NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype

10269 1pft cing 1-original 4 DSPACE distance NOE simple
;........NOE Restraints..........
;				.	
;	Strong 1.8 - 2.7	.
;	Medium 1.8 - 3.3	.
; 	Weak   1.8 - 5.0	.
;	+0.5 for methlys	.
;................................
;
;
;...AMIDE TO ALPHA (n-ha)...
;
;...Seqential hn-ha....
def/bou hn[7] ha[6] 1.8 2.7
def/bou hn[8] ha[7] 1.8 2.7
def/bou hdr[9] ha[8] 1.8 2.7  
def/bou hds[9] ha[8] 1.8 2.7
def/bou hn[10] ha[9] 1.8 3.3
def/bou hn[11] ha[10] 1.8 5.0
def/bou hn[12] ha[11] 1.8 3.3
def/bou hn[13] ha[12] 1.8 3.3
def/bou hn[14] ha[13] 1.8 2.7
def/bou hn[15] ha[14] 1.8 3.3
def/bou hn[16] ha[15] 1.8 2.7
def/bou hn[17] ha[16] 1.8 2.7
def/bou hn[18] ha[17] 1.8 2.7
def/bou hn[19] ha[18] 1.8 2.7 
def/bou hdr[20] ha[19] 1.8 2.7  
def/bou hds[20] ha[19] 1.8 2.7
def/bou hn[21] ha[20] 1.8 3.3
def/bou hn[22] ha[21] 1.8 5.0
def/bou hn[23] ha[22] 1.8 5.0
def/bou hn[24] har[23] 1.8 5.0
def/bou hn[24] has[23] 1.8 5.0
def/bou hn[25] ha[24] 1.8 2.7
def/bou hn[26] ha[25] 1.8 2.7
def/bou hn[27] ha[26] 1.8 2.7
def/bou hn[28] ha[27] 1.8 2.7
def/bou hn[29] ha[28] 1.8 3.3
def/bou hn[30] ha[29] 1.8 5.0
def/bou hn[31] ha[30] 1.8 3.3
def/bou hn[32] har[31] 1.8 3.3
def/bou hn[32] has[31] 1.8 3.3
def/bou hn[33] ha[32] 1.8 2.7 
def/bou hn[34] ha[33] 1.8 2.7
def/bou hn[36] ha[35] 1.8 2.7
;..... long range hn-ha......
;
;....  Rd-turn, B-sheet # 1....
;def/bou hn[10] ha[8] 1.8 5.0
def/bou hn[11] ha[12] 1.8 5.0
def/bou hn[12] ha[9]  1.8 5.0
def/bou hn[15] ha[13] 1.8 5.0
def/bou hn[8] ha[14]  1.8 5.0
def/bou hn[8] ha[12]  1.8 5.0
def/bou hn[28] ha[16] 1.8 3.3
def/bou hn[19] ha[25] 1.8 5.0
def/bou hn[26] ha[18] 1.8 5.0
;
;.......B-sheet turn.......
;
def/bou hn[21] ha[19] 1.8 5.0
def/bou hn[23] ha[20] 1.8 3.3
def/bou hn[22] har[23] 1.8 5.0 
def/bou hn[22] ha[20] 1.8 5.0
def/bou ha[20] hn[24] 1.8 5.0
;
;....Rd-turn, B-sheet # 2......
def/bou hn[27] ha[33] 1.8 5.0
def/bou hn[17] ha[27] 1.8 5.0
def/bou hn[34] ha[26] 1.8 5.0      
;
;...AMIDE TO AMIDE (hn-hn)......
;
;
;.....long range..........
