NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
545641 |
1ud7   |
4493 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_1ud7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ud7
_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_1ud7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ud7
_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 1ud7 "Master copy" parsed_1ud7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ud7
_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 1ud7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ud7 1
1 1ud7.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 63 parsed_1ud7 1
1 1ud7.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ud7 1
1 1ud7.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_1ud7 1
1 1ud7.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ud7 1
1 1ud7.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ud7 1
1 1ud7.mr . . XPLOR/CNS 7 distance "hydrogen bond" ambi 0 parsed_1ud7 1
1 1ud7.mr . . XPLOR/CNS 8 distance NOE ambi 0 parsed_1ud7 1
1 1ud7.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ud7 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ud7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1ud7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1ud7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1ud7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1ud7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1ud7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1ud7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1ud7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1ud7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1ud7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1ud7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1ud7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1ud7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1ud7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1ud7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1ud7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1ud7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1ud7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1ud7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1ud7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1ud7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1ud7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1ud7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1ud7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1ud7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1ud7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1ud7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1ud7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1ud7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1ud7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1ud7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1ud7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1ud7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1ud7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1ud7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1ud7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1ud7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1ud7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1ud7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1ud7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1ud7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1ud7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1ud7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1ud7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1ud7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1ud7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1ud7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1ud7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1ud7 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 restraints from dihedrals.pl.inp.ft
extended structure or beta sheet with J = 8.1
;
1 1 4 51 parsed_1ud7 1
2 "extended structure or beta sheet with J = 9.8" 8 1 8 51 parsed_1ud7 1
3 "extended structure or beta sheet with J = 9.8" 12 1 12 51 parsed_1ud7 1
4 "extended structure or beta sheet with J = 9.6" 16 1 16 51 parsed_1ud7 1
5 "extended structure or beta sheet with J = 9.7" 20 1 20 51 parsed_1ud7 1
6 "extended structure or beta sheet with J = 8.4" 24 1 24 51 parsed_1ud7 1
7 "alpha helix with J = 4.4" 28 1 28 30 parsed_1ud7 1
8 "extended structure or beta sheet with J = 9.4" 32 1 32 51 parsed_1ud7 1
9 "extended structure or beta sheet with J = 9.8" 36 1 36 51 parsed_1ud7 1
10 "extended structure or beta sheet with J = 10.3" 40 1 40 51 parsed_1ud7 1
11 "extended structure or beta sheet with J = 9.2" 44 1 44 51 parsed_1ud7 1
12 "extended structure or beta sheet with J = 9.9" 48 1 48 51 parsed_1ud7 1
13 "extended structure or beta sheet with J = 8.9" 52 1 52 51 parsed_1ud7 1
14 "extended structure or beta sheet with J = 9.6" 56 1 56 51 parsed_1ud7 1
15 "extended structure or beta sheet with J = 9.8" 60 1 60 51 parsed_1ud7 1
16 "alpha helix with J = 3.4" 64 1 64 30 parsed_1ud7 1
17 "alpha helix with J = 3.3" 68 1 68 30 parsed_1ud7 1
18 "alpha helix with J = 4.8" 72 1 72 30 parsed_1ud7 1
19 "alpha helix with J = 3.9" 76 1 76 30 parsed_1ud7 1
20 "alpha helix with J = 4.1" 80 1 80 30 parsed_1ud7 1
21 "alpha helix with J = 3.9" 84 1 84 30 parsed_1ud7 1
22 "extended structure or beta sheet with J = 9.8" 88 1 88 51 parsed_1ud7 1
23 "extended structure or beta sheet with J = 8.7" 92 1 92 51 parsed_1ud7 1
24 "extended structure or beta sheet with J = 10.1" 96 1 96 51 parsed_1ud7 1
25 "extended structure or beta sheet with J = 8.1" 100 1 100 51 parsed_1ud7 1
26 "extended structure or beta sheet with J = 9.9" 104 1 104 51 parsed_1ud7 1
27 "extended structure or beta sheet with J = 9.7" 108 1 108 51 parsed_1ud7 1
28 "extended structure or beta sheet with J = 10.3" 112 1 112 51 parsed_1ud7 1
29 "extended structure or beta sheet with J = 9.0" 116 1 116 51 parsed_1ud7 1
30 "extended structure or beta sheet with J = 9.3" 120 1 120 51 parsed_1ud7 1
31 "alpha helix with J = 3.4" 124 1 124 30 parsed_1ud7 1
32 "extended structure or beta sheet with J = 10.1" 128 1 128 51 parsed_1ud7 1
33 "extended structure or beta sheet with J = 10.0" 132 1 132 51 parsed_1ud7 1
34 "alpha helix with J = 3.8" 136 1 136 30 parsed_1ud7 1
35 "alpha helix with J = 3.6" 140 1 140 30 parsed_1ud7 1
36 "alpha helix with J = 4.9" 144 1 144 30 parsed_1ud7 1
37 "extended structure or beta sheet with J = 10.2" 148 1 148 51 parsed_1ud7 1
38 "extended structure or beta sheet with J = 10.1" 152 1 152 51 parsed_1ud7 1
39 "alpha helix with J = 2.3" 156 1 156 30 parsed_1ud7 1
40 "extended structure or beta sheet with J = 10.0" 160 1 160 51 parsed_1ud7 1
41 "extended structure or beta sheet with J = 10.1" 164 1 164 51 parsed_1ud7 1
42 "extended structure or beta sheet with J = 9.5" 168 1 168 51 parsed_1ud7 1
43 "extended structure or beta sheet with J = 9.1" 172 1 172 51 parsed_1ud7 1
44 "extended structure or beta sheet with J = 10.1" 176 1 176 51 parsed_1ud7 1
45
;
********** The following constraints added because the sequential
(i-1)HA - (i)HN noe's and roe's are greater than the intraresidue
(i)HA - (i)HN noe/roe.
;
181 1 183 31 parsed_1ud7 1
46 chi1_071197.tbl 197 1 197 1 parsed_1ud7 1
stop_
save_
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