NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
47133 |
2g9l   |
7065 | cing | 2-parsed | STAR | dihedral angle | 28 |
data_2g9l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2g9l
_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_2g9l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2g9l
_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 2g9l "Master copy" parsed_2g9l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2g9l
_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 2g9l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2g9l 1
1 2g9l.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_2g9l 1
1 2g9l.mr . . DISCOVER 3 distance "disulfide bond" simple 3 parsed_2g9l 1
1 2g9l.mr . . DISCOVER 4 distance NOE simple 394 parsed_2g9l 1
1 2g9l.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_2g9l 1
1 2g9l.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_2g9l 1
1 2g9l.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2g9l 1
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2g9l
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 1 GLYN C 1 2 ILE N 1 2 ILE CA 1 2 ILE C parsed_2g9l 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 2 ILE C 1 3 LEU N 1 3 LEU CA 1 3 LEU C parsed_2g9l 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 3 LEU C 1 4 ASP N 1 4 ASP CA 1 4 ASP C parsed_2g9l 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 4 ASP C 1 5 THR N 1 5 THR CA 1 5 THR C parsed_2g9l 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 5 THR C 1 6 LEU N 1 6 LEU CA 1 6 LEU C parsed_2g9l 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 6 LEU C 1 7 LYS N 1 7 LYS CA 1 7 LYS C parsed_2g9l 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 7 LYS C 1 8 GLN N 1 8 GLN CA 1 8 GLN C parsed_2g9l 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 8 GLN C 1 9 PHE N 1 9 PHE CA 1 9 PHE C parsed_2g9l 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 9 PHE C 1 10 ALA N 1 10 ALA CA 1 10 ALA C parsed_2g9l 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 10 ALA C 1 11 LYS N 1 11 LYS CA 1 11 LYS C parsed_2g9l 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 12 GLY C 1 13 VAL N 1 13 VAL CA 1 13 VAL C parsed_2g9l 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 14 GLY C 1 15 LYS N 1 15 LYS CA 1 15 LYS C parsed_2g9l 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 15 LYS C 1 16 ASP N 1 16 ASP CA 1 16 ASP C parsed_2g9l 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 16 ASP C 1 17 LEU N 1 17 LEU CA 1 17 LEU C parsed_2g9l 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 17 LEU C 1 18 VAL N 1 18 VAL CA 1 18 VAL C parsed_2g9l 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 18 VAL C 1 19 LYS N 1 19 LYS CA 1 19 LYS C parsed_2g9l 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 20 GLY C 1 21 ALA N 1 21 ALA CA 1 21 ALA C parsed_2g9l 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 21 ALA C 1 22 ALA N 1 22 ALA CA 1 22 ALA C parsed_2g9l 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 22 ALA C 1 23 GLN N 1 23 GLN CA 1 23 GLN C parsed_2g9l 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 24 GLY C 1 25 VAL N 1 25 VAL CA 1 25 VAL C parsed_2g9l 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 25 VAL C 1 26 LEU N 1 26 LEU CA 1 26 LEU C parsed_2g9l 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 26 LEU C 1 27 SER N 1 27 SER CA 1 27 SER C parsed_2g9l 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 28 THR C 1 29 VAL N 1 29 VAL CA 1 29 VAL C parsed_2g9l 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 29 VAL C 1 30 SER N 1 30 SER CA 1 30 SER C parsed_2g9l 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 30 SER C 1 31 CYS N 1 31 CYS CA 1 31 CYS C parsed_2g9l 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 31 CYS C 1 32 LYS N 1 32 LYS CA 1 32 LYS C parsed_2g9l 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.000 . 1 32 LYS C 1 33 LEU N 1 33 LEU CA 1 33 LEU C parsed_2g9l 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 20 GLY CA 1 20 GLY C 1 21 ALA N 1 21 ALA CA parsed_2g9l 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
;
{backbone phi angle(C-N-CA-C) - from 3JHNa(HA-CA-N-HN)}
(If 3JHNa < 6.0 Hz, -60 +-30; if 3JHNa > 8.0 Hz, -120 +-30 degree)
< 6.0Hz
;
1 1 4 9 parsed_2g9l 1
2
;
{backbone omega angle(CA-C-N-CA), default range 170 ~ -170 degree}
1:GLYN_1:CA 1:GLYN_1:C 1:ILE_2:N 1:ILE_2:CA 170.000 -170.0 100.00 100.00 100.00
1:ILE_2:CA 1:ILE_2:C 1:LEU_3:N 1:LEU_3:CA 170.0 -170.0 100.00 100.00 100.00
1:LEU_3:CA 1:LEU_3:C 1:ASP_4:N 1:ASP_4:CA 170.0 -170.0 100.00 100.00 100.00
1:ASP_4:CA 1:ASP_4:C 1:THR_5:N 1:THR_5:CA 170.0 -170.0 100.00 100.00 100.00
1:THR_5:CA 1:THR_5:C 1:LEU_6:N 1:LEU_6:CA 170.0 -170.0 100.00 100.00 100.00
1:LEU_6:CA 1:LEU_6:C 1:LYS_7:N 1:LYS_7:CA 170.0 -170.0 100.00 100.00 100.00
1:LYS_7:CA 1:LYS_7:C 1:GLN_8:N 1:GLN_8:CA 170.0 -170.0 100.00 100.00 100.00
1:GLN_8:CA 1:GLN_8:C 1:PHE_9:N 1:PHE_9:CA 170.0 -170.0 100.00 100.00 100.00
1:PHE_9:CA 1:PHE_9:C 1:ALA_10:N 1:ALA_10:CA 170.0 -170.0 100.00 100.00 100.00
1:ALA_10:CA 1:ALA_10:C 1:LYS_11:N 1:LYS_11:CA 170.0 -170.0 100.00 100.00 100.00
1:LYS_11:CA 1:LYS_11:C 1:GLY_12:N 1:GLY_12:CA 170.0 -170.0 100.00 100.00 100.00
1:GLY_12:CA 1:GLY_12:C 1:VAL_13:N 1:VAL_13:CA 170.0 -170.0 100.00 100.00 100.00
1:VAL_13:CA 1:VAL_13:C 1:GLY_14:N 1:GLY_14:CA 170.0 -170.0 100.00 100.00 100.00
1:GLY_14:CA 1:GLY_14:C 1:LYS_15:N 1:LYS_15:CA 170.0 -170.0 100.00 100.00 100.00
1:LYS_15:CA 1:LYS_15:C 1:ASP_16:N 1:ASP_16:CA 170.0 -170.0 100.00 100.00 100.00
1:ASP_16:CA 1:ASP_16:C 1:LEU_17:N 1:LEU_17:CA 170.0 -170.0 100.00 100.00 100.00
1:LEU_17:CA 1:LEU_17:C 1:VAL_18:N 1:VAL_18:CA 170.0 -170.0 100.00 100.00 100.00
1:VAL_18:CA 1:VAL_18:C 1:LYS_19:N 1:LYS_19:CA 170.0 -170.0 100.00 100.00 100.00
1:LYS_19:CA 1:LYS_19:C 1:GLY_20:N 1:GLY_20:CA 170.0 -170.0 100.00 100.00 300.00
;
32 1 52 102 parsed_2g9l 1
stop_
save_
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