;
;....Rd-turn, B-sheet #1.....
def/bou hn[8] hn[12] 1.8 5.0
def/bou hn[8] hn[13] 1.8 3.3
def/bou hn[10] hn[12] 1.8 5.0
def/bou hn[11] hn[13] 1.8 5.0
def/bou hn[17] hn[26] 1.8 3.3
def/bou hn[17] hn[28] 1.8 5.0
;
;......B-sheet #1 turn.......
def/bou hn[21] hn[23] 1.8 3.3
def/bou hn[19] hn[24] 1.8 3.3
;
;....Rd-turn, B-sheet #2.....
def/bou hn[27] hn[31] 1.8 5.0
def/bou hn[27] hn[32] 1.8 3.3
def/bou hn[27] hn[34] 1.8 5.0
def/bou hn[29] hn[31] 1.8 3.3
def/bou hn[30] hn[32] 1.8 5.0
def/bou hn[35] hn[25] 1.8 3.3
;
;.... seqential hn-hn.......
def/bou hds[9] hn[10] 1.8 5.0
def/bou hn[10] hn[11] 1.8 2.7
def/bou hn[11] hn[12] 1.8 2.7
def/bou hn[12] hn[13] 1.8 2.7 
def/bou hn[14] hn[15] 1.8 3.3 
def/bou hn[15] hn[16] 1.8 5.0
def/bou hds[20] hn[21] 1.8 5.0 
def/bou hn[21] hn[22] 1.8 2.7
def/bou hn[22] hn[23] 1.8 2.7
def/bou hn[23] hn[24] 1.8 2.7
def/bou hn[28] hn[29] 1.8 3.3
def/bou hn[29] hn[30] 1.8 2.7
def/bou hn[30] hn[31] 1.8 2.7
def/bou hn[31] hn[32] 1.8 2.7
def/bou hn[32] hn[33] 1.8 5.0
def/bou hn[34] hn[35] 1.8 2.7
;
;.....B-sheet # 1........
def/bou ha[7] ha[14] 1.8 2.7 
def/bou ha[16] ha[27] 1.8 2.7
def/bou ha[18] ha[25] 1.8 2.7
def/bou ha[20] har[23] 1.8 5.0
;
;.....B-sheet # 2........
def/bou ha[26] ha[33] 1.8 2.7
;
;.......CC-Zn-CC......
def/bou hbr[11] hbs[30] 1.8 5.0
def/bou hbs[11] hbr[30] 1.8 5.0
def/bou hbs[8] hbr[27] 1.8 5.0
;
;......all others.......
;Val7
;def/bou hn[7] mgs[7] 1.8 3.8
;
def/bou hb[7] hn[8] 1.8 2.7
def/bou mgs[7] ha[9] 1.8 5.5
def/bou mgs[7] hdr[9] 1.8 3.8
def/bou mgs[7] ha[12] 1.8 5.5
def/bou mgr[7] mb[14] 1.8 6.0 
def/bou mgr[7] ha[14] 1.8 3.8 
;Cys8
def/bou hn[8] hbs[8] 1.8 2.7
def/bou hn[8] hbr[8] 1.8 2.7
;
def/bou hbr[8] hn[10] 1.8 5.0
def/bou hbr[8] hn[11] 1.8 5.0
def/bou hbr[8] hn[12] 1.8 3.3
def/bou hbs[8] hn[12] 1.8 5.0
def/bou hbr[8] hn[13] 1.8 2.7
def/bou hbs[8] hn[13] 1.8 3.3
def/bou hbr[8] hbs[13] 1.8 5.0
def/bou hbs[8] hbs[13] 1.8 5.0
def/bou hbs[8] mds[16] 1.8 3.8
def/bou hbs[8] md1[34] 1.8 5.5 
def/bou ha[8] md1[34] 1.8 3.8 
;Pro9
def/bou ha[9] hbs[9] 1.8 2.7
;
def/bou hbr[9] hn[10] 1.8 5.0 
def/bou hds[9] md1[34] 1.8 3.8
def/bou hdr[9] md1[34] 1.8 3.8 
;Ala10
def/bou hn[10] mb[10] 1.8 3.2
;
def/bou mb[10] hn[11] 1.8 3.2
def/bou mb[10] hn[12] 1.8 5.5
def/bou mb[10] hbs[32] 1.8 5.5
def/bou mb[10] hbr[32] 1.8 3.8
;Cys11
def/bou hbr[11] hn[12] 1.8 5.0
;Glu12
def/bou hn[12] ha[12] 1.8 2.7 
;
def/bou hbs[12] hn[13] 1.8 5.0
;Ser13
def/bou ha[13] hbr[13] 1.8 2.7
;
def/bou hbr[13] hn[14] 1.8 5.0
def/bou hbr[13] hn[15] 1.8 5.0
def/bou hbr[13] hgr[29] 1.8 5.0
