NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
49935 |
2jx9   |
15553 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_2jx9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jx9
_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_2jx9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jx9
_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 2jx9 "Master copy" parsed_2jx9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jx9
_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 2jx9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 2 distance NOE simple 2721 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 3 distance NOE simple 168 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 126 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 7 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2jx9 1
1 2jx9.mr . . XPLOR/CNS 9 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2jx9 1
1 2jx9.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jx9 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jx9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.04 -46.86 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2jx9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37.42 148.32 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2jx9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.28 119.88 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2jx9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.38 84.78 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2jx9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.75 -54.75 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2jx9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.86 -84.86 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2jx9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.71 -51.71 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2jx9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.48 -61.48 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2jx9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.85 -112.85 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2jx9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.39 -57.39 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2jx9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.40 -54.40 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2jx9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.37 -92.37 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2jx9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.77 -65.77 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2jx9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.27 -55.27 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_2jx9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.04 -20.20 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2jx9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.91 129.71 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2jx9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.77 41.01 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2jx9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.85 43.77 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2jx9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.85 16.29 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2jx9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.55 -103.77 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2jx9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.18 168.18 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2jx9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.48 45.52 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2jx9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.52 39.48 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2jx9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.82 196.82 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2jx9 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.39 28.61 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2jx9 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.75 0.25 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2jx9 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.16 -16.16 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2jx9 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.29 42.71 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_2jx9 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.04 -20.20 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2jx9 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.91 129.71 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2jx9 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 C(i-1)-N(i)-CA(i)-C(i) from PREDITOR
F32
;
1 1 3 6 parsed_2jx9 1
2 G33 10 1 10 6 parsed_2jx9 1
3 G43 17 1 17 6 parsed_2jx9 1
4 G52 24 1 24 6 parsed_2jx9 1
5 D54 31 1 31 6 parsed_2jx9 1
6 T66 38 1 38 6 parsed_2jx9 1
7 K69 45 1 45 6 parsed_2jx9 1
8 I70 52 1 52 6 parsed_2jx9 1
9 A73 59 1 59 6 parsed_2jx9 1
10 Q77 66 1 66 6 parsed_2jx9 1
11 M78 73 1 73 6 parsed_2jx9 1
12 C96 80 1 80 6 parsed_2jx9 1
13 T100 87 1 87 7 parsed_2jx9 1
14 A106 94 1 94 7 parsed_2jx9 1
15 P112 101 1 101 7 parsed_2jx9 1
16 G117 108 1 108 7 parsed_2jx9 1
17
;
!psi N(i)-CA(i)-C(i)-N(i+1) from PREDICTOR
F32
;
115 1 117 6 parsed_2jx9 1
18 G33 124 1 124 6 parsed_2jx9 1
19 G43 131 1 131 6 parsed_2jx9 1
20 G52 138 1 138 6 parsed_2jx9 1
21 D54 145 1 145 6 parsed_2jx9 1
22 T66 152 1 152 6 parsed_2jx9 1
23 K69 159 1 159 6 parsed_2jx9 1
24 A73 166 1 166 6 parsed_2jx9 1
25 Q77 173 1 173 6 parsed_2jx9 1
26 C96 180 1 180 6 parsed_2jx9 1
27 T100 187 1 187 7 parsed_2jx9 1
28 A106 194 1 194 7 parsed_2jx9 1
29 P112 201 1 201 7 parsed_2jx9 1
30 G117 208 1 208 7 parsed_2jx9 1
stop_
save_
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