NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
35936 |
1mmc   |
6647 | cing | recoord | 2-parsed | STAR | dihedral angle | 63 |
data_1mmc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1mmc
_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_1mmc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1mmc
_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 1mmc "Master copy" parsed_1mmc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1mmc
_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 1mmc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mmc 1
1 1mmc.mr . . DISCOVER 2 distance NOE simple 198 parsed_1mmc 1
1 1mmc.mr . . DISCOVER 3 "dihedral angle" "Not applicable" "Not applicable" 63 parsed_1mmc 1
1 1mmc.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mmc 1
stop_
save_
save_Discover_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1mmc
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -320.000 -35.00 . 1 2 GLY C 1 3 GLU N 1 3 GLU CA 1 3 GLU C parsed_1mmc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 190.00 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 CYS N parsed_1mmc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -35.00 . 1 3 GLU C 1 4 CYS N 1 4 CYS CA 1 4 CYS C parsed_1mmc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.000 175.00 . 1 4 CYS N 1 4 CYS CA 1 4 CYS C 1 5 VAL N parsed_1mmc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -25.00 . 1 4 CYS N 1 4 CYS CA 1 4 CYS CB 1 4 CYS SG parsed_1mmc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 -85.00 . 1 4 CYS C 1 5 VAL N 1 5 VAL CA 1 5 VAL C parsed_1mmc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.000 100.00 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 ARG N parsed_1mmc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.000 200.00 . 1 5 VAL N 1 5 VAL CA 1 5 VAL CB 1 5 VAL CG1 parsed_1mmc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.000 95.00 . 1 5 VAL C 1 6 ARG N 1 6 ARG CA 1 6 ARG C parsed_1mmc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.00 . 1 6 ARG N 1 6 ARG CA 1 6 ARG C 1 7 GLY N parsed_1mmc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 -30.00 . 1 6 ARG N 1 6 ARG CA 1 6 ARG CB 1 6 ARG CG parsed_1mmc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.000 140.00 . 1 6 ARG C 1 7 GLY N 1 7 GLY CA 1 7 GLY C parsed_1mmc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 70.00 . 1 7 GLY N 1 7 GLY CA 1 7 GLY C 1 8 ARG N parsed_1mmc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 192.000 252.00 . 1 7 GLY C 1 8 ARG N 1 8 ARG CA 1 8 ARG C parsed_1mmc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 170.00 . 1 8 ARG N 1 8 ARG CA 1 8 ARG C 1 9 CYS N parsed_1mmc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -50.00 . 1 8 ARG N 1 8 ARG CA 1 8 ARG CB 1 8 ARG CG parsed_1mmc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.000 -105.00 . 1 8 ARG C 1 9 CYS N 1 9 CYS CA 1 9 CYS C parsed_1mmc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 190.00 . 1 9 CYS N 1 9 CYS CA 1 9 CYS C 1 10 PRO N parsed_1mmc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -55.00 . 1 9 CYS N 1 9 CYS CA 1 9 CYS CB 1 9 CYS SG parsed_1mmc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 200.00 . 1 10 PRO N 1 10 PRO CA 1 10 PRO C 1 11 SER N parsed_1mmc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.000 90.00 . 1 10 PRO C 1 11 SER N 1 11 SER CA 1 11 SER C parsed_1mmc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 225.00 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 GLY N parsed_1mmc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.000 220.00 . 1 11 SER N 1 11 SER CA 1 11 SER CB 1 11 SER OG parsed_1mmc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.000 90.00 . 1 12 GLY N 1 12 GLY CA 1 12 GLY C 1 13 MET N parsed_1mmc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 70.00 . 1 12 GLY C 1 13 MET N 1 13 MET CA 1 13 MET C parsed_1mmc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.000 210.00 . 1 13 MET N 1 13 MET CA 1 13 MET C 1 14 CYS N parsed_1mmc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 100.00 . 1 13 MET N 1 13 MET CA 1 13 MET CB 1 13 MET CG parsed_1mmc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.000 -85.00 . 1 13 MET C 1 14 CYS N 1 14 CYS CA 1 14 CYS C parsed_1mmc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.000 190.00 . 1 14 CYS N 1 14 CYS CA 1 14 CYS C 1 15 CYS N parsed_1mmc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.000 -45.00 . 