NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29448 |
1av3   |
cing | 2-parsed | STAR | dihedral angle | 36 |
data_1av3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1av3
_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_1av3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1av3
_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 1av3 "Master copy" parsed_1av3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1av3
_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 1av3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1av3 1
1 1av3.mr . . XPLOR/CNS 2 distance NOE simple 437 parsed_1av3 1
1 1av3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_1av3 1
1 1av3.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1av3 1
1 1av3.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1av3 1
1 1av3.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1av3 1
1 1av3.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1av3 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1av3
_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 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1av3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1av3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1av3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1av3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1av3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1av3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1av3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1av3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1av3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1av3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1av3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1av3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1av3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1av3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1av3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1av3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1av3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1av3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1av3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1av3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1av3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG1 parsed_1av3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 1 . N . 1 . CA . 1 . CB . 1 . SG parsed_1av3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_1av3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_1av3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1av3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 17 . N . 17 . CA . 17 . CB . 17 . OG parsed_1av3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_1av3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_1av3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_1av3 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_1av3 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . N . 20 . CA . 20 . CB . 20 . SG parsed_1av3 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1av3 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1av3 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . SG parsed_1av3 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_1av3 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
;
p7adihed.tbl
phi angles
resid 2
;
1 1 3 11 parsed_1av3 1
2 "resid 3" 6 1 6 10 parsed_1av3 1
3 "resid 5" 9 1 9 11 parsed_1av3 1
4 "resid 7" 12 1 12 11 parsed_1av3 1
5 "resid 8" 15 1 15 11 parsed_1av3 1
6 "resid 9" 18 1 18 11 parsed_1av3 1
7 "resid 10" 21 1 21 12 parsed_1av3 1
8 "resid 11" 24 1 24 12 parsed_1av3 1
9 "resid 12" 27 1 27 12 parsed_1av3 1
10 "resid 13" 30 1 30 12 parsed_1av3 1
11 "resid 14" 33 1 33 12 parsed_1av3 1
12 "resid 15" 36 1 36 12 parsed_1av3 1
13 "resid 16" 39 1 39 12 parsed_1av3 1
14 "resid 17" 42 1 42 12 parsed_1av3 1
15 "resid 18" 45 1 45 12 parsed_1av3 1
16 "resid 19" 48 1 48 12 parsed_1av3 1
17 "resid 20" 51 1 51 12 parsed_1av3 1
18 "resid 21" 54 1 54 12 parsed_1av3 1
19 "resid 23" 57 1 57 12 parsed_1av3 1
20 "resid 25" 60 1 60 12 parsed_1av3 1
21 "resid 26" 63 1 63 12 parsed_1av3 1
22
;
chi angles
resid 3 g2g3
assign (resid 3 and name N ) (resid 3 and name CA)
(resid 3 and name CB) (resid 3 and name CG1) 1 60.0 30.0 2
resid 27 g2g3
;
67 1 71 16 parsed_1av3 1
23 "resid 1 g2g3" 74 1 74 15 parsed_1av3 1
24 "resid 5 g2g3" 77 1 77 15 parsed_1av3 1
25 "resid 8 g2g3" 80 1 80 15 parsed_1av3 1
26 "resid 14 g2g3" 83 1 83 16 parsed_1av3 1
27 "resid 17 g2g3" 86 1 86 16 parsed_1av3 1
28 "resid 21 g2g3" 89 1 89 16 parsed_1av3 1
29 "resid 22 g2g3" 92 1 92 16 parsed_1av3 1
30 "resid 15 t2g3" 95 1 95 16 parsed_1av3 1
31 "resid 19 t2g3" 98 1 98 16 parsed_1av3 1
32 "resid 20 t2g3" 101 1 101 16 parsed_1av3 1
33 "resid 23 t2g3" 104 1 104 16 parsed_1av3 1
34 "resid 25 t2g3" 107 1 107 16 parsed_1av3 1
35 "resid 26 t2g3" 110 1 110 16 parsed_1av3 1
36 "resid 16 g2t3" 113 1 113 16 parsed_1av3 1
stop_
save_
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