NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
33351 |
1i5h   |
4963 | cing | 2-parsed | STAR | dihedral angle | 44 |
data_1i5h_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1i5h
_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_1i5h 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1i5h
_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 1i5h "Master copy" parsed_1i5h
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1i5h
_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 1i5h.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1i5h 1
1 1i5h.mr . . XPLOR/CNS 2 distance NOE ambi 2013 parsed_1i5h 1
1 1i5h.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 14 parsed_1i5h 1
1 1i5h.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_1i5h 1
1 1i5h.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1i5h 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1i5h
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.00 -82.00 . W 464 . C W 465 . N W 465 . CA W 465 . C parsed_1i5h 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 171.00 . W 465 . N W 465 . CA W 465 . C W 466 . N parsed_1i5h 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.00 -80.00 . W 466 . C W 467 . N W 467 . CA W 467 . C parsed_1i5h 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 155.00 . W 467 . N W 467 . CA W 467 . C W 468 . N parsed_1i5h 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -80.00 . W 467 . C W 468 . N W 468 . CA W 468 . C parsed_1i5h 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 171.00 . W 468 . N W 468 . CA W 468 . C W 469 . N parsed_1i5h 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.00 -69.00 . W 468 . C W 469 . N W 469 . CA W 469 . C parsed_1i5h 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 151.00 . W 469 . N W 469 . CA W 469 . C W 470 . N parsed_1i5h 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -64.00 . W 469 . C W 470 . N W 470 . CA W 470 . C parsed_1i5h 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.00 173.00 . W 470 . N W 470 . CA W 470 . C W 471 . N parsed_1i5h 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -62.00 . W 471 . C W 472 . N W 472 . CA W 472 . C parsed_1i5h 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.00 23.00 . W 472 . N W 472 . CA W 472 . C W 473 . N parsed_1i5h 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.00 109.00 . W 472 . C W 473 . N W 473 . CA W 473 . C parsed_1i5h 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.00 30.00 . W 473 . N W 473 . CA W 473 . C W 474 . N parsed_1i5h 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.00 -66.00 . W 474 . C W 475 . N W 475 . CA W 475 . C parsed_1i5h 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.00 157.00 . W 475 . N W 475 . CA W 475 . C W 476 . N parsed_1i5h 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.00 -107.00 . W 476 . C W 477 . N W 477 . CA W 477 . C parsed_1i5h 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.00 161.00 . W 477 . N W 477 . CA W 477 . C W 478 . N parsed_1i5h 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -89.00 . W 477 . C W 478 . N W 478 . CA W 478 . C parsed_1i5h 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.00 155.00 . W 478 . N W 478 . CA W 478 . C W 479 . N parsed_1i5h 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.00 -58.00 . W 478 . C W 479 . N W 479 . CA W 479 . C parsed_1i5h 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.00 186.00 . W 479 . N W 479 . CA W 479 . C W 480 . N parsed_1i5h 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -42.00 . W 480 . C W 481 . N W 481 . CA W 481 . C parsed_1i5h 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -4.00 . W 481 . N W 481 . CA W 481 . C W 482 . N parsed_1i5h 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -106.00 . W 485 . C W 486 . N W 486 . CA W 486 . C parsed_1i5h 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 170.00 . W 486 . N W 486 . CA W 486 . C W 487 . N parsed_1i5h 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.00 -60.00 . W 497 . C W 498 . N W 498 . CA W 498 . C parsed_1i5h 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.00 146.00 . W 498 . N W 498 . CA W 498 . C W 499 . N parsed_1i5h 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -68.00 . B 609 . C B 610 . N B 610 . CA B 610 . C parsed_1i5h 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.00 180.00 . B 610 . N B 610 . CA B 610 . C B 611 . N parsed_1i5h 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -57.00 . B 612 . C B 613 . N B 613 . CA B 613 . C parsed_1i5h 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.00 184.00 . B 613 . N B 613 . CA B 613 . C B 614 . N parsed_1i5h 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -44.00 . B 617 . C B 618 . N B 618 . CA B 618 . C parsed_1i5h 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.00 -51.00 . B 618 . C B 619 . N B 619 . CA B 619 . C parsed_1i5h 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.7 -5.1 . BP2 606 . N BP2 606 . CA BP2 606 . C BP2 607 . N parsed_1i5h 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -32.3 . BP2 607 . N BP2 607 . CA BP2 607 . C BP2 608 . N parsed_1i5h 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -31.1 . BP2 609 . N BP2 609 . CA BP2 609 . C BP2 610 . N parsed_1i5h 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -33.3 . BP2 611 . N BP2 611 . CA BP2 611 . C BP2 612 . N parsed_1i5h 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.3 -16.7 . BP2 612 . N BP2 612 . CA BP2 612 . C BP2 613 . N parsed_1i5h 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.4 146.6 . BP2 616 . N BP2 616 . CA BP2 616 . C BP2 617 . N parsed_1i5h 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.4 151.6 . BP2 617 . N BP2 617 . CA BP2 617 . C BP2 618 . N parsed_1i5h 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -34.5 . BP2 618 . N BP2 618 . CA BP2 618 . C BP2 619 . N parsed_1i5h 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.8 -18.2 . BP2 619 . N BP2 619 . CA BP2 619 . C BP2 620 . N parsed_1i5h 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.7 -15.3 . BP2 620 . N BP2 620 . CA BP2 620 . C BP2 621 . N parsed_1i5h 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 dihedral restraints from TALOS database
Residue W 465 DATABASE
;
1 1 2 25 parsed_1i5h 1
2 "Residue E 467 DATABASE" 8 1 8 25 parsed_1i5h 1
3 "Residue R 468 DATABASE" 14 1 14 25 parsed_1i5h 1
4 "Residue T 469 DATABASE" 20 1 20 25 parsed_1i5h 1
5 "Residue H 470 DATABASE" 26 1 26 25 parsed_1i5h 1
6 "Residue D 472 DATABASE" 32 1 32 25 parsed_1i5h 1
7 "Residue G 473 DATABASE" 38 1 38 25 parsed_1i5h 1
8 "Residue V 475 DATABASE" 44 1 44 25 parsed_1i5h 1
9 "Residue F 477 DATABASE" 50 1 50 25 parsed_1i5h 1
10 "Residue I 478 DATABASE" 56 1 56 25 parsed_1i5h 1
11 "Residue N 479 DATABASE" 62 1 62 25 parsed_1i5h 1
12 "Residue N 481 DATABASE" 68 1 68 25 parsed_1i5h 1
13 "Residue Q 486 DATABASE" 74 1 74 25 parsed_1i5h 1
14 "Residue T 498 DATABASE" 80 1 80 25 parsed_1i5h 1
15 "Residue I 610 DATABASE" 86 1 86 25 parsed_1i5h 1
16 "Residue T 613 DATABASE" 92 1 92 25 parsed_1i5h 1
17 "Residue Y 618 DATABASE" 98 1 98 25 parsed_1i5h 1
18 "Residue D 619 DATABASE" 102 1 102 25 parsed_1i5h 1
19 "psi restraints dervbied from cross-correlation experiments" 106 1 106 60 parsed_1i5h 1
stop_
save_
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