1 14 CYS N 1 14 CYS CA 1 14 CYS CB 1 14 CYS SG parsed_1mmc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -50.00 . 1 14 CYS C 1 15 CYS N 1 15 CYS CA 1 15 CYS C parsed_1mmc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 225.00 . 1 15 CYS N 1 15 CYS CA 1 15 CYS C 1 16 SER N parsed_1mmc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 210.00 . 1 15 CYS N 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG parsed_1mmc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 80.00 . 1 15 CYS C 1 16 SER N 1 16 SER CA 1 16 SER C parsed_1mmc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.000 10.00 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 GLN N parsed_1mmc 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.000 65.00 . 1 16 SER C 1 17 GLN N 1 17 GLN CA 1 17 GLN C parsed_1mmc 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 115.00 . 1 17 GLN N 1 17 GLN CA 1 17 GLN C 1 18 PHE N parsed_1mmc 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -335.000 -5.00 . 1 17 GLN N 1 17 GLN CA 1 17 GLN CB 1 17 GLN CG parsed_1mmc 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.000 -95.00 . 1 17 GLN C 1 18 PHE N 1 18 PHE CA 1 18 PHE C parsed_1mmc 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.000 65.00 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 GLY N parsed_1mmc 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.000 -35.00 . 1 18 PHE N 1 18 PHE CA 1 18 PHE CB 1 18 PHE CG parsed_1mmc 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.000 -95.00 . 1 19 GLY C 1 20 TYR N 1 20 TYR CA 1 20 TYR C parsed_1mmc 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.000 -145.00 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 CYS N parsed_1mmc 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -20.00 . 1 20 TYR N 1 20 TYR CA 1 20 TYR CB 1 20 TYR CG parsed_1mmc 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.000 -80.00 . 1 20 TYR C 1 21 CYS N 1 21 CYS CA 1 21 CYS C parsed_1mmc 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.000 175.00 . 1 21 CYS N 1 21 CYS CA 1 21 CYS C 1 22 GLY N parsed_1mmc 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.000 0.00 . 1 21 CYS C 1 22 GLY N 1 22 GLY CA 1 22 GLY C parsed_1mmc 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -250.000 0.00 . 1 22 GLY N 1 22 GLY CA 1 22 GLY C 1 23 LYS N parsed_1mmc 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.000 275.00 . 1 22 GLY C 1 23 LYS N 1 23 LYS CA 1 23 LYS C parsed_1mmc 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.000 225.00 . 1 23 LYS N 1 23 LYS CA 1 23 LYS C 1 24 GLY N parsed_1mmc 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.000 -30.00 . 1 23 LYS N 1 23 LYS CA 1 23 LYS CB 1 23 LYS CG parsed_1mmc 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.000 220.00 . 1 24 GLY N 1 24 GLY CA 1 24 GLY C 1 25 PRO N parsed_1mmc 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 0.00 . 1 25 PRO N 1 25 PRO CA 1 25 PRO C 1 26 LYS N parsed_1mmc 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.000 10.00 . 1 25 PRO C 1 26 LYS N 1 26 LYS CA 1 26 LYS C parsed_1mmc 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 95.00 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 TYR N parsed_1mmc 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.000 -95.00 . 1 26 LYS C 1 27 TYR N 1 27 TYR CA 1 27 TYR C parsed_1mmc 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.000 -25.00 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 CYS N parsed_1mmc 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.000 -35.00 . 1 27 TYR N 1 27 TYR CA 1 27 TYR CB 1 27 TYR CG parsed_1mmc 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.000 295.00 . 1 27 TYR C 1 28 CYS N 1 28 CYS CA 1 28 CYS C parsed_1mmc 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 125.00 . 1 28 CYS N 1 28 CYS CA 1 28 CYS C 1 29 GLY N parsed_1mmc 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -245.000 5.00 . 1 28 CYS N 1 28 CYS CA 1 28 CYS CB 1 28 CYS SG parsed_1mmc 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.000 240.00 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 ARGC N parsed_1mmc 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 140.00 . 1 30 ARGC N 1 30 ARGC CA 1 30 ARGC CB 1 30 ARGC CG parsed_1mmc 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 NMR_dihedral 1 1 1 13 parsed_1mmc 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, June 5, 2024 12:54:42 PM GMT (wattos1)