NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
490992 |
2krp   |
cing | 2-parsed | STAR | dihedral angle | 93 |
data_2krp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2krp
_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_2krp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2krp
_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 2krp "Master copy" parsed_2krp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2krp
_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 2krp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krp 1
1 2krp.mr . . XPLOR/CNS 2 distance NOE simple 255 parsed_2krp 1
1 2krp.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 93 parsed_2krp 1
1 2krp.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2krp 1
1 2krp.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krp 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2krp
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 1 . O3' A 2 . P A 2 . O5' A 2 . C5' parsed_2krp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 2 . O3' A 3 . P A 3 . O5' A 3 . C5' parsed_2krp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 3 . O3' A 4 . P A 4 . O5' A 4 . C5' parsed_2krp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 4 . O3' A 5 . P A 5 . O5' A 5 . C5' parsed_2krp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 5 . O3' A 6 . P A 6 . O5' A 6 . C5' parsed_2krp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 6 . O3' A 7 . P A 7 . O5' A 7 . C5' parsed_2krp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 7 . O3' A 8 . P A 8 . O5' A 8 . C5' parsed_2krp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108 -28 . A 8 . O3' A 9 . P A 9 . O5' A 9 . C5' parsed_2krp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 9 . O3' A 10 . P A 10 . O5' A 10 . C5' parsed_2krp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118 -18 . A 10 . O3' A 11 . P A 11 . O5' A 11 . C5' parsed_2krp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 12 . O3' A 13 . P A 13 . O5' A 13 . C5' parsed_2krp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 13 . O3' A 14 . P A 14 . O5' A 14 . C5' parsed_2krp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 14 . O3' A 15 . P A 15 . O5' A 15 . C5' parsed_2krp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 15 . O3' A 16 . P A 16 . O5' A 16 . C5' parsed_2krp 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -53 . A 16 . O3' A 17 . P A 17 . O5' A 17 . C5' parsed_2krp 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 1 . C3' A 1 . O3' A 2 . P A 2 . O5' parsed_2krp 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 2 . C3' A 2 . O3' A 3 . P A 3 . O5' parsed_2krp 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 3 . C3' A 3 . O3' A 4 . P A 4 . O5' parsed_2krp 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 4 . C3' A 4 . O3' A 5 . P A 5 . O5' parsed_2krp 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 5 . C3' A 5 . O3' A 6 . P A 6 . O5' parsed_2krp 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 6 . C3' A 6 . O3' A 7 . P A 7 . O5' parsed_2krp 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121 -21 . A 7 . C3' A 7 . O3' A 8 . P A 8 . O5' parsed_2krp 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116 -26 . A 8 . C3' A 8 . O3' A 9 . P A 9 . O5' parsed_2krp 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121 -21 . A 9 . C3' A 9 . O3' A 10 . P A 10 . O5' parsed_2krp 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121 -21 . A 10 . C3' A 10 . O3' A 11 . P A 11 . O5' parsed_2krp 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 12 . C3' A 12 . O3' A 13 . P A 13 . O5' parsed_2krp 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 13 . C3' A 13 . O3' A 14 . P A 14 . O5' parsed_2krp 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 14 . C3' A 14 . O3' A 15 . P A 15 . O5' parsed_2krp 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 15 . C3' A 15 . O3' A 16 . P A 16 . O5' parsed_2krp 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . A 16 . C3' A 16 . O3' A 17 . P A 17 . O5' parsed_2krp 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 2 . P A 2 . O5' A 2 . C5' A 2 . C4' parsed_2krp 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 3 . P A 3 . O5' A 3 . C5' A 3 . C4' parsed_2krp 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 4 . P A 4 . O5' A 4 . C5' A 4 . C4' parsed_2krp 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 