NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
570849 |
2mda   |
19482 | cing | 2-parsed | STAR | dihedral angle | 138 |
data_2mda_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mda
_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_2mda 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mda
_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 2mda "Master copy" parsed_2mda
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mda
_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 2mda.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 2 distance NOE ambi 10 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 112 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 5 distance NOE simple 16 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 138 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_2mda 1
1 2mda.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2mda 1
1 2mda.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mda 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mda
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -34.0 . " A" 68 . C " A" 69 . N " A" 69 . CA " A" 69 . C parsed_2mda 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 32.0 . " A" 69 . N " A" 69 . CA " A" 69 . C " A" 70 . N parsed_2mda 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.2 -45.0 . " A" 70 . C " A" 71 . N " A" 71 . CA " A" 71 . C parsed_2mda 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.5 59.3 . " A" 71 . N " A" 71 . CA " A" 71 . C " A" 72 . N parsed_2mda 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -261.0 105.0 . " A" 71 . C " A" 72 . N " A" 72 . CA " A" 72 . C parsed_2mda 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.0 193.0 . " A" 72 . N " A" 72 . CA " A" 72 . C " A" 73 . N parsed_2mda 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -56.6 . " A" 72 . C " A" 73 . N " A" 73 . CA " A" 73 . C parsed_2mda 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.8 212.4 . " A" 73 . N " A" 73 . CA " A" 73 . C " A" 74 . N parsed_2mda 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.1 -89.1 . " A" 73 . C " A" 74 . N " A" 74 . CA " A" 74 . C parsed_2mda 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.7 185.5 . " A" 74 . N " A" 74 . CA " A" 74 . C " A" 75 . N parsed_2mda 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.1 -62.3 . " A" 74 . C " A" 75 . N " A" 75 . CA " A" 75 . C parsed_2mda 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.3 186.5 . " A" 75 . N " A" 75 . CA " A" 75 . C " A" 76 . N parsed_2mda 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.9 -39.5 . " A" 75 . C " A" 76 . N " A" 76 . CA " A" 76 . C parsed_2mda 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.0 185.6 . " A" 76 . N " A" 76 . CA " A" 76 . C " A" 77 . N parsed_2mda 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.3 -96.9 . " A" 76 . C " A" 77 . N " A" 77 . CA " A" 77 . C parsed_2mda 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 147.0 . " A" 77 . N " A" 77 . CA " A" 77 . C " A" 78 . N parsed_2mda 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.4 70.4 . " A" 77 . C " A" 78 . N " A" 78 . CA " A" 78 . C parsed_2mda 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.2 63.2 . " A" 78 . N " A" 78 . CA " A" 78 . C " A" 79 . N parsed_2mda 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.0 98.0 . " A" 78 . C " A" 79 . N " A" 79 . CA " A" 79 . C parsed_2mda 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 41.0 . " A" 79 . N " A" 79 . CA " A" 79 . C " A" 80 . N parsed_2mda 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.8 -70.2 . " A" 80 . C " A" 81 . N " A" 81 . CA " A" 81 . C parsed_2mda 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 186.4 . " A" 81 . N " A" 81 . CA " A" 81 . C " A" 82 . N parsed_2mda 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.8 -57.8 . " A" 81 . C " A" 82 . N " A" 82 . CA " A" 82 . C parsed_2mda 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.2 180.4 . " A" 82 . N " A" 82 . CA " A" 82 . C " A" 83 . N parsed_2mda 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -223.5 -32.9 . " A" 82 . C " A" 83 . N " A" 83 . CA " A" 83 . C parsed_2mda 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.1 245.1 . " A" 83 . N " A" 83 . CA " A" 83 . C " A" 84 . N parsed_2mda 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.3 -76.3 . " A" 83 . C " A" 84 . N " A" 84 . CA " A" 84 . C parsed_2mda 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.8 171.8 . " A" 84 . N " A" 84 . CA " A" 84 . C " A" 85 . N parsed_2mda 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.1 -102.7 . " A" 84 . C " A" 85 . N " A" 85 . CA " A" 85 . C parsed_2mda 