NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
511905 |
2yhh   |
17625 | cing | 2-parsed | STAR | dihedral angle | 61 |
data_2yhh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2yhh
_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_2yhh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2yhh
_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 2yhh "Master copy" parsed_2yhh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2yhh
_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 2yhh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 2 distance NOE simple 119 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 3 distance NOE ambi 173 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 5 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 5 distance NOE ambi 8 parsed_2yhh 1
1 2yhh.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_2yhh 1
1 2yhh.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2yhh 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2yhh
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 -25.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG parsed_2yhh 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 45 . N . 45 . CA . 45 . CB . 45 . CG1 parsed_2yhh 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 45 . CA . 45 . CB . 45 . CG1 . 45 . CD1 parsed_2yhh 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_2yhh 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 48 . N . 48 . CA . 48 . CB . 48 . CG parsed_2yhh 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_2yhh 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 54 . N . 54 . CA . 54 . CB . 54 . CG parsed_2yhh 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 55 . N . 55 . CA . 55 . CB . 55 . CG parsed_2yhh 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_2yhh 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 130.0 . . 56 . CA . 56 . CB . 56 . CG . 56 . CD1 parsed_2yhh 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_2yhh 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 58 . N . 58 . CA . 58 . CB . 58 . CG parsed_2yhh 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 59 . N . 59 . CA . 59 . CB . 59 . OG1 parsed_2yhh 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG parsed_2yhh 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 81 . CA . 81 . CB . 81 . CG . 81 . CD parsed_2yhh 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 82 . N . 82 . CA . 82 . CB . 82 . OG1 parsed_2yhh 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 83 . N . 83 . CA . 83 . CB . 83 . CG parsed_2yhh 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 84 . N . 84 . CA . 84 . CB . 84 . CG parsed_2yhh 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 86 . N . 86 . CA . 86 . CB . 86 . CG parsed_2yhh 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O1 . 201 . C1 . 201 . C2 . 201 . C3 parsed_2yhh 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O1 . 201 . C1 . 201 . C2 . 201 . O2 parsed_2yhh 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . C1 . 201 . C2 . 201 . C3 . 201 . C4 parsed_2yhh 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C1 . 201 . C2 . 201 . C3 . 201 . O3 parsed_2yhh 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . O2 . 201 . C2 . 201 . C3 . 201 . C4 parsed_2yhh 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O2 . 201 . C2 . 201 . C3 . 201 . O3 parsed_2yhh 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . C2 . 201 . C3 . 201 . C4 . 201 . C5 parsed_2yhh 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C2 . 201 . C3 . 201 . C4 . 201 . O4 parsed_2yhh 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O3 . 201 . C3 . 201 . C4 . 201 . C5 parsed_2yhh 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O3 . 201 . C3 . 201 . C4 . 201 . O4 parsed_2yhh 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C3 . 201 . C4 . 201 . C5 . 201 . C6 parsed_2yhh 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . C3 . 201 . C4 . 201 . C5 . 201 . O5 parsed_2yhh 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . O4 . 201 . C4 . 201 . C5 . 201 . C6 parsed_2yhh 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O4 . 201 . C4 . 201 . C5 . 201 . O5 parsed_2yhh 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . C4 . 201 . C5 . 201 . C6 . 201 . O6 parsed_2yhh 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O5 . 201 . C5 . 201 . C6 . 201 . O6 parsed_2yhh 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 201 . C4 . 201 . C5 . 201 . O5 . 201 . C1 parsed_2yhh 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . C6 . 