5 . P A 5 . O5' A 5 . C5' A 5 . C4' parsed_2krp 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148 208 . A 6 . P A 6 . O5' A 6 . C5' A 6 . C4' parsed_2krp 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 13 . P A 13 . O5' A 13 . C5' A 13 . C4' parsed_2krp 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 14 . P A 14 . O5' A 14 . C5' A 14 . C4' parsed_2krp 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 15 . P A 15 . O5' A 15 . C5' A 15 . C4' parsed_2krp 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 16 . P A 16 . O5' A 16 . C5' A 16 . C4' parsed_2krp 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 193 . A 17 . P A 17 . O5' A 17 . C5' A 17 . C4' parsed_2krp 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 1 . O5' A 1 . C5' A 1 . C4' A 1 . C3' parsed_2krp 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 2 . O5' A 2 . C5' A 2 . C4' A 2 . C3' parsed_2krp 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 3 . O5' A 3 . C5' A 3 . C4' A 3 . C3' parsed_2krp 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 4 . O5' A 4 . C5' A 4 . C4' A 4 . C3' parsed_2krp 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 5 . O5' A 5 . C5' A 5 . C4' A 5 . C3' parsed_2krp 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 84 . A 6 . O5' A 6 . C5' A 6 . C4' A 6 . C3' parsed_2krp 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 13 . O5' A 13 . C5' A 13 . C4' A 13 . C3' parsed_2krp 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 14 . O5' A 14 . C5' A 14 . C4' A 14 . C3' parsed_2krp 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 15 . O5' A 15 . C5' A 15 . C4' A 15 . C3' parsed_2krp 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 16 . O5' A 16 . C5' A 16 . C4' A 16 . C3' parsed_2krp 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 69 . A 17 . O5' A 17 . C5' A 17 . C4' A 17 . C3' parsed_2krp 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 1 . C5' A 1 . C4' A 1 . C3' A 1 . O3' parsed_2krp 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 2 . C5' A 2 . C4' A 2 . C3' A 2 . O3' parsed_2krp 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 3 . C5' A 3 . C4' A 3 . C3' A 3 . O3' parsed_2krp 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 4 . C5' A 4 . C4' A 4 . C3' A 4 . O3' parsed_2krp 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 5 . C5' A 5 . C4' A 5 . C3' A 5 . O3' parsed_2krp 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 110 . A 6 . C5' A 6 . C4' A 6 . C3' A 6 . O3' parsed_2krp 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 110 . A 12 . C5' A 12 . C4' A 12 . C3' A 12 . O3' parsed_2krp 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 13 . C5' A 13 . C4' A 13 . C3' A 13 . O3' parsed_2krp 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 14 . C5' A 14 . C4' A 14 . C3' A 14 . O3' parsed_2krp 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 15 . C5' A 15 . C4' A 15 . C3' A 15 . O3' parsed_2krp 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 100 . A 16 . C5' A 16 . C4' A 16 . C3' A 16 . O3' parsed_2krp 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 190 . A 11 . C5' A 11 . C4' A 11 . C3' A 11 . O3' parsed_2krp 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 190 . A 8 . C5' A 8 . C4' A 8 . C3' A 8 . O3' parsed_2krp 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 190 . A 9 . C5' A 9 . C4' A 9 . C3' A 9 . O3' parsed_2krp 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 1 . O4' A 1 . C1' A 1 . N1 A 1 . C2 parsed_2krp 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 2 . O4' A 2 . C1' A 2 . N1 A 2 . C2 parsed_2krp 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 3 . O4' A 3 . C1' A 3 . N1 A 3 . C2 parsed_2krp 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 4 . O4' A 4 . C1' A 4 . N9 A 4 . C4 parsed_2krp 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 5 . O4' A 5 . C1' A 5 . N9 A 5 . C4 parsed_2krp 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 6 . O4' A 6 . C1' A 6 . N1 A 6 . C2 parsed_2krp 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 13 . O4' A 13 . C1' A 13 . N1 A 13 . C2 parsed_2krp 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 14 . O4' A 14 . C1' A 14 . N1 A 14 . C2 parsed_2krp 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 15 . O4' A 15 . C1' A 15 . N9 A 15 . C4 parsed_2krp 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 16 . O4' A 16 . C1' A 16 . N9 