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
	644438	6qk5	34355	cing	1-original	2	DYANA/DIANA	distance	general distance	simple

# Restraints file 2: zn_fix.upl
#######
#Zn1 of beta
100 ZNQ L4 10 CYSS SG  0.10
100 ZNQ L5 14 CYSS SG  0.10
100 ZNQ L6 27 CYSS SG  0.10
100 ZNQ L6 31 CYSS SG  0.00
100 ZNQ L7 27 CYSS SG  0.10
100 ZNQ L7 31 CYSS SG  0.00
#Zn2 of beta
200 ZNQ L4 14 CYSS SG  0.10
200 ZNQ L5 19 CYSS SG  0.10
200 ZNQ L6 33 CYSS SG  0.10
200 ZNQ L6 36 CYSS SG  0.00
200 ZNQ L7 33 CYSS SG  0.10
200 ZNQ L7 36 CYSS SG  0.00
#Zn3 of beta
300 ZNQ L4 21 CYSS SG  0.10
300 ZNQ L5 25 CYSS SG  0.10
300 ZNQ L6 27 CYSS SG  0.10
300 ZNQ L6 36 CYSS SG  0.00
300 ZNQ L7 27 CYSS SG  0.10
300 ZNQ L7 36 CYSS SG  0.00
#######
#Zn1 of alpha
400 ZNQ L4 39 CYSS SG  0.10
400 ZNQ L5 52 CYSS SG  0.10
400 ZNQ L6 58 CYSS SG  0.10
400 ZNQ L6 66 CYSS SG  0.00
400 ZNQ L7 58 CYSS SG  0.10
400 ZNQ L7 66 CYSS SG  0.00
#Zn2 of alpha
500 ZNQ L4 48 CYSS SG  0.10
500 ZNQ L5 64 CYSS SG  0.10
500 ZNQ L6 60 CYSS SG  0.10
500 ZNQ L6 66 CYSS SG  0.00
500 ZNQ L7 60 CYSS SG  0.10
500 ZNQ L7 66 CYSS SG  0.00
#Zn3 of alpha
600 ZNQ L4 46 CYSS SG  0.10
600 ZNQ L5 48 CYSS SG  0.10
600 ZNQ L6 41 CYSS SG  0.10
600 ZNQ L6 52 CYSS SG  0.00
600 ZNQ L7 41 CYSS SG  0.10
600 ZNQ L7 52 CYSS SG  0.00
###
#SG-to-Zn
#beta
10 CYSS SG 100 ZNQ L4  0.10
14 CYSS SG 100 ZNQ L5  0.10
14 CYSS SG 200 ZNQ L4  0.00
19 CYSS SG 200 ZNQ L5  0.10
21 CYSS SG 300 ZNQ L4  0.10
25 CYSS SG 300 ZNQ L5  0.10
27 CYSS SG 100 ZNQ L6  0.10
27 CYSS SG 100 ZNQ L7  0.00
27 CYSS SG 300 ZNQ L6  0.00
27 CYSS SG 300 ZNQ L7  0.00
31 CYSS SG 100 ZNQ L6  0.10
31 CYSS SG 100 ZNQ L7  0.00
33 CYSS SG 200 ZNQ L6  0.10
33 CYSS SG 200 ZNQ L7  0.00
36 CYSS SG 200 ZNQ L6  0.10
36 CYSS SG 200 ZNQ L7  0.00
36 CYSS SG 300 ZNQ L6  0.00
36 CYSS SG 300 ZNQ L7  0.00
##
#alpha
39 CYSS SG 400 ZNQ L4  0.10
41 CYSS SG 600 ZNQ L6  0.10
41 CYSS SG 600 ZNQ L7  0.00
46 CYSS SG 600 ZNQ L4  0.10
48 CYSS SG 500 ZNQ L4  0.10
48 CYSS SG 600 ZNQ L5  0.00
52 CYSS SG 400 ZNQ L5  0.10
52 CYSS SG 600 ZNQ L6  0.00
52 CYSS SG 600 ZNQ L7  0.00
58 CYSS SG 400 ZNQ L6  0.10
58 CYSS SG 400 ZNQ L7  0.00
60 CYSS SG 500 ZNQ L6  0.10
60 CYSS SG 500 ZNQ L7  0.00
64 CYSS SG 500 ZNQ L5  0.10
66 CYSS SG 400 ZNQ L6  0.10
66 CYSS SG 400 ZNQ L7  0.00
66 CYSS SG 500 ZNQ L6  0.00
66 CYSS SG 500 ZNQ L7  0.00

# Restraints file 3: zn_fix.lol
#inter-cluster ZN-ZN distances of alpha. cluster
100 ZNQ  ZQ    200 ZNQ  ZQ      3.0  10
100 ZNQ  ZQ    300 ZNQ  ZQ      3.0  10
200 ZNQ  ZQ    300 ZNQ  ZQ      3.0  10
#inter-cluster ZN-ZN distances of beta. cluster
400 ZNQ  ZQ    500 ZNQ  ZQ      3.0  10
400 ZNQ  ZQ    600 ZNQ  ZQ      3.0  10
500 ZNQ  ZQ    600 ZNQ  ZQ      3.0  10

Contact the webmaster for help, if required. Tuesday, April 30, 2024 7:59:50 AM GMT (wattos1)