NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51788 |
2kae   |
16812 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_2kae_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kae
_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_2kae 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kae
_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 2kae "Master copy" parsed_2kae
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kae
_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 2kae.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kae 1
1 2kae.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_2kae 1
1 2kae.mr . . HADDOCK 3 distance NOE ambi 0 parsed_2kae 1
1 2kae.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2kae 1
1 2kae.mr . . XPLOR/CNS 5 distance "general distance" simple 0 parsed_2kae 1
1 2kae.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kae 1
1 2kae.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kae 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kae
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . A 34 . C A 138 . N A 138 . CA A 138 . C parsed_2kae 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -32.0 . A 138 . N A 138 . CA A 138 . C A 139 . N parsed_2kae 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -50.0 . A 138 . C A 139 . N A 139 . CA A 139 . C parsed_2kae 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . A 139 . N A 139 . CA A 139 . C A 140 . N parsed_2kae 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -55.0 . A 139 . C A 140 . N A 140 . CA A 140 . C parsed_2kae 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -27.0 . A 140 . N A 140 . CA A 140 . C A 141 . N parsed_2kae 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -58.0 . A 140 . C A 141 . N A 141 . CA A 141 . C parsed_2kae 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -15.0 . A 141 . N A 141 . CA A 141 . C A 142 . N parsed_2kae 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -48.0 . A 141 . C A 142 . N A 142 . CA A 142 . C parsed_2kae 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -34.0 . A 142 . N A 142 . CA A 142 . C A 143 . N parsed_2kae 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -50.0 . A 142 . C A 143 . N A 143 . CA A 143 . C parsed_2kae 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -16.0 . A 143 . N A 143 . CA A 143 . C A 144 . N parsed_2kae 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -53.0 . A 143 . C A 144 . N A 144 . CA A 144 . C parsed_2kae 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -33.0 . A 144 . N A 144 . CA A 144 . C A 145 . N parsed_2kae 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . A 144 . C A 145 . N A 145 . CA A 145 . C parsed_2kae 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -29.0 . A 145 . N A 145 . CA A 145 . C A 146 . N parsed_2kae 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -49.0 . A 145 . C A 146 . N A 146 . CA A 146 . C parsed_2kae 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 124.0 . A 146 . N A 146 . CA A 146 . C A 147 . N parsed_2kae 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -278.0 24.0 . A 147 . C A 148 . N A 148 . CA A 148 . C parsed_2kae 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 305.0 . A 148 . N A 148 . CA A 148 . C A 149 . N parsed_2kae 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -224.0 54.0 . A 148 . C A 149 . N A 149 . CA A 149 . C parsed_2kae 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 149.0 . A 149 . N A 149 . CA A 149 . C A 150 . N parsed_2kae 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -264.0 58.0 . A 149 . C A 150 . N A 150 . CA A 150 . C parsed_2kae 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.0 281.0 . A 150 . N A 150 . CA A 150 . C A 151 . N parsed_2kae 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -46.0 . A 150 . C A 151 . N A 151 . CA A 151 . C parsed_2kae 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 155.0 . A 151 . N A 151 . CA A 151 . C A 152 . N parsed_2kae 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -41.0 . A 151 . C A 152 . N A 152 . CA A 152 . C parsed_2kae 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -11.0 . A 152 . N A 152 . CA A 152 . C A 153 . N parsed_2kae 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -51.0 . A 152 . C A 153 . N A 153 . CA A 153 . C parsed_2kae 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -27.0 . A 153 . N A 153 . CA A 153 . C A 154 . N parsed_2kae 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -58.0 . A 153 . C A 154 . N A 154 . CA A 154 . C parsed_2kae 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -26.0 . A 154 . N A 154 . CA A 154 . C A 155 . N parsed_2kae 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -53.0 . A 154 . C A 155 . N