A 16 . C4 parsed_2krp 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -143 . A 17 . O4' A 17 . C1' A 17 . N9 A 17 . C4 parsed_2krp 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . A 10 . O4' A 10 . C1' A 10 . N9 A 10 . C4 parsed_2krp 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 1 . C4' A 1 . C3' A 1 . O3' A 2 . P parsed_2krp 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 2 . C4' A 2 . C3' A 2 . O3' A 3 . P parsed_2krp 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 3 . C4' A 3 . C3' A 3 . O3' A 4 . P parsed_2krp 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 4 . C4' A 4 . C3' A 4 . O3' A 5 . P parsed_2krp 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 5 . C4' A 5 . C3' A 5 . O3' A 6 . P parsed_2krp 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183 -123 . A 6 . C4' A 6 . C3' A 6 . O3' A 7 . P parsed_2krp 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 7 . C4' A 7 . C3' A 7 . O3' A 8 . P parsed_2krp 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 8 . C4' A 8 . C3' A 8 . O3' A 9 . P parsed_2krp 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 9 . C4' A 9 . C3' A 9 . O3' A 10 . P parsed_2krp 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 10 . C4' A 10 . C3' A 10 . O3' A 11 . P parsed_2krp 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 11 . C4' A 11 . C3' A 11 . O3' A 12 . P parsed_2krp 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183 -123 . A 12 . C4' A 12 . C3' A 12 . O3' A 13 . P parsed_2krp 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 13 . C4' A 13 . C3' A 13 . O3' A 14 . P parsed_2krp 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 14 . C4' A 14 . C3' A 14 . O3' A 15 . P parsed_2krp 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 15 . C4' A 15 . C3' A 15 . O3' A 16 . P parsed_2krp 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -138 . A 16 . C4' A 16 . C3' A 16 . O3' A 17 . P parsed_2krp 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 "alpha o3'-p-o5'-c5' -> 31P all phosphat together, no important downfield" 1 1 1 74 parsed_2krp 1
2
;
assign (resid 11 and name O3' and segid A) (resid 12 and name P and segid A)
(resid 12 and name O5' and segid A) (resid 12 and name C5' and segid A) 1.0 0 120 2
;
22 1 23 96 parsed_2krp 1
3 "ZETA C3'-O3'-P-O5' 31P all together +- 0.7ppm" 34 1 34 47 parsed_2krp 1
4
;
assign (resid 11 and name C3' and segid A) (resid 11 and name O3' and segid A)
(resid 12 and name P and segid A) (resid 12 and name O5' and segid A) 1.0 0 120 2
;
55 1 56 94 parsed_2krp 1
5
;
beta P-O5'-C5'-C4' stem standard A-form, no restraints for loop (see cosy for restraints: small 3JH4'-H5' and 3JH4'-H5'' -> gauche+),
important 3JH4'-H5' and 3JH4'-H5'' => trans or gauche (-))
;
67 1 68 61 parsed_2krp 1
6 "gamma O5'-C5'-C4'-C3' (gauche (+) 60+-30) stem A-form (31P heterotocsy -> 4JPH4' coupling)" 89 1 89 92 parsed_2krp 1
7 "DELTA SUGAR PUCKER C5'-C4'-C3'-O3' 85+-15 c3'-endo; 160+-30 c2'-endo cosy 3JH1'-H2'" 112 1 112 85 parsed_2krp 1
8 "sugar pucker C2'-endo => C35, A34 and A37 145+_ 30" 135 1 135 52 parsed_2krp 1
9
;
sugar pucker G36 U33, G43 => unrestrained
CHI PURINE O4'-C1'-N9-C4 -158 Chi angle for C2'-endo residue -130+-40 (C35, U34 and A37)
PYRIMIDINE O4'-C1'-N1-C2 based on intra-noe H8/H6-H1'
;
142 1 144 56 parsed_2krp 1
10
;
assign (resid 7 and name O4' and segid A) (resid 7 and name C1' and segid A)
(resid 7 and name N1 and segid A) (resid 7 and name C2 and segid A) 1.0 -158 30 2
assign (resid 8 and name O4' and segid A) (resid 8 and name C1' and segid A)
(resid 8 and name N9 and segid A) (resid 8 and name C4 and segid A) 1.0 -158 40 2
assign (resid 9 and name O4' and segid A) (resid 9 and name C1' and segid A)
(resid 9 and name N1 and segid A) (resid 9 and name C2 and segid A) 1.0 -158 40 2
assign (resid 11 and name O4' and segid A) (resid 11 and name C1' and segid A)
(resid 11 and name N9 and segid A) (resid 11 and name C4 and segid A) 1.0 -158 40 2
assign (resid 12 and name O4' and segid A) (resid 12 and name C1' and segid A)
(resid 12 and name N9 and segid A) (resid 12 and name C4 and segid A) 1.0 -158 40 2
;
157 1 166 96 parsed_2krp 1
11 "chi syn for G36 60 +_30 syn residue" 177 1 177 38 parsed_2krp 1
12 "EPSILON C4'-C3'-O3'-P stem A form -153; loop residues constraint to avoid gauche+ conformation (steric clashes)" 180 1 180 114 parsed_2krp 1
stop_
save_
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