NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
527937 |
2l9i   |
17458 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_2l9i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l9i
_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_2l9i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l9i
_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 2l9i "Master copy" parsed_2l9i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l9i
_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 2l9i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l9i 1
1 2l9i.mr . . AMBER 2 distance NOE simple 411 parsed_2l9i 1
1 2l9i.mr . . AMBER 3 stereochemistry chirality "Not applicable" 0 parsed_2l9i 1
1 2l9i.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_2l9i 1
1 2l9i.mr . . AMBER 5 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_2l9i 1
1 2l9i.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l9i 1
stop_
save_
save_AMBER_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l9i
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 11 GLU C 2l9i_ambr001 12 ILE N 2l9i_ambr001 12 ILE CA 2l9i_ambr001 12 ILE C parsed_2l9i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 12 ILE N 2l9i_ambr001 12 ILE CA 2l9i_ambr001 12 ILE C 2l9i_ambr001 13 THR N parsed_2l9i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 12 ILE C 2l9i_ambr001 13 THR N 2l9i_ambr001 13 THR CA 2l9i_ambr001 13 THR C parsed_2l9i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 13 THR N 2l9i_ambr001 13 THR CA 2l9i_ambr001 13 THR C 2l9i_ambr001 14 THR N parsed_2l9i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 13 THR C 2l9i_ambr001 14 THR N 2l9i_ambr001 14 THR CA 2l9i_ambr001 14 THR C parsed_2l9i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 14 THR N 2l9i_ambr001 14 THR CA 2l9i_ambr001 14 THR C 2l9i_ambr001 15 LYS N parsed_2l9i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 14 THR C 2l9i_ambr001 15 LYS N 2l9i_ambr001 15 LYS CA 2l9i_ambr001 15 LYS C parsed_2l9i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 15 LYS N 2l9i_ambr001 15 LYS CA 2l9i_ambr001 15 LYS C 2l9i_ambr001 16 ASP N parsed_2l9i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 15 LYS C 2l9i_ambr001 16 ASP N 2l9i_ambr001 16 ASP CA 2l9i_ambr001 16 ASP C parsed_2l9i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 16 ASP N 2l9i_ambr001 16 ASP CA 2l9i_ambr001 16 ASP C 2l9i_ambr001 17 LEU N parsed_2l9i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 16 ASP C 2l9i_ambr001 17 LEU N 2l9i_ambr001 17 LEU CA 2l9i_ambr001 17 LEU C parsed_2l9i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 17 LEU N 2l9i_ambr001 17 LEU CA 2l9i_ambr001 17 LEU C 2l9i_ambr001 18 LYS N parsed_2l9i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 17 LEU C 2l9i_ambr001 18 LYS N 2l9i_ambr001 18 LYS CA 2l9i_ambr001 18 LYS C parsed_2l9i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 18 LYS N 2l9i_ambr001 18 LYS CA 2l9i_ambr001 18 LYS C 2l9i_ambr001 19 GLU N parsed_2l9i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 18 LYS C 2l9i_ambr001 19 GLU N 2l9i_ambr001 19 GLU CA 2l9i_ambr001 19 GLU C parsed_2l9i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 19 GLU N 2l9i_ambr001 19 GLU CA 2l9i_ambr001 19 GLU C 2l9i_ambr001 20 LYS N parsed_2l9i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 19 GLU C 2l9i_ambr001 20 LYS N 2l9i_ambr001 20 LYS CA 2l9i_ambr001 20 LYS C parsed_2l9i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 20 LYS N 2l9i_ambr001 20 LYS CA 2l9i_ambr001 20 LYS C 2l9i_ambr001 21 LYS N