NMR Restraints Grid |
Result table
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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