Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
538892 | 2lew RC | 17731 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_2lew_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lew
_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_2lew 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lew
_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 2lew "Master copy" parsed_2lew
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lew
_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 2lew.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lew 1
1 2lew.mr . . XPLOR/CNS 2 distance NOE simple 199 parsed_2lew 1
1 2lew.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_2lew 1
1 2lew.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2lew 1
1 2lew.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lew 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lew
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lew 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lew 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lew 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lew 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lew 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lew 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lew 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lew 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lew 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lew 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lew 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2lew 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2lew 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2lew 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lew 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lew 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lew 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2lew 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2lew 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lew 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . SG parsed_2lew 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2lew 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2lew 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 210.0 . . 6 . N . 6 . CA . 6 . CB . 6 . SG parsed_2lew 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_2lew 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_2lew 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_2lew 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2lew 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . N . 28 . CA . 28 . CB . 28 . SG parsed_2lew 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_2lew 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 angles
! LEU 3
;
1 1 2 14 parsed_2lew 1
2 "! Cys" 5 2 5 11 parsed_2lew 1
3 "! Tyr 5" 8 2 8 14 parsed_2lew 1
4 "! CYS 6" 11 2 11 13 parsed_2lew 1
5 "! Arg 7" 14 2 14 13 parsed_2lew 1
6 "! Lys 8" 17 2 17 13 parsed_2lew 1
7 "! His 10" 20 2 20 15 parsed_2lew 1
8
;
! Cys 11
assign (resid 10 and name C ) (resid 11 and name N )
(resid 11 and name CA) (resid 11 and name C ) 1 -100.0 80.0 2
! Lys 12
;
23 2 26 15 parsed_2lew 1
9
;
! Arg 13
assign (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA) (resid 13 and name C ) 1 -120.0 30.0 2
! Arg 16
;
29 2 32 14 parsed_2lew 1
10 "! Val 17" 35 2 35 15 parsed_2lew 1
11 "! Arg 18" 38 2 38 15 parsed_2lew 1
12 "! Thr 20" 41 2 41 15 parsed_2lew 1
13 "! Cys 21" 44 2 44 16 parsed_2lew 1
14 "! Ile 23" 47 2 47 15 parsed_2lew 1
15
;
! Arg 24
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA) (resid 24 and name C ) 1 -100.0 80.0 2
! Phe 25
;
50 2 53 14 parsed_2lew 1
16 "! Leu 26" 56 2 56 14 parsed_2lew 1
17 "! Tyr 27" 59 2 59 14 parsed_2lew 1
18 "! Cys 28" 62 2 62 14 parsed_2lew 1
19 "! Cys 29" 65 2 65 14 parsed_2lew 1
20 "! Arg 31" 68 2 68 14 parsed_2lew 1
21
;
chi Angles
! Cys 4
;
70 83 74 14 parsed_2lew 1
22 "! Tyr 5" 77 2 77 15 parsed_2lew 1
23 "! Lys 8" 80 3 80 15 parsed_2lew 1
24 "! Cys 6" 83 2 83 14 parsed_2lew 1
25 "! Cys 11" 86 2 86 16 parsed_2lew 1
26 "! Phe 25" 89 3 89 17 parsed_2lew 1
27 "! Leu 26" 92 3 92 16 parsed_2lew 1
28 "! Tyr 27" 95 3 95 16 parsed_2lew 1
29 "! Cys 28" 98 2 98 16 parsed_2lew 1
30 "! Cys 29" 101 2 101 16 parsed_2lew 1
stop_
save_