A 155 . CA A 155 . C parsed_2kae 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -37.0 . A 155 . N A 155 . CA A 155 . C A 156 . N parsed_2kae 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -52.0 . A 155 . C A 156 . N A 156 . CA A 156 . C parsed_2kae 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -29.0 . A 156 . N A 156 . CA A 156 . C A 157 . N parsed_2kae 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -52.0 . A 156 . C A 157 . N A 157 . CA A 157 . C parsed_2kae 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -27.0 . A 157 . N A 157 . CA A 157 . C A 158 . N parsed_2kae 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -46.0 . A 157 . C A 158 . N A 158 . CA A 158 . C parsed_2kae 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -34.0 . A 158 . N A 158 . CA A 158 . C A 159 . N parsed_2kae 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -51.0 . A 158 . C A 159 . N A 159 . CA A 159 . C parsed_2kae 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -34.0 . A 159 . N A 159 . CA A 159 . C A 160 . N parsed_2kae 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . A 159 . C A 160 . N A 160 . CA A 160 . C parsed_2kae 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -30.0 . A 160 . N A 160 . CA A 160 . C A 161 . N parsed_2kae 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . A 160 . C A 161 . N A 161 . CA A 161 . C parsed_2kae 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -15.0 . A 161 . N A 161 . CA A 161 . C A 162 . N parsed_2kae 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -44.0 . A 161 . C A 162 . N A 162 . CA A 162 . C parsed_2kae 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . A 162 . N A 162 . CA A 162 . C A 163 . N parsed_2kae 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -40.0 . A 162 . C A 163 . N A 163 . CA A 163 . C parsed_2kae 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.0 121.0 . A 163 . N A 163 . CA A 163 . C A 164 . N parsed_2kae 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -47.0 . A 163 . C A 164 . N A 164 . CA A 164 . C parsed_2kae 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.0 122.0 . A 164 . N A 164 . CA A 164 . C A 165 . N parsed_2kae 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 angle restraints
helix1
phi residue 138
;
1 1 5 21 parsed_2kae 1
2 "psi residue 138" 8 1 8 21 parsed_2kae 1
3 "phi residue 139" 12 1 12 21 parsed_2kae 1
4 "psi residue 139" 15 1 15 21 parsed_2kae 1
5 "phi residue 140" 19 1 19 21 parsed_2kae 1
6 "psi residue 140" 22 1 22 21 parsed_2kae 1
7 "phi residue 141" 26 1 26 21 parsed_2kae 1
8 "psi residue 141" 29 1 29 21 parsed_2kae 1
9 "phi residue 142" 33 1 33 21 parsed_2kae 1
10 "psi residue 142" 36 1 36 21 parsed_2kae 1
11 "phi residue 143" 40 1 40 21 parsed_2kae 1
12 "psi residue 143" 43 1 43 21 parsed_2kae 1
13 "phi residue 144" 47 1 47 21 parsed_2kae 1
14 "psi residue 144" 50 1 50 21 parsed_2kae 1
15 "phi residue 145" 54 1 54 21 parsed_2kae 1
16 "psi residue 145" 57 1 57 21 parsed_2kae 1
17 "phi residue 146" 61 1 61 21 parsed_2kae 1
18 "psi residue 146" 64 1 64 21 parsed_2kae 1
19 "phi residue 148" 68 1 68 21 parsed_2kae 1
20 "psi residue 148" 71 1 71 21 parsed_2kae 1
21 "phi residue 149" 75 1 75 21 parsed_2kae 1
22 "psi residue 149" 78 1 78 21 parsed_2kae 1
23 "phi residue 150" 82 1 82 21 parsed_2kae 1
24 "psi residue 150" 85 1 85 21 parsed_2kae 1
25 "phi residue 151" 89 1 89 21 parsed_2kae 1
26 "psi residue 151" 92 1 92 21 parsed_2kae 1
27
;
helix2
phi residue 152
;
96 1 97 21 parsed_2kae 1
28 "psi residue 152" 100 1 100 21 parsed_2kae 1
29 "phi residue 153" 104 1 104 21 parsed_2kae 1
30 "psi residue 153" 107 1 107 21 parsed_2kae 1
31 "phi residue 154" 111 1 111 21 parsed_2kae 1
32 "psi residue 154" 114 1 114 21 parsed_2kae 1
33 "phi residue 155" 118 1 118 21 parsed_2kae 1
34 "psi residue 155" 121 1 121 21 parsed_2kae 1
35 "phi residue 156" 125 1 125 21 parsed_2kae 1
36 "psi residue 156" 128 1 128 21 parsed_2kae 1
37 "phi residue 157" 132 1 132 21 parsed_2kae 1
38 "psi residue 157" 135 1 135 21 parsed_2kae 1
39 "phi residue 158" 139 1 139 21 parsed_2kae 1
40 "psi residue 158" 142 1 142 21 parsed_2kae 1
41 "phi residue 159" 146 1 146 21 parsed_2kae 1
42 "psi residue 159" 149 1 149 21 parsed_2kae 1
43 "phi residue 160" 153 1 153 21 parsed_2kae 1
44 "psi residue 160" 156 1 156 21 parsed_2kae 1
45 "phi residue 161" 160 1 160 21 parsed_2kae 1
46 "psi residue 161" 163 1 163 21 parsed_2kae 1
47 "phi residue 162" 167 1 167 21 parsed_2kae 1
48 "psi residue 162" 170 1 170 21 parsed_2kae 1
49 "phi residue 163" 174 1 174 21 parsed_2kae 1
50 "psi residue 163" 177 1 177 21 parsed_2kae 1
51 "phi residue 164" 181 1 181 21 parsed_2kae 1
52 "psi residue 164" 184 1 184 21 parsed_2kae 1
stop_
save_
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