-1)N)
! 2 LEU
;
1 1 2 9 parsed_1g9p 1
2 "! 3 ALA" 5 1 5 9 parsed_1g9p 1
3 "! 4 CYSS" 8 1 8 10 parsed_1g9p 1
4
;
! 13 SER
! assign (resid 12 and name c ) (resid 13 and name n )
! (resid 13 and name ca) (resid 13 and name c ) 1.0 -100.0 80.0 2
! 29 CYSS
;
11 1 15 11 parsed_1g9p 1
5 "! 31 SER" 18 1 18 10 parsed_1g9p 1
6 "! 32 SER" 21 1 21 10 parsed_1g9p 1
7 "! 41 LEU" 24 1 24 10 parsed_1g9p 1
8
;
!Phi restraints: J>9
! 12 SER
;
28 1 30 10 parsed_1g9p 1
9 "! 21 THR" 33 1 33 10 parsed_1g9p 1
10 "! 25 LYS+" 36 1 36 11 parsed_1g9p 1
11
;
! phi restraints: 8
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