NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
479657 |
2rr4   |
11115 | cing | 2-parsed | STAR | dihedral angle | 26 |
data_2rr4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rr4
_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_2rr4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rr4
_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 2rr4 "Master copy" parsed_2rr4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rr4
_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 2rr4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rr4 1
1 2rr4.mr . . AMBER 2 stereochemistry chirality "Not applicable" 0 parsed_2rr4 1
1 2rr4.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 76 parsed_2rr4 1
1 2rr4.mr . . AMBER 4 distance NOE simple 1506 parsed_2rr4 1
1 2rr4.mr . . AMBER 5 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_2rr4 1
1 2rr4.mr . . AMBER 6 distance "general distance" simple 0 parsed_2rr4 1
1 2rr4.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rr4 1
stop_
save_
save_AMBER_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rr4
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -77.0 . 2rr4_ambr001 16 LEU C 2rr4_ambr001 17 VAL N 2rr4_ambr001 17 VAL CA 2rr4_ambr001 17 VAL C parsed_2rr4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . 2rr4_ambr001 17 VAL N 2rr4_ambr001 17 VAL CA 2rr4_ambr001 17 VAL C 2rr4_ambr001 18 TRP N parsed_2rr4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -75.0 . 2rr4_ambr001 17 VAL C 2rr4_ambr001 18 TRP N 2rr4_ambr001 18 TRP CA 2rr4_ambr001 18 TRP C parsed_2rr4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 167.0 . 2rr4_ambr001 18 TRP N 2rr4_ambr001 18 TRP CA 2rr4_ambr001 18 TRP C 2rr4_ambr001 19 VAL N parsed_2rr4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -96.0 . 2rr4_ambr001 18 TRP C 2rr4_ambr001 19 VAL N 2rr4_ambr001 19 VAL CA 2rr4_ambr001 19 VAL C parsed_2rr4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . 2rr4_ambr001 19 VAL N 2rr4_ambr001 19 VAL CA 2rr4_ambr001 19 VAL C 2rr4_ambr001 20 GLN N parsed_2rr4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.0 -72.0 . 2rr4_ambr001 19 VAL C 2rr4_ambr001 20 GLN N 2rr4_ambr001 20 GLN CA 2rr4_ambr001 20 GLN C parsed_2rr4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 183.0 . 2rr4_ambr001 20 GLN N 2rr4_ambr001 20 GLN CA 2rr4_ambr001 20 GLN C 2rr4_ambr001 21 CYM N parsed_2rr4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . 2rr4_ambr001 21 CYM C 2rr4_ambr001 22 SER N 2rr4_ambr001 22 SER CA 2rr4_ambr001 22 SER C parsed_2rr4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -9.0 . 2rr4_ambr001 22 SER N 2rr4_ambr001 22 SER CA 2rr4_ambr001 22 SER C 2rr4_ambr001 23 PHE N parsed_2rr4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . 2rr4_ambr001 35 ASN C 2rr4_ambr001 36 ILE N 2rr4_ambr001 36 ILE CA 2rr4_ambr001 36 ILE C parsed_2rr4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 169.0 . 2rr4_ambr001 36 ILE N 2rr4_ambr001 36 ILE CA 2rr4_ambr001 36 ILE C 2rr4_ambr001 37 ASP N parsed_2rr4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -81.0 . 2rr4_ambr001 36 ILE C 2rr4_ambr001 37 ASP N 2rr4_ambr001 37 ASP CA 2rr4_ambr001 37 ASP C parsed_2rr4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . 2rr4_ambr001 37 ASP N 2rr4_ambr001 37 ASP CA 2rr4_ambr001 37 ASP C 2rr4_ambr001 38 PRO N parsed_2rr4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . 2rr4_ambr001 38 PRO C 2rr4_ambr001 39 SER N 2rr4_ambr001 39 SER CA 2rr4_ambr001 39 SER C parsed_2rr4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 6.0 . 2rr4_ambr001 39 SER N 2rr4_ambr001 39 SER CA 2rr4_ambr001 39 SER C 2rr4_ambr001 40 VAL N parsed_2rr4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -62.0 . 2rr4_ambr001 40 VAL C 2rr4_ambr001 41 LEU N 2rr4_ambr001 41 LEU CA 2rr4_ambr001 41 LEU C parsed_2rr4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.0 154.0 . 2rr4_ambr001 41 LEU N 2rr4_ambr001 41 LEU CA 2rr4_ambr001 41 LEU C 2rr4_ambr001 42 PRO N parsed_2rr4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.9 -83.9 . 2rr4_ambr001 45 TRP C 2rr4_ambr001 46 SER N 2rr4_ambr001 46 SER CA 2rr4_ambr001 46 SER C parsed_2rr4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.6 180.6 . 2rr4_ambr001 46 SER N 2rr4_ambr001 46 SER CA 2rr4_ambr001 46 SER C 2rr4_ambr001 47 CYM N parsed_2rr4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -39.0 . 2rr4_ambr001 47 CYM C 2rr4_ambr001 48 ASP N 2rr4_ambr001 48 ASP CA 2rr4_ambr001 48 ASP C parsed_2rr4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . 2rr4_ambr001 48 ASP N 2rr4_ambr001 48 ASP CA 2rr4_ambr001 48 ASP C 2rr4_ambr001 49 GLN N parsed_2rr4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -52.0 . 2rr4_ambr001 53 VAL C 2rr4_ambr001 54 GLN N 2rr4_ambr001 54 GLN CA 2rr4_ambr001 54 GLN C parsed_2rr4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -1.4 . 2rr4_ambr001 54 GLN N 2rr4_ambr001 54 GLN CA 2rr4_ambr001 54 GLN C 2rr4_ambr001 55 TYR N parsed_2rr4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.4 -102.4 . 2rr4_ambr001 56 ASN C 2rr4_ambr001 57 ARG N 2rr4_ambr001 57 ARG CA 2rr4_ambr001 57 ARG C parsed_2rr4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.4 188.4 . 2rr4_ambr001 57 ARG N 2rr4_ambr001 57 ARG CA 2rr4_ambr001 57 ARG C 2rr4_ambr001 58 CYM N parsed_2rr4 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
;
1194 atoms read from pdb file leap.pdb.
