Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
532245 | 2l29 RC | 17127 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_2l29_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l29
_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_2l29 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l29
_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 2l29 "Master copy" parsed_2l29
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l29
_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 2l29.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l29 1
1 2l29.mr . . XPLOR/CNS 2 distance NOE ambi 414 parsed_2l29 1
1 2l29.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 79 parsed_2l29 1
1 2l29.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 217 parsed_2l29 1
1 2l29.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_2l29 1
1 2l29.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2l29 1
1 2l29.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2l29 1
1 2l29.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l29 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l29
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . " A" 1517 . N " A" 1517 . CA " A" 1517 . CB " A" 1517 . CG parsed_2l29 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1520 . N " A" 1520 . CA " A" 1520 . CB " A" 1520 . CG parsed_2l29 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1525 . N " A" 1525 . CA " A" 1525 . CB " A" 1525 . CG parsed_2l29 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . " A" 1532 . N " A" 1532 . CA " A" 1532 . CB " A" 1532 . CG parsed_2l29 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1535 . N " A" 1535 . CA " A" 1535 . CB " A" 1535 . CG parsed_2l29 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . " A" 1555 . N " A" 1555 . CA " A" 1555 . CB " A" 1555 . CG parsed_2l29 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1556 . N " A" 1556 . CA " A" 1556 . CB " A" 1556 . CG parsed_2l29 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1566 . N " A" 1566 . CA " A" 1566 . CB " A" 1566 . SG parsed_2l29 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . " A" 1567 . N " A" 1567 . CA " A" 1567 . CB " A" 1567 . CG parsed_2l29 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1580 . N " A" 1580 . CA " A" 1580 . CB " A" 1580 . CG parsed_2l29 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1585 . N " A" 1585 . CA " A" 1585 . CB " A" 1585 . CG parsed_2l29 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1589 . N " A" 1589 . CA " A" 1589 . CB " A" 1589 . CG parsed_2l29 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . " A" 1593 . N " A" 1593 . CA " A" 1593 . CB " A" 1593 . CG parsed_2l29 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . " A" 1594 . N " A" 1594 . CA " A" 1594 . CB " A" 1594 . CG parsed_2l29 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1598 . N " A" 1598 . CA " A" 1598 . CB " A" 1598 . SG parsed_2l29 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1622 . N " A" 1622 . CA " A" 1622 . CB " A" 1622 . CG parsed_2l29 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . " A" 1623 . N " A" 1623 . CA " A" 1623 . CB " A" 1623 . CG parsed_2l29 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1629 . N " A" 1629 . CA " A" 1629 . CB " A" 1629 . CG parsed_2l29 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . " A" 1630 . N " A" 1630 . CA " A" 1630 . CB " A" 1630 . CG parsed_2l29 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . " A" 1634 . N " A" 1634 . CA " A" 1634 . CB " A" 1634 . SG parsed_2l29 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . " A" 1636 . N " A" 1636 . CA " A" 1636 . CB " A" 1636 . CG parsed_2l29 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . " A" 1638 . N " A" 1638 . CA " A" 1638 . CB " A" 1638 . CG parsed_2l29 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
;
! { Dihedral Angle Restraints }
! Triple chi1 N(i)-CA(i)-CB(i)-CG(i)
Q1517
;
1 1 4 9 parsed_2l29 1
2 N1520 10 1 10 9 parsed_2l29 1
3 H1525 15 1 15 9 parsed_2l29 1
4 D1532 20 1 20 9 parsed_2l29 1
5 R1535 26 1 26 9 parsed_2l29 1
6 E1555 32 1 32 9 parsed_2l29 1
7 N1556 38 1 38 9 parsed_2l29 1
8 C1566 44 1 44 9 parsed_2l29 1
9 F1567 50 1 50 9 parsed_2l29 1
10 R1580 56 1 56 9 parsed_2l29 1
11 D1585 61 1 61 9 parsed_2l29 1
12 Q1589 66 1 66 9 parsed_2l29 1
13 K1593 71 1 71 9 parsed_2l29 1
14 D1594 76 1 76 9 parsed_2l29 1
15 C1598 81 1 81 8 parsed_2l29 1
16 N1622 86 1 86 9 parsed_2l29 1
17 R1623 91 1 91 9 parsed_2l29 1
18 L1629 96 1 96 9 parsed_2l29 1
19 D1630 101 1 101 9 parsed_2l29 1
20
;
Q1632
assign
((segid " A" and resid 1632 and name N ))
((segid " A" and resid 1632 and name CA ))
((segid " A" and resid 1632 and name CB ))
((segid " A" and resid 1632 and name CG )) 1 -60.00 30.00 2
C1634
;
106 1 112 9 parsed_2l29 1
21 L1636 117 1 117 9 parsed_2l29 1
22 F1638 122 1 122 8 parsed_2l29 1
stop_
save_