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

648755 6yfy 50202 cing 1-original 2 XPLOR/CNS distance NOE ambi

!>>>>>>>>>>>>>>>>>>>>>>
!<<<<<<<<<<<<<<<<<<<<<<

! DISTANCE restraints

! 1. Intramolecular teixobactin and intermolecular teixobactin - teixobactin Distance restraints 

!<<<<<<<<<<<<<<<<<<<<<<



!Teixo A / TeixoB
!unambig inter
assign (resid 2 and name CA and segid A) (resid 6 and name CB and segid B) 5.0 3.0 2.0
assign (resid 2 and name CA and segid A) (resid 7 and name CB and segid B) 5.0 3.0 2.0
assign (resid 2 and name CA and segid A) (resid 7 and name CA and segid B) 5.0 3.0 2.0
assign (resid 2 and name CB and segid A) (resid 7 and name CA and segid B) 5.0 3.0 2.0
assign (resid 3 and name CB and segid A) (resid 6 and name CB and segid B) 6.0 3.0 2.0
assign (resid 3 and name CB and segid A) (resid 7 and name CB and segid B) 5.0 3.0 2.0
assign (resid 3 and name CB and segid A) (resid 7 and name CA and segid B) 6.0 3.0 2.0
assign (resid 2 and name CG2 and segid A) (resid 7 and name CB and segid B) 6.0 3.0 2.5
assign (resid 2 and name CG2 and segid A) (resid 6 and name CA and segid B) 5.0 3.0 2.0

assign (resid 2 and name CA and segid B) (resid 6 and name CB and segid A) 5.0 3.0 2.0
assign (resid 2 and name CA and segid B) (resid 7 and name CB and segid A) 5.0 3.0 2.0
assign (resid 2 and name CA and segid B) (resid 7 and name CA and segid A) 5.0 3.0 2.0
assign (resid 2 and name CB and segid B) (resid 7 and name CA and segid A) 5.0 3.0 2.0
assign (resid 3 and name CB and segid B) (resid 6 and name CB and segid A) 6.0 3.0 2.0
assign (resid 3 and name CB and segid B) (resid 7 and name CB and segid A) 5.0 3.0 2.0
assign (resid 3 and name CB and segid B) (resid 7 and name CA and segid A) 6.0 3.0 2.0
assign (resid 2 and name CG2 and segid B) (resid 7 and name CB and segid A) 6.0 3.0 2.5
assign (resid 2 and name CG2 and segid B) (resid 6 and name CA and segid A) 5.0 3.0 2.0

!assign (resid 2 and name CG2 and segid A) (resid 6 and name C and segid B) 5.0 3.0 2.0 ! 
!assign (resid 3 and name CB and segid A) (resid 6 and name C and segid B) 6.0 3.0 1.5 ! 
!assign (resid 3 and name CA and segid A) (resid 10 and name CD and segid B) 5.0 3.0 2.0 ! 

! Teixo A
!unambig intra 
assign (resid 7 and name CB and segid A) (resid 9 and name CA and segid A) 6.0 3.0 2.0
or (resid 7 and name CB and segid A) (resid 10 and name CA and segid A)
assign (resid 7 and name CA and segid A) (resid 9 and name CA and segid A) 6.0 3.0 2.0
or (resid 7 and name CA and segid A) (resid 10 and name CA and segid A)
assign (resid 7 and name CA and segid A) (resid 9 and name CA and segid A) 6.0 3.0 2.0
assign (resid 7 and name CA and segid A) (resid 10 and name CD1 and segid A) 6.0 3.0 2.0
assign (resid 7 and name CB and segid A) (resid 10 and name CD1 and segid A) 6.0 3.0 2.0
assign (resid 7 and name CA and segid A) (resid 10 and name CD2 and segid A) 6.0 3.0 2.0 ! weak
assign (resid 7 and name CB and segid A) (resid 10 and name CD2 and segid A) 6.0 3.0 2.0 ! weak

! Teixo B
!unambig intra 
assign (resid 7 and name CB and segid B) (resid 9 and name CA and segid B) 6.0 3.0 2.0
or (resid 7 and name CB and segid B) (resid 10 and name CA and segid B)
assign (resid 7 and name CA and segid B) (resid 9 and name CA and segid B) 6.0 3.0 2.0
or (resid 7 and name CA and segid A) (resid 10 and name CA and segid B)
assign (resid 7 and name CA and segid B) (resid 9 and name CA and segid B) 6.0 3.0 2.0
assign (resid 7 and name CA and segid B) (resid 10 and name CD1 and segid B) 6.0 3.0 2.0
assign (resid 7 and name CB and segid B) (resid 10 and name CD1 and segid B) 6.0 3.0 2.0
assign (resid 7 and name CA and segid B) (resid 10 and name CD2 and segid B) 6.0 3.0 2.0 ! weak
assign (resid 7 and name CB and segid B) (resid 10 and name CD2 and segid B) 6.0 3.0 2.0 ! weak

! ambig Teixo A / TeixoB
assign (resid 2 and name C and segid A) (resid 7 and name CB and segid B) 5.0 3.0 2.0
or (resid 3 and name C and segid A) (resid 7 and name CB and segid B)
assign (resid 2 and name C and segid B) (resid 7 and name CB and segid A) 5.0 3.0 2.0
or (resid 3 and name C and segid B) (resid 7 and name CB and segid A)

assign (resid 2 and name CA and segid A) (resid 6 and name C and segid B) 6.0 3.0 2.0
or (resid 2 and name CA and segid A) (resid 10 and name C and segid B) ! weak
assign (resid 2 and name CA and segid B) (resid 6 and name C and segid A) 6.0 3.0 2.0
or (resid 2 and name CA and segid B) (resid 10 and name C and segid A) ! weak

assign (resid 2 and name C and segid A) (resid 6 and name CD1 and segid B) 6.0 3.0 2.0
or (resid 3 and name C and segid A) (resid 6 and name CD1 and segid B) ! weak
assign (resid 2 and name C and segid B) (resid 6 and name CD1 and segid A) 6.0 3.0 2.0 
or (resid 3 and name C and segid B) (resid 6 and name CD1 and segid A) !

assign (resid 2 and name C and segid A) (resid 6 and name CB and segid B) 6.0 3.0 2.0
or (resid 3 and name C and segid A) (resid 6 and name CB and segid B) ! weak
assign (resid 2 and name C and segid B) (resid 6 and name CB and segid A) 6.0 3.0 2.0
or (resid 3 and name C and segid B) (resid 6 and name CB and segid A) ! weak

Please acknowledge these references in publications where the data from this site have been utilized.

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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	648755	6yfy	50202	cing	1-original	2	XPLOR/CNS	distance	NOE	ambi