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.9 192.3 . " A" 85 . N " A" 85 . CA " A" 85 . C " A" 86 . N parsed_2mda 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.6 -93.2 . " A" 85 . C " A" 86 . N " A" 86 . CA " A" 86 . C parsed_2mda 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 192.1 . " A" 86 . N " A" 86 . CA " A" 86 . C " A" 87 . N parsed_2mda 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.1 -60.1 . " A" 87 . C " A" 88 . N " A" 88 . CA " A" 88 . C parsed_2mda 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.1 172.7 . " A" 88 . N " A" 88 . CA " A" 88 . C " A" 89 . N parsed_2mda 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.0 -8.6 . " A" 88 . C " A" 89 . N " A" 89 . CA " A" 89 . C parsed_2mda 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.7 217.1 . " A" 89 . N " A" 89 . CA " A" 89 . C " A" 90 . N parsed_2mda 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.9 -59.5 . " A" 94 . C " A" 95 . N " A" 95 . CA " A" 95 . C parsed_2mda 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.1 38.5 . " A" 95 . N " A" 95 . CA " A" 95 . C " A" 96 . N parsed_2mda 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -29.0 . " A" 96 . C " A" 97 . N " A" 97 . CA " A" 97 . C parsed_2mda 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 3.0 . " A" 97 . N " A" 97 . CA " A" 97 . C " A" 98 . N parsed_2mda 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.4 -41.4 . " A" 97 . C " A" 98 . N " A" 98 . CA " A" 98 . C parsed_2mda 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.7 -23.7 . " A" 98 . N " A" 98 . CA " A" 98 . C " A" 99 . N parsed_2mda 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . " A" 98 . C " A" 99 . N " A" 99 . CA " A" 99 . C parsed_2mda 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 -21.8 . " A" 99 . N " A" 99 . CA " A" 99 . C " A" 100 . N parsed_2mda 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . " A" 99 . C " A" 100 . N " A" 100 . CA " A" 100 . C parsed_2mda 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.8 -25.8 . " A" 100 . N " A" 100 . CA " A" 100 . C " A" 101 . N parsed_2mda 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -43.2 . " A" 100 . C " A" 101 . N " A" 101 . CA " A" 101 . C parsed_2mda 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . " A" 101 . N " A" 101 . CA " A" 101 . C " A" 102 . N parsed_2mda 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . " A" 101 . C " A" 102 . N " A" 102 . CA " A" 102 . C parsed_2mda 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . " A" 102 . N " A" 102 . CA " A" 102 . C " A" 103 . N parsed_2mda 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . " A" 102 . C " A" 103 . N " A" 103 . CA " A" 103 . C parsed_2mda 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.3 -24.9 . " A" 103 . N " A" 103 . CA " A" 103 . C " A" 104 . N parsed_2mda 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.1 -38.1 . " A" 103 . C " A" 104 . N " A" 104 . CA " A" 104 . C parsed_2mda 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.7 -18.7 . " A" 104 . N " A" 104 . CA " A" 104 . C " A" 105 . N parsed_2mda 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . " A" 104 . C " A" 105 . N " A" 105 . CA " A" 105 . C parsed_2mda 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.9 -18.9 . " A" 105 . N " A" 105 . CA " A" 105 . C " A" 106 . N parsed_2mda 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.3 -41.3 . " A" 105 . C " A" 106 . N " A" 106 . CA " A" 106 . C parsed_2mda 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -15.7 . " A" 106 . N " A" 106 . CA " A" 106 . C " A" 107 . N parsed_2mda 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.4 -67.4 . " A" 106 . C " A" 107 . N " A" 107 . CA " A" 107 . C parsed_2mda 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.8 43.0 . " A" 107 . N " A" 107 . CA " A" 107 . C " A" 108 . N parsed_2mda 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.2 79.6 . " A" 107 . C " A" 108 . N " A" 108 . CA " A" 108 . C parsed_2mda 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.6 60.4 . " A" 108 . N " A" 108 . CA " A" 108 . C " A" 109 . N parsed_2mda 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.7 -29.9 . " A" 108 . C " A" 109 . N " A" 109 . CA " A" 109 . C parsed_2mda 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.7 179.5 . " A" 109 . N " A" 109 . CA " A" 109 . C " A" 110 . N parsed_2mda 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.7 -43.1 . " A" 109 . C " A" 110 . N " A" 110 . CA " A" 110 . C parsed_2mda 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.7 179.9 . " A" 110 . N " A" 110 . CA " A" 110 . C " A" 111 . N parsed_2mda 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.4 -63.4 . " A" 110 . C " A" 111 . N " A" 111 . CA " A" 111 . C parsed_2mda 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.6 149.4 . " A" 111 . N " A" 111 . CA " A" 111 . C " A" 112 . N parsed_2mda 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.3 -61.3 . " A" 111 . C " A" 112 . N " A" 112 . CA " A" 112 . C parsed_2mda 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.9 -10.7 . " A" 112 . N " A" 112 . CA " A" 112 . C " A" 113 . N parsed_2mda 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.7 -94.7 . " A" 113 . C " A" 114 . N " A" 114 . CA " A" 114 . C parsed_2mda 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.1 183.3 . " A" 114 . N " A" 114 . CA " A" 114 . C " A" 115 . N parsed_2mda 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.7 -97.1 . " A" 114 . C " A" 115 . N " A" 115 . CA " A" 115 . C parsed_2mda 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.3 195.7 . " A" 115 . N " A" 115 . CA " A" 115 . C " A" 116 . N parsed_2mda 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.4 -78.6 . " A" 115 . C " A" 116 . N " A" 116 . CA " A" 116 . C parsed_2mda 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 187.6 . " A" 116 . N " A" 116 . CA " A" 116 . C " A" 117 . N parsed_2mda 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.9 -43.7 . " A" 117 . C " A" 118 . N " A" 118 . CA " A" 118 . C parsed_2mda 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 172.8 . " A" 118 . N " A" 118 . CA " A" 118 . C " A" 119 . N parsed_2mda 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.4 -46.8 . " A" 118 . C " A" 119 . N " A" 119 . CA " A" 119 . C parsed_2mda 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.2 195.4 . " A" 119 . N " A" 119 . CA " A" 119 . C " A" 120 . N parsed_2mda 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.3 -42.5 . " A" 127 . C " A" 128 . N " A" 128 . CA " A" 128 . C parsed_2mda 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.5 189.7 . " A" 128 . N " A" 128 . CA " A" 128 . C " A" 129 . N parsed_2mda 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -198.5 -25.3 . " A" 128 . C " A" 129 . N " A" 129 . CA " A" 129 . C parsed_2mda 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.8 181.4 . " A" 129 . N " A" 129 . CA " A" 129 . C " A" 130 . N parsed_2mda 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -202.5 -58.9 . " A" 129 . C " A" 130 . N " A" 130 . CA " A" 130 . C parsed_2mda 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 181.0 . " A" 130 . N " A" 130 . CA " A" 130 . C " A" 131 . N parsed_2mda 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -207.3 -48.5 . " A" 130 . C " A" 131 . N " A" 131 . CA " A" 131 . C parsed_2mda 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.6 206.6 . " A" 131 . N " A" 131 . CA " A" 131 . C " A" 132 . N parsed_2mda 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.6 -48.0 . " A" 131 . C " A" 132 . N " A" 132 . CA " A" 132 . C parsed_2mda 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.3 157.3 . " A" 132 . N " A" 132 . CA " A" 132 . C " A" 133 . N parsed_2mda 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.2 -88.6 . " A" 132 . C " A" 133 . N " A" 133 . CA " A" 133 . C parsed_2mda 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.9 177.5 . " A" 133 . N " A" 133 . CA " A" 133 . C " A" 134 . N parsed_2mda 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.1 -65.5 . " A" 133 . C " A" 134 . N " A" 134 . CA " A" 134 . C parsed_2mda 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.1 153.5 . " A" 134 . N " A" 134 . CA " A" 134 . C " A" 135 . N parsed_2mda 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.6 -91.2 . " A" 134 . C " A" 135 . N " A" 135 . CA " A" 135 . C parsed_2mda 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.4 184.4 . " A" 135 . N " A" 135 . CA " A" 135 . C " A" 136 . N parsed_2mda 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.1 -95.9 . " A" 135 . C " A" 136 . N " A" 136 . CA " A" 136 . C parsed_2mda 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.1 169.1 . " A" 136 . N " A" 136 . CA " A" 136 . C " A" 137 . N parsed_2mda 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -94.2 . " A" 136 . C " A" 137 . N " A" 137 . CA " A" 137 . C parsed_2mda 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.7 216.9 . " A" 137 . N " A" 137 . CA " A" 137 . C " A" 138 . N parsed_2mda 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . " A" 137 . C " A" 138 . N " A" 138 . CA " A" 138 . C parsed_2mda 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 167.8 . " A" 138 . N " A" 138 . CA " A" 138 . C " A" 139 . N parsed_2mda 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.8 -34.8 . " A" 138 . C " A" 139 . N " A" 139 . CA " A" 139 . C parsed_2mda 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 -17.7 . " A" 139 . N " A" 139 . CA " A" 139 . C " A" 140 . N parsed_2mda 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -46.3 . " A" 139 . C " A" 140 . N " A" 140 . CA " A" 140 . C parsed_2mda 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.9 26.9 . " A" 140 . N " A" 140 . CA " A" 140 . C " A" 141 . N parsed_2mda 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.7 -21.1 . " A" 140 . C " A" 141 . N " A" 141 . CA " A" 141 . C parsed_2mda 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 53.2 . " A" 141 . N " A" 141 . CA " A" 141 . C " A" 142 . N parsed_2mda 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -26.2 . " A" 141 . C " A" 142 . N " A" 142 . CA " A" 142 . C parsed_2mda 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -11.1 . " A" 142 . N " A" 142 . CA " A" 142 . C " A" 143 . N parsed_2mda 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.7 -35.9 . " A" 142 . C " A" 143 . N " A" 143 . CA " A" 143 . C parsed_2mda 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.4 -18.4 . " A" 143 . N " A" 143 . CA " A" 143 . C " A" 144 . N parsed_2mda 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . " A" 143 . C " A" 144 . N " A" 144 . CA " A" 144 . C parsed_2mda 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.4 -13.0 . " A" 144 . N " A" 144 . CA " A" 144 . C " A" 145 . N parsed_2mda 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . " A" 144 . C " A" 145 . N " A" 145 . CA " A" 145 . C parsed_2mda 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -26.0 . " A" 145 . N " A" 145 . CA " A" 145 . C " A" 146 . N parsed_2mda 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -41.0 . " A" 145 . C " A" 146 . N " A" 146 . CA " A" 146 . C parsed_2mda 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.9 -24.1 . " A" 146 . N " A" 146 . CA " A" 146 . C " A" 147 . N parsed_2mda 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . " A" 146 . C " A" 147 . N " A" 147 . CA " A" 147 . C parsed_2mda 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . " A" 147 . N " A" 147 . CA " A" 147 . C " A" 148 . N parsed_2mda 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . " A" 147 . C " A" 148 . N " A" 147 . CA " A" 148 . C parsed_2mda 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.5 -4.1 . " A" 147 . N " A" 148 . CA " A" 148 . C " A" 149 . N parsed_2mda 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . " A" 148 . C " A" 149 . N " A" 149 . CA " A" 149 . C parsed_2mda 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.6 -21.6 . " A" 149 . N " A" 149 . CA " A" 149 . C " A" 150 . N parsed_2mda 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . " A" 149 . C " A" 150 . N " A" 150 . CA " A" 150 . C parsed_2mda 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -6.1 . " A" 150 . N " A" 150 . CA " A" 150 . C " A" 151 . N parsed_2mda 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.2 -24.6 . " A" 150 . C " A" 151 . N " A" 151 . CA " A" 151 . C parsed_2mda 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.8 18.8 . " A" 151 . N " A" 151 . CA " A" 151 . C " A" 152 . N parsed_2mda 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.9 -63.5 . " A" 151 . C " A" 152 . N " A" 152 . CA " A" 152 . C parsed_2mda 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.5 39.3 . " A" 152 . N " A" 152 . CA " A" 152 . C " A" 153 . N parsed_2mda 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -206.8 -13.4 . " A" 152 . C " A" 153 . N " A" 153 . CA " A" 153 . C parsed_2mda 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.8 187.4 . " A" 153 . N " A" 153 . CA " A" 153 . C " A" 154 . N parsed_2mda 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.9 -46.1 . " A" 154 . C " A" 155 . N " A" 155 . CA " A" 155 . C parsed_2mda 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 51.4 . " A" 155 . N " A" 155 . CA " A" 155 . C " A" 156 . N parsed_2mda 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -203.5 -43.7 . " A" 156 . C " A" 157 . N " A" 157 . CA " A" 157 . C parsed_2mda 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.0 210.4 . " A" 157 . N " A" 157 . CA " A" 157 . C " A" 158 . N parsed_2mda 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.5 -26.9 . " A" 157 . C " A" 158 . N " A" 158 . CA " A" 158 . C parsed_2mda 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.9 182.5 . " A" 158 . N " A" 158 . CA " A" 158 . C " A" 159 . N parsed_2mda 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
;
These Phi and Psi constraints are based on the results of TALOS
only for residues with 'Good' status.