def/bou hbr[13] hgs[29] 1.8 5.0
def/bou hbr[13] hbr[29] 1.8 3.3
def/bou hbr[13] hbs[29] 1.8 5.0
def/bou hbs[13] hbr[29] 1.8 5.0
def/bou hbs[13] hbs[29] 1.8 5.0
;Ala14
def/bou mb[14] hn[15] 1.8 3.8
;Glu15
def/bou hn[15] hbr[15] 1.8 2.7
;
def/bou hbs[15] hn[16] 1.8 5.0
def/bou hbr[15] hn[28] 1.8 5.0
def/bou hbs[15] hn[28] 1.8 5.0
def/bou hbr[15] mb[28] 1.8 3.8
def/bou hbs[15] mb[28] 1.8 3.8
;Leu16
def/bou ha[16] hbs[16] 1.8 2.7 
def/bou hbs[16] hn[17] 1.8 3.3
def/bou hg[16] hn[16] 1.8 2.7
;
def/bou mdr[16] md1[34] 1.8 4.3
def/bou mds[16] hn[28] 1.8 3.8
;Ile17
def/bou ha[17] mg2[17] 1.8 3.2
def/bou hg1s[17] hn[17] 1.8 3.3
def/bou hg1r[17] hn[17] 1.8 3.3
def/bou hb[17] hn[18] 1.8 3.3
def/bou hg1r[17] ha[28] 1.8 5.0
def/bou md1[17] hn[28] 1.8 5.5
def/bou md1[17] ha[28] 1.8 3.8
def/bou md1[17] mb[28] 1.8 4.2
def/bou mg2[17] mb[28] 1.8 4.2
def/bou hn[17] mg2[25] 1.8 3.8
;Tyr18
;def/bou ha[18] hb[25] 1.8 5.0
def/bou cb[18] mg2[25] 1.8 4.89
;Asp19
def/bou hbr[19] hn[22] 1.8 5.0
def/bou hbr[19] hn[23] 1.8 5.0
def/bou hbr[19] hn[24] 1.8 3.3
def/bou hbr[19] hbr[21] 1.8 5.0
def/bou hbr[19] hbr[22] 1.8 3.3
def/bou hbr[19] hbr[24] 1.8 3.3
def/bou hbs[19] mgs[26] 1.8 3.8
;Pro20
def/bou hgr[20] hn[21] 1.8 3.3
;Glu21
def/bou hbr[21] hn[21] 1.8 2.7
;
def/bou hbr[21] hn[22] 1.8 2.7 
def/bou hbr[21] hn[23] 1.8 5.0
;Arg22
def/bou hbr[22] hn[22] 1.8 2.7
def/bou hbr[22] hn[23] 1.8 3.3
def/bou hbr[22] hn[24] 1.8 3.3
def/bou hgs[22] hn[23] 1.8 5.0
;Gly23
;Glu24
def/bou ha[24] md1[25] 1.8 3.8
;def/bou hgr[24] ha[24] 1.8 2.7
def/bou hgs[24] hn[25] 1.8 3.3
;Ile25
def/bou hb[25] hn[34] 1.8 5.0
def/bou hb[25] hn[35] 1.8 5.0
def/bou mg2[25] hn[26] 1.8 3.8
;Val26
def/bou ha[26] md1[34] 1.8 5.5
def/bou hb[26] hn[27] 1.8 3.3
def/bou mgr[26] hn[27] 1.8 3.2
;Cys27
def/bou hn[27] hbr[27] 1.8 2.7
def/bou ha[27] mds[16] 1.8 3.2
def/bou hbs[27] mds[16] 1.8 3.8
def/bou hbs[27] md1[34] 1.8 5.5
def/bou hbs[27] hn[28] 1.8 5.0
def/bou hbr[27] hn[31] 1.8 5.0
def/bou hbr[27] hn[32] 1.8 3.3
def/bou hn[27] md1[34] 1.8 5.5
;Ala28
def/bou hn[28] mb[28] 1.8 3.2
;
def/bou mb[28] hn[16] 1.8 5.5
;Lys29
def/bou hbr[29] hn[29] 1.8 3.3
def/bou hbs[29] hn[29] 1.8 3.3
def/bou hbr[29] hn[30] 1.8 3.3
def/bou hbs[29] hn[30] 1.8 3.3
;Cys30
def/bou hbr[30] hn[31] 1.8 5.0
def/bou hbs[30] hn[31] 1.8 5.0
;Gly31
def/bou har[31] mgr[26] 1.8 3.8
;Tyr32
def/bou hbr[32] hn[33] 1.8 5.0
;Val33
def/bou mgs[33] hn[33] 1.8 3.2
def/bou mgs[33] ha[32] 1.8 5.5
;Ile34
def/bou hb[34] hn[35] 1.8 5.0
def/bou mg2[34] hn[35] 1.8 3.8
;.......Aromatics...........
