NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
30441 |
1cld   |
cing | 2-parsed | STAR | dihedral angle | 57 |
data_1cld_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1cld
_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_1cld 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1cld
_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 1cld "Master copy" parsed_1cld
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1cld
_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 1cld.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1cld 1
1 1cld.mr . . XPLOR/CNS 2 distance NOE simple 290 parsed_1cld 1
1 1cld.mr . . XPLOR/CNS 3 distance "disulfide bond" simple 6 parsed_1cld 1
1 1cld.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 8 parsed_1cld 1
1 1cld.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1cld 1
1 1cld.mr . . XPLOR/CNS 6 distance "disulfide bond" simple 24 parsed_1cld 1
1 1cld.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1cld 1
1 1cld.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_1cld 1
1 1cld.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1cld 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1cld
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -65.0 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_1cld 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -30.0 . . 95 . c . 96 . n . 96 . ca . 96 . c parsed_1cld 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_1cld 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -30.0 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_1cld 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 99 . c . 100 . n . 100 . ca . 100 . c parsed_1cld 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 100 . c . 101 . n . 101 . ca . 101 . c parsed_1cld 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 101 . c . 102 . n . 102 . ca . 102 . c parsed_1cld 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 102 . c . 103 . n . 103 . ca . 103 . c parsed_1cld 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 103 . c . 104 . n . 104 . ca . 104 . c parsed_1cld 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -80.0 . . 104 . c . 105 . n . 105 . ca . 105 . c parsed_1cld 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 105 . c . 106 . n . 106 . ca . 106 . c parsed_1cld 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 106 . c . 107 . n . 107 . ca . 107 . c parsed_1cld 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 107 . c . 108 . n . 108 . ca . 108 . c parsed_1cld 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 108 . c . 109 . n . 109 . ca . 109 . c parsed_1cld 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 110 . c . 111 . n . 111 . ca . 111 . c parsed_1cld 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 111 . c . 112 . n . 112 . ca . 112 . c parsed_1cld 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 112 . c . 113 . n . 113 . ca . 113 . c parsed_1cld 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 113 . c . 114 . n . 114 . ca . 114 . c parsed_1cld 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -45.0 . . 114 . c . 115 . n . 115 . ca . 115 . c parsed_1cld 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 115 . c . 116 . n . 116 . ca . 116 . c parsed_1cld 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -50.0 . . 116 . c . 117 . n . 117 . ca . 117 . c parsed_1cld 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 117 . c . 118 . n . 118 . ca . 118 . c parsed_1cld 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 118 . c . 119 . n . 119 . ca . 119 . c parsed_1cld 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 119 . c . 120 . n . 120 . ca . 120 . c parsed_1cld 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 120 . c . 121 . n . 121 . ca . 121 . c parsed_1cld 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -55.0 . . 121 . c . 122 . n . 122 . ca . 122 . c parsed_1cld 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 122 . c . 123 . n . 123 . ca . 123 . c parsed_1cld 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -5.0 . . 123 . c . 124 . n . 124 . ca . 124 . c parsed_1cld 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 195.0 . . 95 . n . 95 . ca . 95 . c . 96 . n parsed_1cld 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 25.0 . . 96 . n . 96 . ca . 96 . c . 97 . n parsed_1cld 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -5.0 . . 98 . n . 98 . ca . 98 . c . 99 . n parsed_1cld 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 80.0 . . 102 . n . 102 . ca . 102 . c . 103 . n parsed_1cld 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 104 . n . 104 . ca . 104 . c . 105 . n parsed_1cld 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 -95.0 . . 