The center value is the avergae of TALOS predictions.
The range of constraints are three times of standard deviation
of TALOS predictions. But if such a value is smaller than 20
degree, the range is set to 20 degree.
J.I.
L5 (TALOS: Phi -82.0 +/- 16.0 , TALOS: Psi -4.0 +/- 12.0 )
;
1 1 11 62 parsed_2mda 1
2 "A7 (TALOS: Phi -96.1 +/- 17.0 , TALOS: Psi -5.1 +/- 21.5 )" 16 1 16 62 parsed_2mda 1
3 "V8 (TALOS: Phi -78.0 +/- 61.0 , TALOS: Psi 133.0 +/- 20.0 )" 21 1 21 62 parsed_2mda 1
4 "V9 (TALOS: Phi -114.3 +/- 19.2 , TALOS: Psi 136.1 +/- 25.4 )" 26 1 26 63 parsed_2mda 1
5 "F10 (TALOS: Phi -136.6 +/- 15.8 , TALOS: Psi 152.1 +/- 11.1 )" 31 1 31 64 parsed_2mda 1
6 "E11 (TALOS: Phi -130.7 +/- 22.8 , TALOS: Psi 134.9 +/- 17.2 )" 36 1 36 64 parsed_2mda 1
7 "E12 (TALOS: Phi -107.7 +/- 22.7 , TALOS: Psi 136.8 +/- 16.3 )" 41 1 41 64 parsed_2mda 1
8 "R13 (TALOS: Phi -137.6 +/- 13.6 , TALOS: Psi 127.0 +/- 6.4 )" 46 1 46 65 parsed_2mda 1
9 "D14 (TALOS: Phi 50.4 +/- 5.0 , TALOS: Psi 43.2 +/- 3.6 )" 51 1 51 63 parsed_2mda 1
10 "G15 (TALOS: Phi 77.0 +/- 7.0 , TALOS: Psi 5.0 +/- 12.0 )" 56 1 56 63 parsed_2mda 1
11 "A17 (TALOS: Phi -131.0 +/- 20.3 , TALOS: Psi 144.8 +/- 13.9 )" 61 1 61 64 parsed_2mda 1
12 "V18 (TALOS: Phi -110.3 +/- 17.5 , TALOS: Psi 135.8 +/- 14.9 )" 66 1 66 64 parsed_2mda 1
13 "L19 (TALOS: Phi -128.2 +/- 31.8 , TALOS: Psi 153.1 +/- 30.7 )" 71 1 71 64 parsed_2mda 1
14 "N20 (TALOS: Phi -129.8 +/- 17.8 , TALOS: Psi 140.3 +/- 10.5 )" 76 1 76 64 parsed_2mda 1
15 "L21 (TALOS: Phi -138.4 +/- 11.9 , TALOS: Psi 145.1 +/- 15.7 )" 81 1 81 64 parsed_2mda 1
16 "L22 (TALOS: Phi -128.9 +/- 11.9 , TALOS: Psi 150.5 +/- 13.9 )" 86 1 86 64 parsed_2mda 1
17 "S24 (TALOS: Phi -128.6 +/- 22.8 , TALOS: Psi 151.4 +/- 7.1 )" 91 1 91 64 parsed_2mda 1
18 "L25 (TALOS: Phi -102.8 +/- 31.4 , TALOS: Psi 138.9 +/- 26.1 )" 96 1 96 64 parsed_2mda 1
19 "S31 (TALOS: Phi -96.7 +/- 12.4 , TALOS: Psi -5.3 +/- 14.6 )" 101 1 101 63 parsed_2mda 1
20 "L33 (TALOS: Phi -65.0 +/- 12.0 , TALOS: Psi -33.0 +/- 12.0 )" 106 1 106 63 parsed_2mda 1
21 "S34 (TALOS: Phi -61.4 +/- 3.0 , TALOS: Psi -43.7 +/- 4.5 )" 111 1 111 63 parsed_2mda 1
22 "R35 (TALOS: Phi -64.0 +/- 3.8 , TALOS: Psi -43.6 +/- 7.3 )" 116 1 116 63 parsed_2mda 1