parsed_2l9i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 20 LYS C 2l9i_ambr001 21 LYS N 2l9i_ambr001 21 LYS CA 2l9i_ambr001 21 LYS C parsed_2l9i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 21 LYS N 2l9i_ambr001 21 LYS CA 2l9i_ambr001 21 LYS C 2l9i_ambr001 22 GLU N parsed_2l9i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 21 LYS C 2l9i_ambr001 22 GLU N 2l9i_ambr001 22 GLU CA 2l9i_ambr001 22 GLU C parsed_2l9i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 22 GLU N 2l9i_ambr001 22 GLU CA 2l9i_ambr001 22 GLU C 2l9i_ambr001 23 VAL N parsed_2l9i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 22 GLU C 2l9i_ambr001 23 VAL N 2l9i_ambr001 23 VAL CA 2l9i_ambr001 23 VAL C parsed_2l9i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 23 VAL N 2l9i_ambr001 23 VAL CA 2l9i_ambr001 23 VAL C 2l9i_ambr001 24 VAL N parsed_2l9i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 23 VAL C 2l9i_ambr001 24 VAL N 2l9i_ambr001 24 VAL CA 2l9i_ambr001 24 VAL C parsed_2l9i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 24 VAL N 2l9i_ambr001 24 VAL CA 2l9i_ambr001 24 VAL C 2l9i_ambr001 25 GLU N parsed_2l9i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 24 VAL C 2l9i_ambr001 25 GLU N 2l9i_ambr001 25 GLU CA 2l9i_ambr001 25 GLU C parsed_2l9i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 25 GLU N 2l9i_ambr001 25 GLU CA 2l9i_ambr001 25 GLU C 2l9i_ambr001 26 GLU N parsed_2l9i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 25 GLU C 2l9i_ambr001 26 GLU N 2l9i_ambr001 26 GLU CA 2l9i_ambr001 26 GLU C parsed_2l9i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 26 GLU N 2l9i_ambr001 26 GLU CA 2l9i_ambr001 26 GLU C 2l9i_ambr001 27 ALA N parsed_2l9i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 26 GLU C 2l9i_ambr001 27 ALA N 2l9i_ambr001 27 ALA CA 2l9i_ambr001 27 ALA C parsed_2l9i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 27 ALA N 2l9i_ambr001 27 ALA CA 2l9i_ambr001 27 ALA C 2l9i_ambr001 28 GLU N parsed_2l9i 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 270.0 330.0 . 2l9i_ambr001 27 ALA C 2l9i_ambr001 28 GLU N 2l9i_ambr001 28 GLU CA 2l9i_ambr001 28 GLU C parsed_2l9i 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 285.0 345.0 . 2l9i_ambr001 28 GLU N 2l9i_ambr001 28 GLU CA 2l9i_ambr001 28 GLU C 2l9i_ambr001 29 ASN N parsed_2l9i 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
;
ALPHA HELIX PHI/PSI RESTRAINTS FOR RESIDUES 12 - 28
helix phi for residue 12
12 ILE PHI: (11 GLU C)-(12 ILE N)-(12 ILE CA)-(12 ILE C) 270.0 330.0
;
1 1 4 72 parsed_2l9i 1
2
;
helix psi for residue 12
12 ILE PSI: (12 ILE N)-(12 ILE CA)-(12 ILE C)-(13 THR N) 285.0 345.0
;
9 1 10 72 parsed_2l9i 1
3
;
helix phi for residue 13
13 THR PHI: (12 ILE C)-(13 THR N)-(13 THR CA)-(13 THR C) 270.0 330.0
;
15 1 16 72 parsed_2l9i 1
4
;
helix psi for residue 13
13 THR PSI: (13 THR N)-(13 THR CA)-(13 THR C)-(14 THR N) 285.0 345.0
;
21 1 22 72 parsed_2l9i 1
5
;
helix phi for residue 14
14 THR PHI: (13 THR C)-(14 THR N)-(14 THR CA)-(14 THR C) 270.0 330.0
;
27 1 28 72 parsed_2l9i 1
6
;
helix psi for residue 14
14 THR PSI: (14 THR N)-(14 THR CA)-(14 THR C)-(15 LYS N) 285.0 345.0
;
33 1 34 72 parsed_2l9i 1
7
;
helix phi for residue 15
15 LYS PHI: (14 THR C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) 270.0 330.0
;
39 1 40 72 parsed_2l9i 1
8
;
helix psi for residue 15
15 LYS PSI: (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 ASP N) 285.0 345.0
;
45 1 46 72 parsed_2l9i 1
9
;
helix phi for residue 16
16 ASP PHI: (15 LYS C)-(16 ASP N)-(16 ASP CA)-(16 ASP C) 270.0 330.0
;
51 1 52 72 parsed_2l9i 1
