NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
562878 |
2m7x   |
19216 | cing | 2-parsed | STAR | dihedral angle | 42 |
data_2m7x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m7x
_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_2m7x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m7x
_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 2m7x "Master copy" parsed_2m7x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m7x
_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 2m7x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m7x 1
1 2m7x.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_2m7x 1
1 2m7x.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2m7x 1
1 2m7x.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2m7x 1
1 2m7x.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m7x 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m7x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 122 . c . 123 . n . 123 . ca . 123 . c parsed_2m7x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 123 . n . 123 . ca . 123 . c . 124 . n parsed_2m7x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 127 . c . 128 . n . 128 . ca . 128 . c parsed_2m7x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 128 . n . 128 . ca . 128 . c . 129 . n parsed_2m7x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 128 . c . 129 . n . 129 . ca . 129 . c parsed_2m7x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 129 . c . 129 . ca . 129 . c . 130 . n parsed_2m7x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 129 . c . 130 . n . 130 . ca . 130 . c parsed_2m7x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 130 . n . 130 . ca . 130 . c . 131 . n parsed_2m7x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 130 . c . 131 . n . 131 . ca . 131 . c parsed_2m7x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 131 . n . 131 . ca . 131 . c . 132 . n parsed_2m7x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 131 . c . 132 . n . 132 . ca . 132 . c parsed_2m7x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 132 . n . 132 . ca . 132 . c . 133 . n parsed_2m7x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 132 . c . 133 . n . 133 . ca . 133 . c parsed_2m7x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 133 . n . 133 . ca . 133 . c . 134 . n parsed_2m7x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 133 . c . 134 . n . 134 . ca . 134 . c parsed_2m7x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 134 . n . 134 . ca . 134 . c . 135 . n parsed_2m7x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 134 . c . 135 . n . 135 . ca . 135 . c parsed_2m7x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 135 . n . 135 . ca . 135 . c . 136 . n parsed_2m7x 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 135 . c . 136 . n . 136 . ca . 136 . c parsed_2m7x 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 136 . n . 136 . ca . 136 . c . 137 . n parsed_2m7x 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 136 . c . 137 . n . 137 . ca . 137 . c parsed_2m7x 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 137 . n . 137 . ca . 137 . c . 138 . n parsed_2m7x 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 137 . c . 138 . n . 138 . ca . 138 . c parsed_2m7x 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 138 . n . 138 . ca . 138 . c . 139 . n parsed_2m7x 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 138 . c . 139 . n . 139 . ca . 139 . c parsed_2m7x 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 139 . n . 139 . ca . 139 . c . 140 . n parsed_2m7x 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 139 . c . 140 . n . 140 . ca . 140 . c parsed_2m7x 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 140 . n . 140 . ca . 140 . c . 141 . n parsed_2m7x 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 140 . c . 141 . n . 141 . ca . 141 . c parsed_2m7x 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 141 . n . 141 . ca . 141 . c . 142 . n parsed_2m7x 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 141 . c . 142 . n . 142 . ca . 142 . c parsed_2m7x 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 142 . n . 142 . ca . 142 . c . 143 . n parsed_2m7x 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 147 . c . 148 . n . 148 . ca . 148 . c parsed_2m7x 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 148 . n . 148 . ca . 148 . c . 149 . n parsed_2m7x 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 148 . c . 149 . n . 149 . ca . 149 . c parsed_2m7x 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 149 . n . 149 . ca . 149 . c . 150 . n parsed_2m7x 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 149 . c . 150 . n . 150 . ca . 150 . c parsed_2m7x 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 150 . n . 150 . ca . 150 . c . 151 . n parsed_2m7x 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 150 . c . 151 . n . 151 . ca . 151 . c parsed_2m7x 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 151 . n . 151 . ca . 151 . c . 152 . n parsed_2m7x 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 151 . c . 152 . n . 152 . ca . 152 . c parsed_2m7x 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 152 . n . 152 . ca . 152 . c . 153 . n parsed_2m7x 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 based on csi data
!
