Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
42857 | 1znu RC | 6627 | cing | 2-parsed | STAR | comment |
data_1znu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1znu
_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_1znu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1znu
_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 1znu "Master copy" parsed_1znu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1znu
_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 1znu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1znu 1
1 1znu.mr . . DYANA/DIANA 2 sequence "Not applicable" "Not applicable" 0 parsed_1znu 1
1 1znu.mr . . DYANA/DIANA 3 distance NOE simple 282 parsed_1znu 1
1 1znu.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1znu 1
1 1znu.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 69 parsed_1znu 1
1 1znu.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1znu 1
1 1znu.mr . . DYANA/DIANA 7 distance NOE simple 58 parsed_1znu 1
1 1znu.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1znu 1
1 1znu.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1znu 1
stop_
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1znu
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
any500.cya0100644000006400000360000000223510233652151010561 0ustar zhnmr# Simulated annealing and violation analysis
read lib kalata.lib # read standard library
read seq kalata.seq # read protein sequence
cut_cco=1.0
cut_aco=1.0
cut_upl=0.1
cut_lol=0.1
cut_vdw=0.1
hb_len=2.5
hb_ang=50
swap=1
expand=1
rmsdrange:=-
read aco kal_new.aco
read upl kalata.upl
read upl cycle.upl append # additional upper distance limits
read lol lol.lol
zh_hbond HN 123 OE2 144
zh_hbond HN 124 OE1 144
zh_hbond HN 127 O 124
zh_hbond HN 128 O 135
zh_hbond HN 130 O 133
zh_hbond HE1 131 O 147
zh_hbond HN 133 O 130
zh_hbond HN 134 O 144
zh_hbond HN 135 O 128
zh_hbond HN 136 O 139
zh_hbond HN 139 O 136
zh_hbond HN 141 O 139
zh_hbond HN 146 O 132
#ssbond 142-127 # disulfide bond
#ssbond 146-129 # disulfide bond
#ssbond 134-122
atom stereo "HA1 120 148 126 138 143"
atom stereo "HB2 140 125 132 139 146 127 129 122 134"
atom stereo "HD21 123 137"
atom stereo "HD2 140 125 132"
atom stereo "HG2 125"
atom stereo "QG1 141 147"
atom stereo "QD1 139"
atom stereo "HB2 142"
atom swap "HA1 138"
seed=5673
calc_all 1000
overview k500 structures=500 ang cor vdw
cycle.upl0100644000006400000360000000033410130017744010665 0ustar zhnmr149 PGLY C 120 GLY C 0.01
149 PGLY O 120 GLY O 0.01
149 PGLY CA 120 GLY CA 0.01
149 PGLY HA1 120 GLY HA1 0.01
149 PGLY HA2 120 GLY HA2 0.01
149 PGLY N 120 GLY N 0.01
149 PGLY HN 120 GLY HN 0.01
;
save_