{* FRET distance information *}

noe
   nres=5000
   class inter
   ceiling=1000
   averaging inter cent
   potential inter square
   sqconstant inter 1.
   sqexponent inter 2
   scale inter 50.

 { remarks: segid A is synaptobrevin, segid B is syntaxin, segid C,D is SNAP-25 , segid S is synaptotagmin }
 
 { assign <selection> <selection> distance dminus dplus }
       
  { FRET pairs near Ro}
          assign ( resid 140 and segid S and name PSDO )
                 ( resid 20 and ( segid C or segid D ) and name PSDO ) 63.7 2.5 2.5
          assign ( resid 140 and segid S and name PSDO )
                 ( resid 139 and ( segid C or segid D ) and name PSDO ) 65.1 2.5 2.5
          assign ( resid 154 and segid S and name PSDO )
                 ( resid 20 and ( segid C or segid D ) and name PSDO ) 59.1 2.5 2.5
          assign ( resid 269 and segid S and name PSDO )
                 ( resid 20 and ( segid C or segid D ) and name PSDO ) 55.4 2.5 2.5
          assign ( resid 350 and segid S and name PSDO )
                 ( resid 139 and ( segid C or segid D ) and name PSDO ) 64.0 2.5 2.5          
          assign ( resid 383 and segid S and name PSDO )
                 ( resid 20 and ( segid C or segid D ) and name PSDO ) 62.1 2.5 2.5         
          assign ( resid 154 and segid S and name PSDO )
                 ( resid 197 and ( segid C or segid D ) and name PSDO ) 65.4 2.5 2.5
          assign ( resid 269 and segid S and name PSDO )
                 ( resid 197 and ( segid C or segid D ) and name PSDO ) 49.5 2.5 2.5 ! keith change 042309       
          assign ( resid 350 and segid S and name PSDO )
                 ( resid 197 and ( segid C or segid D ) and name PSDO ) 61.4 2.5 2.5
          assign ( resid 154 and segid S and name PSDO )
                 ( resid 139 and ( segid C or segid D ) and name PSDO ) 65.2 2.5 2.5 !keith change 042309 
          assign ( resid 269 and segid S and name PSDO )
                 ( resid 139 and ( segid C or segid D ) and name PSDO ) 55.95 2.5 2.5  
          assign ( resid 350 and segid S and name PSDO )
                 ( resid 20 and ( segid C or segid D ) and name PSDO ) 57.4 2.5 2.5  !keith change 042309
          assign ( resid 383 and segid S and name PSDO )
                 ( resid 139 and ( segid C or segid D ) and name PSDO ) 57.0 2.5 2.5   
          assign ( resid 269 and segid S and name PSDO )
                 ( resid 76 and ( segid C or segid D ) and name PSDO ) 60.81 2.5 2.5   
          assign ( resid 383 and segid S and name PSDO )
                 ( resid 197 and ( segid C or segid D ) and name PSDO ) 58.4 2.5 2.5            
          assign ( resid 154 and segid S and name PSDO )
                 ( resid 61 and ( segid A ) and name PSDO ) 54.25 2.5 2.5 !keith update for 2nd run 042709          
          assign ( resid 154 and segid S and name PSDO )
                 ( resid 76 and ( segid C or segid D ) and name PSDO )  64.83 2.5 2.5 !keith update for 2nd run 042709               
          assign ( resid 154 and segid S and name PSDO )
                 ( resid 396 and segid S and name PSDO ) 66.47 2.5 2.5   ! keith change 042309
          assign ( resid 154 and segid S and name PSDO )
                 ( resid 383 and segid S and name PSDO ) 56.04 2.5 2.5   ! 
          assign ( resid 189 and segid S and name PSDO )
                 ( resid 396 and segid S and name PSDO ) 48.19 2.5 2.5   ! keith change 042309

 { LongShort FRET pairs }
   class ambi
   ceiling=1000
   averaging ambi cent
   potential ambi square
   sqconstant ambi 1.
   sqexponent ambi 2
   scale ambi 50.   

	  assign ( resid 368 and segid S and name PSDO )
                 ( resid 20 and ( segid C or segid D ) and name PSDO ) 67.3 5.0 5.0
	  assign ( resid 368 and segid S and name PSDO )
                 ( resid 139 and ( segid C or segid D ) and name PSDO ) 70.40 5.0 5.0   ! keith change 042309     
  	  assign ( resid 383 and segid S and name PSDO )
                 ( resid 76 and ( segid C or segid D ) and name PSDO )  41.89 5.0 5.0  !keith update for 2nd run 042709	
	  assign ( resid 140 and segid S and name PSDO )
                 ( resid 76 and ( segid C or segid D ) and name PSDO ) 70.5 5.0 5.0  
	  assign ( resid 140 and segid S and name PSDO )
                 ( resid 197 and ( segid C or segid D ) and name PSDO ) 71.1 5.0 5.0   
	  assign ( resid 350 and segid S and name PSDO )
                 ( resid 76 and ( segid C or segid D ) and name PSDO )  43.54 5.0 5.0 !keith update for 2nd run 042709
	  assign ( resid 368 and segid S and name PSDO )
                 ( resid 76 and ( segid C or segid D ) and name PSDO )  66.94 5.0 5.0 !keith change 042309  
	  assign ( resid 368 and segid S and name PSDO )
                 ( resid 197 and ( segid C or segid D ) and name PSDO ) 73.05 5.0 5.0 ! keith change 042309
	  assign ( resid 269 and segid S and name PSDO )
                 ( resid 61 and ( segid A ) and name PSDO ) 40.87 5.0 5.0 !keith update for 2nd run 042709         
	  assign ( resid 383 and segid S and name PSDO )
                 ( resid 61 and ( segid A ) and name PSDO ) 42.93 5.0 5.0 !keith update for 2nd run 042709  
	  assign ( resid 140 and segid S and name PSDO )
                 ( resid 61 and ( segid A ) and name PSDO ) 69.4 5.0 5.0   !keith update for 2nd run 042709
	  assign ( resid 368 and segid S and name PSDO )
                 ( resid 61 and ( segid A ) and name PSDO ) 75.86 5.0 5.0 !keith update for 2nd run 042709
	  assign ( resid 350 and segid S and name PSDO )
                 ( resid 61 and ( segid A ) and name PSDO ) 67.64 5.0 5.0    !keith change 042309
	  assign ( resid 254 and segid S and name PSDO )
                 ( resid 396 and segid S and name PSDO ) 68.8 5.0 5.0 
 end           
 
 flags include NOE end 
 
