NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
581297 |
2ml3   |
16956 | cing | 2-parsed | STAR | dihedral angle | 96 |
data_2ml3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ml3
_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_2ml3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ml3
_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 2ml3 "Master copy" parsed_2ml3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ml3
_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 2ml3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ml3 1
1 2ml3.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 96 parsed_2ml3 1
1 2ml3.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2ml3 1
1 2ml3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ml3 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ml3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2ml3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2ml3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.00 -44.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2ml3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 0.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2ml3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2ml3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 166.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2ml3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.00 -84.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2ml3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 158.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2ml3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -98.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2ml3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 184.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2ml3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.00 -103.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2ml3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 162.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2ml3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -57.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2ml3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 163.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2ml3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.00 -73.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2ml3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 170.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2ml3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2ml3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2ml3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2ml3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -42.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2ml3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -54.00 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2ml3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.00 157.00 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2ml3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -96.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2ml3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 172.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2ml3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.00 -117.00 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2ml3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.00 174.00 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2ml3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -82.00 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2ml3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.00 149.00 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2ml3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -85.00 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2ml3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 166.00 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2ml3 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -86.00 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2ml3 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.00 159.00 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2ml3 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -92.00 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2ml3 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.00 151.00 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2ml3 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -31.00 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2ml3 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -17.00 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2ml3 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2ml3 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -13.00 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2ml3 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.00 -117.00 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2ml3 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 184.00 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2ml3 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.00 -112.00 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2ml3 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 176.00 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2ml3 