201 . C5 . 201 . O5 . 201 . C1 parsed_2yhh 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 201 . O2 . 202 . C1 . 202 . C2 . 202 . C3 parsed_2yhh 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 201 . O2 . 202 . C1 . 202 . C2 . 202 . O2 parsed_2yhh 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . O5 . 202 . C1 . 202 . C2 . 202 . C3 parsed_2yhh 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . O5 . 202 . C1 . 202 . C2 . 202 . O2 parsed_2yhh 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 201 . O2 . 202 . C1 . 202 . O5 . 202 . C5 parsed_2yhh 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C2 . 202 . C1 . 202 . O5 . 202 . C5 parsed_2yhh 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C1 . 202 . C2 . 202 . C3 . 202 . C4 parsed_2yhh 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C1 . 202 . C2 . 202 . C3 . 202 . O3 parsed_2yhh 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . O2 . 202 . C2 . 202 . C3 . 202 . C4 parsed_2yhh 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . O2 . 202 . C2 . 202 . C3 . 202 . O3 parsed_2yhh 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . C2 . 202 . C3 . 202 . C4 . 202 . C5 parsed_2yhh 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C2 . 202 . C3 . 202 . C4 . 202 . O4 parsed_2yhh 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . O3 . 202 . C3 . 202 . C4 . 202 . C5 parsed_2yhh 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . O3 . 202 . C3 . 202 . C4 . 202 . O4 parsed_2yhh 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C3 . 202 . C4 . 202 . C5 . 202 . C6 parsed_2yhh 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C3 . 202 . C4 . 202 . C5 . 202 . O5 parsed_2yhh 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . O4 . 202 . C4 . 202 . C5 . 202 . C6 parsed_2yhh 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . O4 . 202 . C4 . 202 . C5 . 202 . O5 parsed_2yhh 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 202 . C4 . 202 . C5 . 202 . C6 . 202 . O6 parsed_2yhh 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . O5 . 202 . C5 . 202 . C6 . 202 . O6 parsed_2yhh 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 202 . C4 . 202 . C5 . 202 . O5 . 202 . C1 parsed_2yhh 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 202 . C6 . 202 . C5 . 202 . O5 . 202 . C1 parsed_2yhh 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 201 . C1 . 201 . C2 . 201 . O2 . 202 . C1 parsed_2yhh 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 201 . C2 . 201 . O2 . 202 . C1 . 201 . O5 parsed_2yhh 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
;
!Dihedrals for interfacial side chains, MVN-mannobiose
! n44
;
1 1 3 7 parsed_2yhh 1
2
;
!
! i45
;
5 71 6 7 parsed_2yhh 1
3 ! 8 72 8 75 parsed_2yhh 1
4
;
!
! d46
;
10 72 12 7 parsed_2yhh 1
5
;
!
! g47
! e48**
;
14 71 18 10 parsed_2yhh 1
6
;
assign (resid 48 and name CA) (resid 48 and name CB)
(resid 48 and name CG) (resid 48 and name CD) 1.0 -60.0 20.0 2
! d53**
;
21 1 24 9 parsed_2yhh 1
7 "! q54**" 28 1 28 9 parsed_2yhh 1
8
;
assign (resid 54 and name CA ) (resid 54 and name CB)
(resid 54 and name CG) (resid 54 and name CD) 1.0 180.0 20.0 2
! n55
;
31 1 34 7 parsed_2yhh 1
9
;
assign (resid 55 and name CA) (resid 55 and name CB)
(resid 55 and name CG) (resid 55 and name OD1) 1.0 -40.0 20.0 2
! f56
;
37 1 40 7 parsed_2yhh 1
10 "! q57" 47 1 47 7 parsed_2yhh 1
11
;
assign (resid 57 and name CA ) (resid 57 and name CB)
(resid 57 and name CG) (resid 57 and name CD) 1.0 -60.0 40.0 2
assign (resid 57 and name CB) (resid 57 and name CG)
(resid 57 and name CD) (resid 57 and name OE1) 1.0 -20.0 40.0 2
! e58
;
50 1 55 7 parsed_2yhh 1
12
;
assign (resid 58 and name CA) (resid 58 and name CB)
(resid 58 and name CG) (resid 58 and name CD) 1.0 180.0 20.0 2
! t59
;
58 1 61 7 parsed_2yhh 1
13 "! q81" 65 1 65 7 parsed_2yhh 1
14 "! t82" 71 1 71 7 parsed_2yhh 1
15 "! m83**" 75 1 75 9 parsed_2yhh 1
16
;
assign (resid 83 and name CA) (resid 83 and name CB)
(resid 83 and name CG) (resid 83 and name SD) 1.0 180.0 20.0 2
assign (resid 83 and name CB) (resid 83 and name CG)
(resid 83 and name SD) (resid 83 and name CE) 1.0 60.0 20.0 2
! d84**
;
78 1 83 9 parsed_2yhh 1
17
;
! g85
! e86
;
87 1 89 7 parsed_2yhh 1
18
;
assign (resid 86 and name CA) (resid 86 and name CB)
(resid 86 and name CG) (resid 86 and name CD) 1.0 180.0 20.0 2
Dihedrals from topology file, checked by hand
;
92 1 96 47 parsed_2yhh 1
19
;
1-24-01 Dihedrals of Man2 based on NOEs
! Z201
;
219 1 221 13 parsed_2yhh 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 7:00:17 PM GMT (wattos1)