;
;Tyr18
def/bou cz[18] ha[20] 1.8 5.44
def/bou cg[18] hbs[20] 1.8 7.14
def/bou cz[18] hbs[20] 1.8 5.44
def/bou cg[18] hdr[20] 1.8 7.14
def/bou cg[18] hgr[20] 1.8 7.14
def/bou cz[18] hgr[20] 1.8 5.44 
def/bou cz[18] har[23] 1.8 5.44
def/bou cg[18] ha[25] 1.8 7.14
def/bou cg[18] hg1s[25] 1.8 4.84
def/bou cg[18] md1[25] 1.8 5.34
def/bou cz[18] md1[25] 1.8 5.94
;
def/bou cg[18] hn[19] 1.8 5.44
def/bou cz[18] hn[23] 1.8 7.14
def/bou cg[18] hn[24] 1.8 7.14
def/bou cz[18] hn[24] 1.8 5.44
;Tyr32
def/bou cg[32] hds[9] 1.8 7.14
def/bou cz[32] hds[9] 1.8 7.14
def/bou cz[32] hbr[9] 1.8 7.14
def/bou cz[32] hgs[9] 1.8 7.14
def/bou cg[32] mb[10] 1.8 5.94
def/bou cz[32] mb[10] 1.8 7.64
def/bou cz[32] ha[34] 1.8 5.44
def/bou cg[32] hg1r[34] 1.8 5.44 
def/bou cg[32] md1[34] 1.8 5.94
def/bou cz[32] md1[34] 1.8 7.64
def/bou cg[32] hn[10] 1.8 7.14
def/bou cg[32] hn[34] 1.8 7.14
def/bou cg[32] hn[33] 1.8 5.44
;Val26
def/bou mgs[26] hn[26] 1.8 3.2
def/bou mgr[26] hn[32] 1.8 5.5
def/bou mgs[26] hgr[24] 1.8 3.8
def/bou mgs[26] hgs[24] 1.8 3.8
;Val33
def/bou mgr[33] hgr[24] 1.8 3.8
def/bou mgr[33] hgs[24] 1.8 3.8
def/bou mgr[33] hn[34] 1.8 3.2
;Ala10
def/bou mb[10] hbr[11] 1.8 5.5
;Leu16
def/bou hn[16] hn[28] 1.8 5.5
;Ile17
;Glu15
def/bou ha[15] hbs[15] 1.8 2.7
;Glu35
def/bou md1[25] hn[35] 1.8 3.8
def/bou mgr[33] hn[35] 1.8 3.8
def/bou hb[34] hn[35] 1.8 2.7
def/bou mg2[34] hn[35] 1.8 3.2
def/bou mg2[34] hbr[35] 1.8 3.8
;Glu36
def/bou hn[36] hn[37] 1.8 5.0
def/bou ha[24] ha[36] 1.8 3.3
def/bou ha[36] hn[37 1.8 2.7
def/bou hn[25] ha[36] 1.8 5.0
;Asn37
def/bou ha[37] hn[38] 1.8 2.7
;Ile38
def/bou ha[38] hn[39] 1.8 2.7
def/bou has[23] hn[38] 1.8 5.0
def/bou hb[38] cz[18] 1.8 4.84
def/bou md1[38] cz[18] 1.8 5.34
def/hbond hn[25] o[35] # 2.2
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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	10269	1pft	cing	1-original	4	DSPACE	distance	NOE	simple