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -49.00 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2ml3 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 158.00 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2ml3 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.00 -48.00 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2ml3 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -6.00 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2ml3 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.00 -46.00 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2ml3 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -4.00 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2ml3 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.00 -121.00 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2ml3 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 184.00 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2ml3 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -96.00 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2ml3 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 158.00 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_2ml3 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.00 -39.00 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2ml3 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2ml3 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2ml3 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2ml3 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.00 -41.00 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2ml3 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -5.00 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2ml3 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.00 -115.00 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2ml3 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 179.00 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2ml3 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -98.00 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2ml3 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.00 174.00 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2ml3 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.00 -97.00 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2ml3 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.00 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2ml3 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.00 -105.00 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2ml3 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2ml3 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -108.00 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2ml3 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 176.00 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2ml3 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -101.00 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2ml3 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 171.00 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2ml3 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -100.00 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2ml3 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 176.00 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2ml3 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.00 -106.00 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2ml3 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.00 186.00 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2ml3 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.00 -93.00 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2ml3 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 163.00 . . 129 . N . 129 . CA . 129 . C . 130 . N parsed_2ml3 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -79.00 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_2ml3 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.00 167.00 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_2ml3 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 131 . C . 132 . N . 132 . CA . 132 . C parsed_2ml3 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 132 . N . 132 . CA . 132 . C . 133 . N parsed_2ml3 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.00 -39.00 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_2ml3 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -5.00 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_2ml3 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.00 -113.00 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_2ml3 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 171.00 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_2ml3 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -108.00 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_2ml3 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 171.00 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_2ml3 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -108.00 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_2ml3 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 165.00 . . 141 . N . 141 . CA . 141 . C . 142 . N parsed_2ml3 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 145 . C . 146 . N . 