NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
20341 2fk4 6407 cing 1-original 3 XPLOR/CNS distance general distance simple 


! HBonds and topology of the beta sheets

assign (resid  48 and name    O ) ( resid   6 and name   HN )  2.0  0.6  0.3 !
assign (resid  48 and name    O ) ( resid   6 and name    N )  3.0  0.6  0.4 !
assign (resid  50 and name   HN ) ( resid   4 and name    O )  2.0  0.6  0.3 !
assign (resid  50 and name    N ) ( resid   4 and name    O )  3.0  0.6  0.4 !
assign (resid  50 and name    O ) ( resid   4 and name   HN )  2.0  0.6  0.3 !
assign (resid  50 and name    O ) ( resid   4 and name    N )  3.0  0.6  0.4 !
assign (resid  56 and name    O ) ( resid  49 and name   HN )  2.0  0.6  0.3 !
assign (resid  56 and name    O ) ( resid  49 and name    N )  3.0  0.6  0.4 !
assign (resid  56 and name   HN ) ( resid  49 and name    O )  2.0  0.6  0.3 !
assign (resid  56 and name    N ) ( resid  49 and name    O )  3.0  0.6  0.4 !
assign (resid  54 and name    O ) ( resid  51 and name   HN )  2.0  0.6  0.3 !
assign (resid  54 and name    O ) ( resid  51 and name    N )  3.0  0.6  0.4 !
assign (resid  54 and name   HN ) ( resid  51 and name    O )  2.0  0.6  0.3 !
assign (resid  54 and name    N ) ( resid  51 and name    O )  3.0  0.6  0.4 !  

assign (resid  55 and name   HA ) ( resid  50 and name   HA )  2.3  0.5  0.30 ! 3924_2D
assign (resid  49 and name   HA ) ( resid   5 and name   HA )  2.3  0.5  0.30 ! 3851_2D
assign (resid   5 and name   HA ) ( resid  50 and name   HN )  3.2  1.4  0.75 ! 4054_2D          
assign (resid  49 and name   HA ) ( resid   6 and name   HN )  3.2  1.4  0.75 ! 3775_2D          
assign (resid  50 and name   HA ) ( resid  56 and name   HN )  3.2  1.4  0.75 ! 3931_2D          
assign (resid  55 and name   HA ) ( resid  51 and name   HN )  3.2  1.4  0.75 ! 3799_3D          
assign (resid  57 and name  HA# ) ( resid  49 and name   HN )  3.2  1.4  0.75 ! 3868_3D          
assign (resid   6 and name   HN ) ( resid  48 and name   HN )  3.3  1.5  0.75 ! 3854_2D          
assign (resid  56 and name   HN ) ( resid  49 and name   HN )  3.3  1.5  0.75 ! 3870_3D          
assign (resid  51 and name   HN ) ( resid  54 and name   HN )  3.3  1.5  0.75 ! 3520_3D          

! Geometry of the zinc coordination

assign (resid  26 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  29 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  59 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  62 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  26 and name SG ) ( resid 29 and name SG )  4.1  0.5  0.5
assign (resid  26 and name SG ) ( resid 59 and name SG )  4.1  0.5  0.5
assign (resid  26 and name SG ) ( resid 62 and name SG )  4.1  0.5  0.5
assign (resid  29 and name SG ) ( resid 59 and name SG )  4.1  0.5  0.5
assign (resid  29 and name SG ) ( resid 62 and name SG )  4.1  0.5  0.5
assign (resid  59 and name SG ) ( resid 62 and name SG )  4.1  0.5  0.5

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