NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | type |
16174 | 1znu | 6627 | cing | 1-original | 7 | 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
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