105 . n . 105 . ca . 105 . c . 106 . n parsed_1cld 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 105.0 . . 107 . n . 107 . ca . 107 . c . 108 . n parsed_1cld 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 155.0 . . 108 . n . 108 . ca . 108 . c . 109 . n parsed_1cld 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 175.0 . . 111 . n . 111 . ca . 111 . c . 112 . n parsed_1cld 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 155.0 . . 112 . n . 112 . ca . 112 . c . 113 . n parsed_1cld 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 115 . n . 115 . ca . 115 . c . 116 . n parsed_1cld 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 35.0 . . 116 . n . 116 . ca . 116 . c . 117 . n parsed_1cld 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 117 . n . 117 . ca . 117 . c . 118 . n parsed_1cld 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 55.0 . . 118 . n . 118 . ca . 118 . c . 119 . n parsed_1cld 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 105.0 . . 119 . n . 119 . ca . 119 . c . 120 . n parsed_1cld 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 115.0 . . 122 . n . 122 . ca . 122 . c . 123 . n parsed_1cld 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 165.0 . . 123 . n . 123 . ca . 123 . c . 124 . n parsed_1cld 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 -145.0 . . 124 . n . 124 . ca . 124 . c . 125 . n parsed_1cld 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 115.0 . . 95 . n . 95 . ca . 95 . cb . 95 . sg parsed_1cld 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -25.0 . . 96 . n . 96 . ca . 96 . cb . 96 . cg parsed_1cld 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 98 . n . 98 . ca . 98 . cb . 98 . sg parsed_1cld 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -135.0 . . 105 . n . 105 . ca . 105 . cb . 105 . sg parsed_1cld 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 115.0 . . 108 . n . 108 . ca . 108 . cb . 108 . og1 parsed_1cld 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -75.0 . . 109 . n . 108 . ca . 109 . cb . 108 . cg1 parsed_1cld 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 175.0 . . 112 . n . 112 . ca . 112 . cb . 112 . sg parsed_1cld 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 115 . n . 115 . ca . 115 . cb . 115 . sg parsed_1cld 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 200.0 . . 117 . n . 117 . ca . 117 . cb . 117 . cg parsed_1cld 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 45.0 . . 118 . n . 118 . ca . 118 . cb . 118 . cg parsed_1cld 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 124 . n . 124 . ca . 124 . cb . 124 . cg parsed_1cld 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 restraints: minimum deviation = +/- 25 degrees
95
;
1 1 3 10 parsed_1cld 1
2 96 6 1 6 9 parsed_1cld 1
3 98 9 1 9 8 parsed_1cld 1
4 99 12 1 12 10 parsed_1cld 1
5 100 15 1 15 9 parsed_1cld 1
6 101 18 1 18 8 parsed_1cld 1
7 102 21 1 21 10 parsed_1cld 1
8 103 24 1 24 9 parsed_1cld 1
9 104 27 1 27 8 parsed_1cld 1
10 105 30 1 30 9 parsed_1cld 1
11 106 33 1 33 9 parsed_1cld 1
12 107 36 1 36 9 parsed_1cld 1
13 108 39 1 39 8 parsed_1cld 1
14 109 42 1 42 8 parsed_1cld 1
15 111 45 1 45 8 parsed_1cld 1
16 112 48 1 48 8 parsed_1cld 1
17 113 51 1 51 8 parsed_1cld 1
18 114 54 1 54 8 parsed_1cld 1
19 115 57 1 57 8 parsed_1cld 1
20 116 60 1 60 8 parsed_1cld 1
21 117 63 1 63 8 parsed_1cld 1
22 118 66 1 66 10 parsed_1cld 1
23 119 69 1 69 9 parsed_1cld 1
24 120 72 1 72 8 parsed_1cld 1
25 121 75 1 75 8 parsed_1cld 1
26 122 78 1 78 9 parsed_1cld 1
27 123 81 1 81 9 parsed_1cld 1
28 124 84 1 84 8 parsed_1cld 1
29
;
! Psi restraints; minimum deviation: +/- 30 degrees
95
;
88 1 90 5 parsed_1cld 1
30 96 93 1 93 5 parsed_1cld 1
31 98 96 1 96 5 parsed_1cld 1
32 102 99 1 99 6 parsed_1cld 1
33 104 102 1 102 6 parsed_1cld 1
34 105 105 1 105 6 parsed_1cld 1
35 107 108 1 108 6 parsed_1cld 1
36 108 111 1 111 6 parsed_1cld 1
37 111 114 1 114 6 parsed_1cld 1
38 112 117 1 117 6 parsed_1cld 1
39 115 120 1 120 6 parsed_1cld 1
40 116 123 1 123 6 parsed_1cld 1
41 117 126 1 126 6 parsed_1cld 1
42 118 129 1 129 6 parsed_1cld 1
43 119 132 1 132 6 parsed_1cld 1
44 122 135 1 135 6 parsed_1cld 1
45 123 138 1 138 6 parsed_1cld 1
46 124 141 1 141 6 parsed_1cld 1
47
;
! Chi restraints: minimum deviation: +/- 30 degrees
95
;
145 1 147 5 parsed_1cld 1
48 96 150 1 150 5 parsed_1cld 1
49 98 153 1 153 5 parsed_1cld 1
50 105 156 1 156 7 parsed_1cld 1
51 108 159 1 159 7 parsed_1cld 1
52 109 162 1 162 7 parsed_1cld 1
53 112 165 1 165 7 parsed_1cld 1
54 115 168 1 168 6 parsed_1cld 1
55 117 171 1 171 6 parsed_1cld 1
56 118 174 1 174 6 parsed_1cld 1
57 124 177 1 177 6 parsed_1cld 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 10:42:50 AM GMT (wattos1)