NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
579477 |
2mny   |
19913 | cing | 2-parsed | STAR | dihedral angle | 53 |
data_2mny_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mny
_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_2mny 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mny
_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 2mny "Master copy" parsed_2mny
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mny
_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 2mny.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mny 1
1 2mny.mr . . XPLOR/CNS 2 distance NOE ambi 663 parsed_2mny 1
1 2mny.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 14 parsed_2mny 1
1 2mny.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 53 parsed_2mny 1
1 2mny.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mny 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mny
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152 -104 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2mny 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132 166 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2mny 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -74 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2mny 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 145 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2mny 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -51 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2mny 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -24 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2mny 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -59 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2mny 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47 -35 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2mny 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -59 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2mny 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39 -11 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2mny 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122 -72 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2mny 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 154 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2mny 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -96 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2mny 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 139 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2mny 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158 -110 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2mny 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142 164 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2mny 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154 -122 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2mny 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 157 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2mny 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -57 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2mny 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36 -2 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2mny 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146 -112 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2mny 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102 166 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2mny 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -56 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2mny 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42 -16 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2mny 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -56 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2mny 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141 155 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2mny 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152 -84 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2mny 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 154 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2mny 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -66 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2mny 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117 143 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2mny 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -58 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2mny 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139 161 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2mny 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93 -63 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2mny 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114 152 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2mny 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109 -71 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2mny 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124 138 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2mny 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128 -102 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2mny 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123 135 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2mny 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108 -64 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2mny 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 139 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2mny 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -56 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2mny 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39 -21 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2mny 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -59 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2mny 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48 -30 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2mny 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -60 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2mny 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -37 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2mny 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -57 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2mny 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48 -34 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2mny 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -54 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2mny 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -27 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2mny 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -69 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2mny 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119 163 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2mny 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -62 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2mny 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
;
Two angles Phi and Psi generated from rama.tcl (in talos)
rama.tcl -in vta1NTD_talos.tab
M1
V6
;
1 1 19 5 parsed_2mny 1
2 C7 31 1 31 5 parsed_2mny 1
3 D15 42 1 42 6 parsed_2mny 1
4 E16 55 1 55 6 parsed_2mny 1
5 K17 68 1 68 6 parsed_2mny 1
6 L20 81 1 81 6 parsed_2mny 1
7 L21 91 1 91 6 parsed_2mny 1
8 S28 105 1 105 6 parsed_2mny 1
9 Y29 116 1 116 6 parsed_2mny 1
10 T31 128 1 128 6 parsed_2mny 1
11 I35 140 1 140 6 parsed_2mny 1
12 P36 151 1 151 6 parsed_2mny 1
13 P37 163 1 163 6 parsed_2mny 1
14 D40 177 1 177 6 parsed_2mny 1
15 V41 187 1 187 6 parsed_2mny 1
16 P42 198 1 198 6 parsed_2mny 1
17 D45 211 1 211 6 parsed_2mny 1
18 W46 223 1 223 6 parsed_2mny 1
19 R47 234 1 234 6 parsed_2mny 1
20 C48 246 1 246 6 parsed_2mny 1
21 P49 259 1 259 6 parsed_2mny 1
22 K50 272 1 272 6 parsed_2mny 1
23 C51 284 1 284 6 parsed_2mny 1
24 L52 296 1 296 6 parsed_2mny 1
25 A53 310 1 310 6 parsed_2mny 1
26 K58 327 1 327 6 parsed_2mny 1
27 P59 340 1 340 6 parsed_2mny 1
28
;
assign ( resid 59 and name n ) ( resid 59 and name ca )
( resid 59 and name c) ( resid 60 and name n ) 1.0 -43 5 2
;
344 1 345 70 parsed_2mny 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 6:49:10 PM GMT (wattos1)