NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
464502 |
2kvz   |
16801 | cing | 2-parsed | STAR | dihedral angle | 51 |
data_2kvz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kvz
_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_2kvz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kvz
_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 2kvz "Master copy" parsed_2kvz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kvz
_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 2kvz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kvz 1
1 2kvz.mr . . XPLOR/CNS 2 distance NOE simple 692 parsed_2kvz 1
1 2kvz.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 28 parsed_2kvz 1
1 2kvz.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_2kvz 1
1 2kvz.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kvz 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kvz
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.16 -81.16 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2kvz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.58 177.58 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2kvz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.84 -86.84 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2kvz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.46 173.46 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2kvz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.25 -89.25 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2kvz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.73 163.73 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2kvz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.7 -87.7 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2kvz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.91 175.91 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2kvz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.68 -89.68 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2kvz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.91 177.91 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2kvz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.56 -75.56 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2kvz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.44 169.44 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2kvz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.21 185.21 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2kvz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.33 -89.33 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2kvz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.39 186.39 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2kvz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.85 -76.85 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2kvz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.32 167.32 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2kvz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.87 -61.87 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2kvz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.98 173.98 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2kvz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.7 -94.7 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2kvz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.34 178.34 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2kvz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.06 -78.06 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2kvz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.08 163.08 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2kvz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.46 180.46 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2kvz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.79 -63.79 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2kvz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.85 171.85 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2kvz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.43 -71.43 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2kvz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.17 171.17 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2kvz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.71 -88.71 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2kvz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.65 168.65 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2kvz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.75 -84.75 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2kvz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.18 171.18 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2kvz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.89 -95.89 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2kvz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.94 193.94 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2kvz 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.02 185.02 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2kvz 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.97 -85.97 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2kvz 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.72 178.72 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2kvz 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.68 -70.68 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2kvz 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.31 166.31 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2kvz 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.01 -90.01 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2kvz 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.88 168.88 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2kvz 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.46 -73.46 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2kvz 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.74 163.74 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2kvz 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.62 -76.62 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2kvz 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.69 160.69 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2kvz 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.83 -78.83 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2kvz 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.6 169.6 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2kvz 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.68 -85.68 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2kvz 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.32 195.32 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2kvz 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.04 -91.04 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2kvz 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.88 168.88 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2kvz 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 "PHI for GLN 8" 1 1 1 16 parsed_2kvz 1
2 "PSI for GLN 8" 5 1 5 16 parsed_2kvz 1
3 "PHI for VAL 9" 9 1 9 16 parsed_2kvz 1
4 "PSI for VAL 9" 13 1 13 16 parsed_2kvz 1
5 "PHI for THR 10" 17 1 17 17 parsed_2kvz 1
6 "PSI for THR 10" 21 1 21 17 parsed_2kvz 1
7 "PHI for VAL 11" 25 1 25 17 parsed_2kvz 1
8 "PSI for VAL 11" 29 1 29 17 parsed_2kvz 1
9 "PHI for ASN 12" 33 1 33 17 parsed_2kvz 1
10 "PSI for ASN 12" 37 1 37 17 parsed_2kvz 1
11
;
PHI for ASN 17
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -98.07 30 2
PSI for ASN 17
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 -2.16 40 2
PHI for ALA 22
;
41 1 49 17 parsed_2kvz 1
12 "PSI for ALA 22" 53 1 53 17 parsed_2kvz 1
13 "PSI for PRO 23" 57 1 57 17 parsed_2kvz 1
14 "PHI for LEU 25" 61 1 61 17 parsed_2kvz 1
15 "PSI for LEU 25" 65 1 65 17 parsed_2kvz 1
16 "PHI for TYR 26" 69 1 69 17 parsed_2kvz 1
17 "PSI for TYR 26" 73 1 73 17 parsed_2kvz 1
18 "PHI for ALA 34" 77 1 77 17 parsed_2kvz 1
19 "PSI for ALA 34" 81 1 81 17 parsed_2kvz 1
20 "PHI for ASN 36" 85 1 85 17 parsed_2kvz 1
21 "PSI for ASN 36" 89 1 89 17 parsed_2kvz 1
22 "PHI for VAL 37" 93 1 93 17 parsed_2kvz 1
23 "PSI for VAL 37" 97 1 97 17 parsed_2kvz 1
24 "PSI for PRO 38" 101 1 101 17 parsed_2kvz 1
25 "PHI for LYS 41" 105 1 105 17 parsed_2kvz 1
26 "PSI for LYS 41" 109 1 109 17 parsed_2kvz 1
27 "PHI for ILE 42" 113 1 113 17 parsed_2kvz 1
28 "PSI for ILE 42" 117 1 117 17 parsed_2kvz 1
29 "PHI for THR 46" 121 1 121 17 parsed_2kvz 1
30 "PSI for THR 46" 125 1 125 17 parsed_2kvz 1
31 "PHI for TYR 50" 129 1 129 17 parsed_2kvz 1
32 "PSI for TYR 50" 133 1 133 17 parsed_2kvz 1
33 "PHI for VAL 57" 137 1 137 17 parsed_2kvz 1
34 "PSI for VAL 57" 141 1 141 17 parsed_2kvz 1
35 "PSI for PRO 62" 145 1 145 17 parsed_2kvz 1
36 "PHI for GLN 63" 149 1 149 17 parsed_2kvz 1
37 "PSI for GLN 63" 153 1 153 17 parsed_2kvz 1
38 "PHI for THR 64" 157 1 157 17 parsed_2kvz 1
39 "PSI for THR 64" 161 1 161 17 parsed_2kvz 1
40 "PHI for ILE 65" 165 1 165 17 parsed_2kvz 1
41 "PSI for ILE 65" 169 1 169 17 parsed_2kvz 1
42 "PHI for ASN 66" 173 1 173 17 parsed_2kvz 1
43 "PSI for ASN 66" 177 1 177 17 parsed_2kvz 1
44 "PHI for ILE 67" 181 1 181 17 parsed_2kvz 1
45 "PSI for ILE 67" 185 1 185 17 parsed_2kvz 1
46 "PHI for ILE 68" 189 1 189 17 parsed_2kvz 1
47 "PSI for ILE 68" 193 1 193 17 parsed_2kvz 1
48 "PHI for TYR 69" 197 1 197 17 parsed_2kvz 1
49 "PSI for TYR 69" 201 1 201 17 parsed_2kvz 1
50 "PHI for GLN 70" 205 1 205 17 parsed_2kvz 1
51 "PSI for GLN 70" 209 1 209 17 parsed_2kvz 1
stop_
save_
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