23 "A36 (TALOS: Phi -62.6 +/- 5.5 , TALOS: Psi -45.8 +/- 4.8 )" 121 1 121 63 parsed_2mda 1
24 "V37 (TALOS: Phi -65.2 +/- 7.3 , TALOS: Psi -42.1 +/- 4.7 )" 126 1 126 63 parsed_2mda 1
25 "K38 (TALOS: Phi -66.0 +/- 5.4 , TALOS: Psi -42.1 +/- 5.9 )" 131 1 131 63 parsed_2mda 1
26 "V39 (TALOS: Phi -62.0 +/- 3.9 , TALOS: Psi -45.1 +/- 6.7 )" 136 1 136 63 parsed_2mda 1
27 "F40 (TALOS: Phi -58.1 +/- 5.4 , TALOS: Psi -40.2 +/- 7.2 )" 141 1 141 63 parsed_2mda 1
28 "E41 (TALOS: Phi -65.0 +/- 3.1 , TALOS: Psi -38.9 +/- 6.3 )" 146 1 146 63 parsed_2mda 1
29 "T42 (TALOS: Phi -61.3 +/- 5.5 , TALOS: Psi -36.5 +/- 6.9 )" 151 1 151 63 parsed_2mda 1
30 "F43 (TALOS: Phi -94.9 +/- 9.2 , TALOS: Psi 7.6 +/- 11.8 )" 156 1 156 63 parsed_2mda 1
31 "E44 (TALOS: Phi 59.4 +/- 6.7 , TALOS: Psi 37.0 +/- 7.8 )" 161 1 161 63 parsed_2mda 1
32 "A45 (TALOS: Phi -96.8 +/- 22.3 , TALOS: Psi 138.6 +/- 13.6 )" 166 1 166 63 parsed_2mda 1
33 "K46 (TALOS: Phi -93.4 +/- 16.8 , TALOS: Psi 133.3 +/- 15.5 )" 171 1 171 63 parsed_2mda 1
34 "I47 (TALOS: Phi -83.4 +/- 5.2 , TALOS: Psi 122.0 +/- 9.1 )" 176 1 176 63 parsed_2mda 1
35 "H48 (TALOS: Phi -97.8 +/- 12.2 , TALOS: Psi -35.8 +/- 8.4 )" 181 1 181 63 parsed_2mda 1
36 "L50 (TALOS: Phi -139.2 +/- 14.8 , TALOS: Psi 156.2 +/- 9.0 )" 186 1 186 64 parsed_2mda 1
37 "E51 (TALOS: Phi -134.4 +/- 12.4 , TALOS: Psi 141.5 +/- 18.1 )" 191 1 191 64 parsed_2mda 1
38 "T52 (TALOS: Phi -122.5 +/- 14.6 , TALOS: Psi 149.3 +/- 12.8 )" 196 1 196 64 parsed_2mda 1
39 "P54 (TALOS: Phi -66.8 +/- 7.7 , TALOS: Psi 142.9 +/- 10.0 )" 201 1 201 63 parsed_2mda 1
40 "A55 (TALOS: Phi -109.1 +/- 20.8 , TALOS: Psi 133.3 +/- 20.7 )" 206 1 206 64 parsed_2mda 1
41 "H64 (TALOS: Phi -113.4 +/- 23.6 , TALOS: Psi 131.1 +/- 19.5 )" 211 1 211 64 parsed_2mda 1
42 "L65 (TALOS: Phi -111.9 +/- 28.9 , TALOS: Psi 149.1 +/- 10.8 )" 216 1 216 64 parsed_2mda 1
43 "E66 (TALOS: Phi -130.7 +/- 23.9 , TALOS: Psi 153.0 +/- 9.3 )" 221 1 221 64 parsed_2mda 1
44 "Y67 (TALOS: Phi -127.9 +/- 26.5 , TALOS: Psi 146.1 +/- 20.2 )" 226 1 226 64 parsed_2mda 1
45 "F68 (TALOS: Phi -117.8 +/- 23.3 , TALOS: Psi 124.8 +/- 10.8 )" 231 1 231 64 parsed_2mda 1
46 "V69 (TALOS: Phi -123.9 +/- 11.8 , TALOS: Psi 137.7 +/- 13.3 )" 236 1 236 64 parsed_2mda 1