17 VAL PHI: (16 LEU C)-(17 VAL N)-(17 VAL CA)-(17 VAL C) -137.0 -77.0
;
1 1 2 73 parsed_2rr4 1
2 "17 VAL PSI: (17 VAL N)-(17 VAL CA)-(17 VAL C)-(18 TRP N) 100.0 160.0" 6 1 6 72 parsed_2rr4 1
3 "18 TRP PHI: (17 VAL C)-(18 TRP N)-(18 TRP CA)-(18 TRP C) -135.0 -75.0" 10 1 10 73 parsed_2rr4 1
4 "18 TRP PSI: (18 TRP N)-(18 TRP CA)-(18 TRP C)-(19 VAL N) 107.0 167.0" 14 1 14 72 parsed_2rr4 1
5 "19 VAL PHI: (18 TRP C)-(19 VAL N)-(19 VAL CA)-(19 VAL C) -156.0 -96.0" 18 1 18 73 parsed_2rr4 1
6 "19 VAL PSI: (19 VAL N)-(19 VAL CA)-(19 VAL C)-(20 GLN N) 110.0 170.0" 22 1 22 72 parsed_2rr4 1
7 "20 GLN PHI: (19 VAL C)-(20 GLN N)-(20 GLN CA)-(20 GLN C) -132.0 -72.0" 26 1 26 73 parsed_2rr4 1
8 "20 GLN PSI: (20 GLN N)-(20 GLN CA)-(20 GLN C)-(21 CYM N) 123.0 183.0" 30 1 30 72 parsed_2rr4 1
9 "22 SER PHI: (21 CYM C)-(22 SER N)-(22 SER CA)-(22 SER C) -93.0 -33.0" 34 1 34 72 parsed_2rr4 1
10 "22 SER PSI: (22 SER N)-(22 SER CA)-(22 SER C)-(23 PHE N) -69.0 -9.0" 38 1 38 72 parsed_2rr4 1
11 "36 ILE PHI: (35 ASN C)-(36 ILE N)-(36 ILE CA)-(36 ILE C) -140.0 -80.0" 42 1 42 73 parsed_2rr4 1
12 "36 ILE PSI: (36 ILE N)-(36 ILE CA)-(36 ILE C)-(37 ASP N) 109.0 169.0" 46 1 46 72 parsed_2rr4 1
13 "37 ASP PHI: (36 ILE C)-(37 ASP N)-(37 ASP CA)-(37 ASP C) -141.0 -81.0" 50 1 50 73 parsed_2rr4 1
14 "37 ASP PSI: (37 ASP N)-(37 ASP CA)-(37 ASP C)-(38 PRO N) 90.0 150.0" 54 1 54 72 parsed_2rr4 1
15 "39 SER PHI: (38 PRO C)-(39 SER N)-(39 SER CA)-(39 SER C) -96.0 -36.0" 58 1 58 72 parsed_2rr4 1
16 "39 SER PSI: (39 SER N)-(39 SER CA)-(39 SER C)-(40 VAL N) -54.0 6.0" 62 1 62 72 parsed_2rr4 1
17 "41 LEU PHI: (40 VAL C)-(41 LEU N)-(41 LEU CA)-(41 LEU C) -122.0 -62.0" 66 1 66 73 parsed_2rr4 1
18 "41 LEU PSI: (41 LEU N)-(41 LEU CA)-(41 LEU C)-(42 PRO N) 94.0 154.0" 70 1 70 72 parsed_2rr4 1
19 "46 SER PHI: (45 TRP C)-(46 SER N)-(46 SER CA)-(46 SER C) -143.9 -83.9" 74 1 74 73 parsed_2rr4 1
20 "46 SER PSI: (46 SER N)-(46 SER CA)-(46 SER C)-(47 CYM N) 120.6 180.6" 78 1 78 72 parsed_2rr4 1
21 "48 ASP PHI: (47 CYM C)-(48 ASP N)-(48 ASP CA)-(48 ASP C) -99.0 -39.0" 82 1 82 72 parsed_2rr4 1
22 "48 ASP PSI: (48 ASP N)-(48 ASP CA)-(48 ASP C)-(49 GLN N) -50.0 10.0" 86 1 86 72 parsed_2rr4 1
23 "54 GLN PHI: (53 VAL C)-(54 GLN N)-(54 GLN CA)-(54 GLN C) -112.0 -52.0" 90 1 90 73 parsed_2rr4 1
24 "54 GLN PSI: (54 GLN N)-(54 GLN CA)-(54 GLN C)-(55 TYR N) -61.4 -1.4" 94 1 94 72 parsed_2rr4 1
25 "57 ARG PHI: (56 ASN C)-(57 ARG N)-(57 ARG CA)-(57 ARG C) -162.4 -102.4" 98 1 98 74 parsed_2rr4 1
26 "57 ARG PSI: (57 ARG N)-(57 ARG CA)-(57 ARG C)-(58 CYM N) 128.4 188.4" 102 1 102 72 parsed_2rr4 1
stop_
save_
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