! Phi restraints: minimum deviation = 30 degrees
! 121
assign (resid 120 and name c ) (resid 121 and name n )
(resid 121 and name ca) (resid 121 and name c ) 1.0 -60.0 25.0 2
! 122
assign (resid 121 and name c ) (resid 122 and name n )
(resid 122 and name ca) (resid 122 and name c ) 1.0 -60.0 25.0 2
! 123
;
1 1 12 20 parsed_2m7x 1
2 "! 123" 15 1 15 20 parsed_2m7x 1
3
;
! 124
assign (resid 123 and name c ) (resid 124 and name n )
(resid 124 and name ca) (resid 124 and name c ) 1.0 -60.0 25.0 2
! 125
assign (resid 124 and name c ) (resid 125 and name n )
(resid 125 and name ca) (resid 125 and name c ) 1.0 -60.0 25.0 2
! 126
assign (resid 125 and name c ) (resid 126 and name n )
(resid 126 and name ca) (resid 126 and name c ) 1.0 -60.0 25.0 2
! 127
assign (resid 126 and name c ) (resid 127 and name n )
(resid 127 and name ca) (resid 127 and name c ) 1.0 -60.0 25.0 2
! 128
;
18 1 30 20 parsed_2m7x 1
4 "! 128" 33 1 33 20 parsed_2m7x 1
5 "! 129" 36 1 36 20 parsed_2m7x 1
6 "! 129" 39 1 39 20 parsed_2m7x 1
7 "! 130" 42 1 42 20 parsed_2m7x 1
8 "! 130" 45 1 45 20 parsed_2m7x 1
9 "! 131" 48 1 48 20 parsed_2m7x 1
10 "! 131" 51 1 51 20 parsed_2m7x 1
11 "! 132" 54 1 54 20 parsed_2m7x 1
12 "! 132" 57 1 57 20 parsed_2m7x 1
13 "! 133" 60 1 60 20 parsed_2m7x 1
14 "! 133" 63 1 63 20 parsed_2m7x 1
15 "! 134" 66 1 66 20 parsed_2m7x 1
16 "! 134" 69 1 69 20 parsed_2m7x 1
17 "! 135" 72 1 72 20 parsed_2m7x 1
18 "! 135" 75 1 75 20 parsed_2m7x 1
19 "! 136" 78 1 78 20 parsed_2m7x 1
20 "! 136" 81 1 81 20 parsed_2m7x 1
21 "! 137" 84 1 84 20 parsed_2m7x 1
22 "! 137" 87 1 87 20 parsed_2m7x 1
23 "! 138" 90 1 90 20 parsed_2m7x 1
24 "! 138" 93 1 93 20 parsed_2m7x 1
25 "! 139" 96 1 96 20 parsed_2m7x 1
26 "! 139" 99 1 99 20 parsed_2m7x 1
27 "! 140" 102 1 102 20 parsed_2m7x 1
28 "! 140" 105 1 105 20 parsed_2m7x 1
29 "! 141" 108 1 108 20 parsed_2m7x 1
30 "! 141" 111 1 111 20 parsed_2m7x 1
31 "! 142" 114 1 114 20 parsed_2m7x 1
32 "! 142" 117 1 117 20 parsed_2m7x 1
33
;
! 143
assign (resid 142 and name c ) (resid 143 and name n )
(resid 143 and name ca) (resid 143 and name c ) 1.0 -60.0 25.0 2
! 144
assign (resid 143 and name c ) (resid 144 and name n )
(resid 144 and name ca) (resid 144 and name c ) 1.0 -60.0 25.0 2
! 145
assign (resid 144 and name c ) (resid 145 and name n )
(resid 145 and name ca) (resid 145 and name c ) 1.0 -60.0 25.0 2
! 146
assign (resid 145 and name c ) (resid 146 and name n )
(resid 146 and name ca) (resid 146 and name c ) 1.0 -60.0 25.0 2
! 147
assign (resid 146 and name c ) (resid 147 and name n )
(resid 147 and name ca) (resid 147 and name c ) 1.0 -60.0 25.0 2
! 148
;
120 1 135 20 parsed_2m7x 1
34 "! 148" 138 1 138 20 parsed_2m7x 1
35 "! 149" 141 1 141 20 parsed_2m7x 1
36 "! 149" 144 1 144 20 parsed_2m7x 1
37 "! 150" 147 1 147 20 parsed_2m7x 1
38 "! 150" 150 1 150 20 parsed_2m7x 1
39 "! 151" 153 1 153 20 parsed_2m7x 1
40 "! 151" 156 1 156 20 parsed_2m7x 1
41 "! 152" 159 1 159 20 parsed_2m7x 1
42 "! 152" 162 1 162 20 parsed_2m7x 1
43
;
! 153
assign (resid 152 and name c ) (resid 153 and name n )
(resid 153 and name ca) (resid 153 and name c ) 1.0 -60.0 25.0 2
! 154
assign (resid 153 and name c ) (resid 154 and name n )
(resid 154 and name ca) (resid 154 and name c ) 1.0 -60.0 25.0 2
! 154
assign (resid 153 and name c ) (resid 154 and name n )
(resid 154 and name ca) (resid 154 and name c ) 1.0 -60.0 25.0 2
! 155
assign (resid 154 and name c ) (resid 155 and name n )
(resid 155 and name ca) (resid 155 and name c ) 1.0 -60.0 25.0 2
! 156
assign (resid 155 and name c ) (resid 156 and name n )
(resid 156 and name ca) (resid 156 and name c ) 1.0 -60.0 25.0 2
! 157
assign (resid 156 and name c ) (resid 157 and name n )
(resid 157 and name ca) (resid 157 and name c ) 1.0 -60.0 25.0 2
;
165 1 182 66 parsed_2m7x 1
stop_
save_
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