47 "R70 (TALOS: Phi -116.8 +/- 17.1 , TALOS: Psi 129.8 +/- 7.9 )" 241 1 241 64 parsed_2mda 1
48 "F71 (TALOS: Phi -130.9 +/- 13.2 , TALOS: Psi 156.9 +/- 9.2 )" 246 1 246 64 parsed_2mda 1
49 "E72 (TALOS: Phi -128.5 +/- 10.9 , TALOS: Psi 149.1 +/- 5.5 )" 251 1 251 64 parsed_2mda 1
50 "V73 (TALOS: Phi -130.1 +/- 12.0 , TALOS: Psi 133.8 +/- 27.7 )" 256 1 256 64 parsed_2mda 1
51 "P74 (TALOS: Phi -60.0 +/- 6.3 , TALOS: Psi 141.4 +/- 8.8 )" 261 1 261 63 parsed_2mda 1
52 "S75 (TALOS: Phi -54.8 +/- 3.8 , TALOS: Psi -37.7 +/- 6.7 )" 266 1 266 63 parsed_2mda 1
53 "G76 (TALOS: Phi -71.3 +/- 8.3 , TALOS: Psi -15.5 +/- 14.1 )" 271 1 271 63 parsed_2mda 1
54 "D77 (TALOS: Phi -87.9 +/- 22.3 , TALOS: Psi -12.4 +/- 21.9 )" 276 1 276 63 parsed_2mda 1
55 "L78 (TALOS: Phi -57.6 +/- 10.5 , TALOS: Psi -48.5 +/- 12.5 )" 281 1 281 63 parsed_2mda 1
56 "A79 (TALOS: Phi -58.3 +/- 7.5 , TALOS: Psi -42.9 +/- 8.2 )" 286 1 286 63 parsed_2mda 1
57 "A80 (TALOS: Phi -64.5 +/- 2.6 , TALOS: Psi -39.7 +/- 8.9 )" 291 1 291 63 parsed_2mda 1
58 "L81 (TALOS: Phi -63.4 +/- 4.9 , TALOS: Psi -46.0 +/- 4.4 )" 296 1 296 63 parsed_2mda 1
59 "L82 (TALOS: Phi -61.0 +/- 3.9 , TALOS: Psi -44.5 +/- 6.8 )" 301 1 301 63 parsed_2mda 1
60 "S83 (TALOS: Phi -63.0 +/- 2.6 , TALOS: Psi -39.5 +/- 4.4 )" 306 1 306 63 parsed_2mda 1
61 "S84 (TALOS: Phi -65.9 +/- 5.7 , TALOS: Psi -37.3 +/- 11.1 )" 311 1 311 63 parsed_2mda 1
62 "V85 (TALOS: Phi -65.9 +/- 5.5 , TALOS: Psi -41.6 +/- 5.2 )" 316 1 316 63 parsed_2mda 1
63 "R86 (TALOS: Phi -65.5 +/- 5.6 , TALOS: Psi -34.4 +/- 9.4 )" 321 1 321 63 parsed_2mda 1
64 "R87 (TALOS: Phi -68.9 +/- 14.8 , TALOS: Psi -27.5 +/- 15.4 )" 326 1 326 63 parsed_2mda 1
65 "V88 (TALOS: Phi -105.7 +/- 14.1 , TALOS: Psi -4.6 +/- 14.6 )" 331 1 331 64 parsed_2mda 1
66 "S89 (TALOS: Phi -110.1 +/- 32.2 , TALOS: Psi 154.1 +/- 11.1 )" 336 1 336 64 parsed_2mda 1
67 "D91 (TALOS: Phi -93.5 +/- 15.8 , TALOS: Psi 1.2 +/- 16.7 )" 341 1 341 63 parsed_2mda 1
68 "R93 (TALOS: Phi -123.6 +/- 26.6 , TALOS: Psi 147.2 +/- 21.1 )" 346 1 346 64 parsed_2mda 1
69 "S94 (TALOS: Phi -96.2 +/- 23.1 , TALOS: Psi 124.2 +/- 19.4 )" 351 1 351 63 parsed_2mda 1
stop_
save_
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