10
;
helix psi for residue 16
16 ASP PSI: (16 ASP N)-(16 ASP CA)-(16 ASP C)-(17 LEU N) 285.0 345.0
;
57 1 58 72 parsed_2l9i 1
11
;
helix phi for residue 17
17 LEU PHI: (16 ASP C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) 270.0 330.0
;
63 1 64 72 parsed_2l9i 1
12
;
helix psi for residue 17
17 LEU PSI: (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 LYS N) 285.0 345.0
;
69 1 70 72 parsed_2l9i 1
13
;
helix phi for residue 18
18 LYS PHI: (17 LEU C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) 270.0 330.0
;
75 1 76 72 parsed_2l9i 1
14
;
helix psi for residue 18
18 LYS PSI: (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 GLU N) 285.0 345.0
;
81 1 82 72 parsed_2l9i 1
15
;
helix phi for residue 19
19 GLU PHI: (18 LYS C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) 270.0 330.0
;
87 1 88 72 parsed_2l9i 1
16
;
helix psi for residue 19
19 GLU PSI: (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 LYS N) 285.0 345.0
;
93 1 94 72 parsed_2l9i 1
17
;
helix phi for residue 20
20 LYS PHI: (19 GLU C)-(20 LYS N)-(20 LYS CA)-(20 LYS C) 270.0 330.0
;
99 1 100 72 parsed_2l9i 1
18
;
helix psi for residue 20
20 LYS PSI: (20 LYS N)-(20 LYS CA)-(20 LYS C)-(21 LYS N) 285.0 345.0
;
105 1 106 72 parsed_2l9i 1
19
;
helix phi for residue 21
21 LYS PHI: (20 LYS C)-(21 LYS N)-(21 LYS CA)-(21 LYS C) 270.0 330.0
;
111 1 112 72 parsed_2l9i 1
20
;
helix psi for residue 21
21 LYS PSI: (21 LYS N)-(21 LYS CA)-(21 LYS C)-(22 GLU N) 285.0 345.0
;
117 1 118 72 parsed_2l9i 1
21
;
helix phi for residue 22
22 GLU PHI: (21 LYS C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) 270.0 330.0
;
123 1 124 72 parsed_2l9i 1
22
;
helix psi for residue 22
22 GLU PSI: (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 VAL N) 285.0 345.0
;
129 1 130 72 parsed_2l9i 1
23
;
helix phi for residue 23
23 VAL PHI: (22 GLU C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) 270.0 330.0
;
135 1 136 72 parsed_2l9i 1
24
;
helix psi for residue 23
23 VAL PSI: (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 VAL N) 285.0 345.0
;
141 1 142 72 parsed_2l9i 1
25
;
helix phi for residue 24
24 VAL PHI: (23 VAL C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) 270.0 330.0
;
147 1 148 72 parsed_2l9i 1
26
;
helix psi for residue 24
24 VAL PSI: (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 GLU N) 285.0 345.0
;
153 1 154 72 parsed_2l9i 1
27
;
helix phi for residue 25
25 GLU PHI: (24 VAL C)-(25 GLU N)-(25 GLU CA)-(25 GLU C) 270.0 330.0
;
159 1 160 72 parsed_2l9i 1
28
;
helix psi for residue 25
25 GLU PSI: (25 GLU N)-(25 GLU CA)-(25 GLU C)-(26 GLU N) 285.0 345.0
;
165 1 166 72 parsed_2l9i 1
29
;
helix phi for residue 26
26 GLU PHI: (25 GLU C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) 270.0 330.0
;
171 1 172 72 parsed_2l9i 1
30
;
helix psi for residue 26
26 GLU PSI: (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 ALA N) 285.0 345.0
;
177 1 178 72 parsed_2l9i 1
31
;
helix phi for residue 27
27 ALA PHI: (26 GLU C)-(27 ALA N)-(27 ALA CA)-(27 ALA C) 270.0 330.0
;
183 1 184 72 parsed_2l9i 1
32
;
helix psi for residue 27
27 ALA PSI: (27 ALA N)-(27 ALA CA)-(27 ALA C)-(28 GLU N) 285.0 345.0
;
189 1 190 72 parsed_2l9i 1
33
;
helix phi for residue 28
28 GLU PHI: (27 ALA C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) 270.0 330.0
;
195 1 196 72 parsed_2l9i 1
34
;
helix psi for residue 28
28 GLU PSI: (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 ASN N) 285.0 345.0
;
201 1 202 72 parsed_2l9i 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 7:01:34 AM GMT (wattos1)