146 . CA . 146 . C parsed_2ml3 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -6.00 . . 146 . N . 146 . CA . 146 . C . 147 . N parsed_2ml3 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 146 . C . 147 . N . 147 . CA . 147 . C parsed_2ml3 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 147 . N . 147 . CA . 147 . C . 148 . N parsed_2ml3 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 150 . C . 151 . N . 151 . CA . 151 . C parsed_2ml3 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 151 . N . 151 . CA . 151 . C . 152 . N parsed_2ml3 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -37.00 . . 151 . C . 152 . N . 152 . CA . 152 . C parsed_2ml3 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 152 . N . 152 . CA . 152 . C . 153 . N parsed_2ml3 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
;
XPLOR restraints file generated from CYANA aco file
AlgE6R3-talos.aco by xtools
PHI 13
;
1 1 4 9 parsed_2ml3 1
2 "PSI 13" 7 1 7 9 parsed_2ml3 1
3 "PHI 14" 10 1 10 9 parsed_2ml3 1
4 "PSI 14" 13 1 13 9 parsed_2ml3 1
5 "PHI 16" 16 1 16 9 parsed_2ml3 1
6 "PSI 16" 19 1 19 9 parsed_2ml3 1
7 "PHI 18" 22 1 22 9 parsed_2ml3 1
8 "PSI 18" 25 1 25 9 parsed_2ml3 1
9 "PHI 26" 28 1 28 9 parsed_2ml3 1
10 "PSI 26" 31 1 31 9 parsed_2ml3 1
11 "PHI 28" 34 1 34 9 parsed_2ml3 1
12 "PSI 28" 37 1 37 9 parsed_2ml3 1
13 "PHI 34" 40 1 40 9 parsed_2ml3 1
14 "PSI 34" 43 1 43 9 parsed_2ml3 1
15 "PHI 37" 46 1 46 9 parsed_2ml3 1
16 "PSI 37" 49 1 49 9 parsed_2ml3 1
17 "PHI 39" 52 1 52 9 parsed_2ml3 1
18 "PSI 39" 55 1 55 9 parsed_2ml3 1
19 "PHI 40" 58 1 58 9 parsed_2ml3 1
20
;
PSI 40
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name C) (resid 41 and name N) 1.0 -36.00 30.00 2
PHI 41
;
61 1 64 9 parsed_2ml3 1
21
;
PSI 41
assign (resid 41 and name N) (resid 41 and name CA)
(resid 41 and name C) (resid 42 and name N) 1.0 -32.00 30.00 2
PHI 43
;
67 1 70 9 parsed_2ml3 1
22 "PSI 43" 73 1 73 9 parsed_2ml3 1
23 "PHI 53" 76 1 76 9 parsed_2ml3 1
24 "PSI 53" 79 1 79 9 parsed_2ml3 1
25 "PHI 55" 82 1 82 9 parsed_2ml3 1
26 "PSI 55" 85 1 85 9 parsed_2ml3 1
27 "PHI 56" 88 1 88 9 parsed_2ml3 1
28 "PSI 56" 91 1 91 9 parsed_2ml3 1
29 "PHI 62" 94 1 94 9 parsed_2ml3 1
30 "PSI 62" 97 1 97 9 parsed_2ml3 1
31 "PHI 63" 100 1 100 9 parsed_2ml3 1
32 "PSI 63" 103 1 103 9 parsed_2ml3 1
33 "PHI 64" 106 1 106 9 parsed_2ml3 1
34 "PSI 64" 109 1 109 9 parsed_2ml3 1
35 "PHI 69" 112 1 112 9 parsed_2ml3 1
36 "PSI 69" 115 1 115 9 parsed_2ml3 1
37 "PHI 70" 118 1 118 9 parsed_2ml3 1
38 "PSI 70" 121 1 121 9 parsed_2ml3 1
39
;
PHI 71
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1.0 -69.00 30.00 2
PSI 71
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name C) (resid 72 and name N) 1.0 -40.00 30.00 2
PHI 73
;
124 1 130 9 parsed_2ml3 1
40 "PSI 73" 133 1 133 9 parsed_2ml3 1
41 "PHI 74" 136 1 136 9 parsed_2ml3 1
42 "PSI 74" 139 1 139 9 parsed_2ml3 1
43 "PHI 84" 142 1 142 9 parsed_2ml3 1
44 "PSI 84" 145 1 145 9 parsed_2ml3 1
45 "PHI 90" 148 1 148 9 parsed_2ml3 1
46 "PSI 90" 151 1 151 9 parsed_2ml3 1
47 "PHI 91" 154 1 154 9 parsed_2ml3 1
48 "PSI 91" 157 1 157 9 parsed_2ml3 1
49 "PHI 93" 160 1 160 9 parsed_2ml3 1
50 "PSI 93" 163 1 163 9 parsed_2ml3 1
51 "PHI 94" 166 1 166 9 parsed_2ml3 1
52 "PSI 94" 169 1 169 9 parsed_2ml3 1
53 "PHI 97" 172 1 172 9 parsed_2ml3 1
54 "PSI 97" 175 1 175 9 parsed_2ml3 1
55 "PHI 98" 178 1 178 9 parsed_2ml3 1
56 "PSI 98" 181 1 181 9 parsed_2ml3 1
57 "PHI 99" 184 1 184 9 parsed_2ml3 1
58 "PSI 99" 187 1 187 9 parsed_2ml3 1
59 "PHI 112" 190 1 190 10 parsed_2ml3 1
60 "PSI 112" 193 1 193 10 parsed_2ml3 1
61 "PHI 113" 196 1 196 10 parsed_2ml3 1
62 "PSI 113" 199 1 199 10 parsed_2ml3 1
63 "PHI 114" 202 1 202 10 parsed_2ml3 1
64 "PSI 114" 205 1 205 10 parsed_2ml3 1
65 "PHI 115" 208 1 208 10 parsed_2ml3 1
66 "PSI 115" 211 1 211 10 parsed_2ml3 1
67
;
PHI 120
RW assign (resid 119 and name C) (resid 120 and name N)
RW (resid 120 and name CA) (resid 120 and name C) 1.0 -67.00 30.00 2
PSI 120
RW assign (resid 120 and name N) (resid 120 and name CA)
RW (resid 120 and name C) (resid 121 and name N) 1.0 -39.00 30.00 2
PHI 122
;
214 1 220 10 parsed_2ml3 1
68 "PSI 122" 223 1 223 10 parsed_2ml3 1
69 "PHI 123" 226 1 226 10 parsed_2ml3 1
70 "PSI 123" 229 1 229 10 parsed_2ml3 1
71 "PHI 124" 232 1 232 10 parsed_2ml3 1
72 "PSI 124" 235 1 235 10 parsed_2ml3 1
73 "PHI 126" 238 1 238 10 parsed_2ml3 1
74 "PSI 126" 241 1 241 10 parsed_2ml3 1
75 "PHI 129" 244 1 244 10 parsed_2ml3 1
76 "PSI 129" 247 1 247 10 parsed_2ml3 1
77 "PHI 130" 250 1 250 10 parsed_2ml3 1
78 "PSI 130" 253 1 253 10 parsed_2ml3 1
79 "PHI 132" 256 1 256 10 parsed_2ml3 1
80 "PSI 132" 259 1 259 10 parsed_2ml3 1
81 "PHI 133" 262 1 262 10 parsed_2ml3 1
82 "PSI 133" 265 1 265 10 parsed_2ml3 1
83 "PHI 139" 268 1 268 10 parsed_2ml3 1
84 "PSI 139" 271 1 271 10 parsed_2ml3 1
85 "PHI 140" 274 1 274 10 parsed_2ml3 1
86 "PSI 140" 277 1 277 10 parsed_2ml3 1
87 "PHI 141" 280 1 280 10 parsed_2ml3 1
88 "PSI 141" 283 1 283 10 parsed_2ml3 1
89 "PHI 146" 286 1 286 10 parsed_2ml3 1
90 "PSI 146" 289 1 289 10 parsed_2ml3 1
91 "PHI 147" 292 1 292 10 parsed_2ml3 1
92 "PSI 147" 295 1 295 10 parsed_2ml3 1
93 "PHI 151" 298 1 298 10 parsed_2ml3 1
94 "PSI 151" 301 1 301 10 parsed_2ml3 1
95 "PHI 152" 304 1 304 10 parsed_2ml3 1
96 "PSI 152" 307 1 307 10 parsed_2ml3 1
stop_
save_
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