NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11013 |
1qrj   |
4311 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
#D means diferential constraint which is commented out #~~~~~~~~~~Definition of the extention of the helices:~~~~~~~~~~~~~~~# # A residue i is included in the N-terminus if the CO of i-1 forms # # a H-bond with the NH of residue i+3. # # A C-terminal j residue is included if the NH of j+1 forms a H-bond # # with the CO of residue j-3. # # The evidence of the H-bonds is always from NOE patters, that can # # be supported by D2O exch data (indicated by # in the H-bonds). # # In the helix below include preceding and following residue. # #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~# #@@@@@@@@@@@@@@DOMAIN N: 6-130@@@@@@@@@@@@@@@@@@@ ################################################ #~~~~~~~~~~~~~N-TERMINUS(6-16)~~~~~~~~~~~ ################################################ #The first NH observed is G8, but can get also the CHs of S7# 7 SER HA 8 GLY HN 3.30 1.00E+00 # ###o 7 SER QB 8 GLY HN 5.50 1.00E+00 # ###o 8 GLY QA 8 GLY HN 2.7 # # 8 GLY HN 9 HIS+ HN 5.00 1.00E+00 # ###n.o. 8 GLY QA 9 HIS+ HN 5.00 1.00E+00 # ###o 8 GLY QA 10 ILE HN 5.50 1.00E+00 # ###o 9 HIS+ HA 9 HIS+ HN 5.0 # under noise # 9 HIS+ HN 10 ILE HN 5.00 1.00E+00 # ###n.o. 9 HIS+ HA 10 ILE HN 2.90 1.00E+00 # ###o 9 HIS+ HA 11 GLU- HN 5.50 1.00E+00 # ###o 9 HIS+ QB 10 ILE HN 2.70 1.00E+00 # ###o 9 HIS+ QB 11 GLU- HN 5.50 1.00E+00 # ###o 10 ILE HA 10 ILE HN 3.30 # 10 ILE HN 11 GLU- HN 3.30 1.00E+00 # ###o 10 ILE HA 11 GLU- HN 2.90 1.00E+00 # ###o 10 ILE QG2 12 GLY HN 5.50 1.00E+00 # ###o 10 ILE QG2 13 ARG+ HN 5.00 1.00E+00 # ###o 10 ILE HB 13 ARG+ HN 5.50 1.00E+00 # ###o 11 GLU- HA 11 GLU- HN 3.30 # 11 GLU- HN 12 GLY HN 5.00 1.00E+00 # ###o 11 GLU- HA 12 GLY HN 2.90 1.00E+00 # ###o 11 GLU- HN 13 ARG+ HN 5.50 1.00E+00 # ###o 11 GLU- HA 13 ARG+ HN 3.30 1.00E+00 # ###o 11 GLU- QB 13 ARG+ HN 5.50 1.00E+00 # ###o 11 GLU- QG 13 ARG+ HN 5.50 1.00E+00 # ###o 12 GLY QA 12 GLY HN 2.7 # 12 GLY QA 13 ARG+ HN 2.7 # 12 GLY HN 13 ARG+ HN 2.90 1.00E+00 # ###o 12 GLY QA 51 THR QG2 3.30 1.00E+00 # ###o 13 ARG+ HA 13 ARG+ HN 3.30 # 13 ARG+ HA 14 HIS+ HN 2.90 #3d # 13 ARG+ HN 14 HIS+ HN 2.9 1.00E+00 # not present # 13 ARG+ HN 14 HIS+ HA 3.30 1.00E+00 # ###o 13 ARG+ QG 15 MET HN 5.50 1.00E+00 # ###o 13 ARG+ HA 15 MET HN 5.00 1.00E+00 # ###o 13 ARG+ HN 14 HIS+ HD2 5.5 1.00E+00 # ###3d # 13 ARG+ HA 16 GLN HN 5.5 #3d 14 HIS+ HA 14 HIS+ HN 5.0 # Very weak plane overall 14 HIS+ HA 15 MET HN 2.7 #o/over # 14 HIS+ HE1 15 MET HB3 3.3 #3d<,not on clear 2d 14 HIS+ HD2 15 MET HN 5.0 #3d 14 HIS+ HN 15 MET HN 5.0 1.00E+00 # ###3d, could be 2.9 14weak 15 MET HA 15 MET HN 3.30 # 15 MET HA 16 GLN HN 2.9 #3d,from 3.3 15 MET HN 16 GLN HN 5.50 1.00E+00 # # 15 MET HA 20 LEU QD1 5.50 1.00E+00 #sd # 15 MET HA 20 LEU QD2 5.50 1.00E+00 #sd # 15 MET HG3 20 LEU QD1 5.50 1.00E+00 #sd # 15 MET HG3 20 LEU QD2 5.50 1.00E+00 #sd # 15 MET QB 20 LEU QD1 5.50 1.00E+00 #>sd # 15 MET QB 20 LEU QD2 5.50 1.00E+00 #>sd 15 MET QE 20 LEU HG 3.30 1.00E+00 # 15 MET QE 20 LEU QD1 5.00 1.00E+00 #3d 15 MET QE 20 LEU QD2 3.30 1.00E+00 #< # 15 MET QE 19 ASP- HA 5.00 1.00E+00 #sdviaqb 15 MET QE 19 ASP- HB2 5.00 1.00E+00 # # 15 MET QE 19 ASP- HB3 5.00 1.00E+00 # # # 15 MET QE 19 ASP- HN 5.50 1.00E+00 # #sd 15 MET QE 23 ILE QD1 2.70 1.00E+00 # #D 15 MET QE 23 ILE QG2 5.00 1.00E+00 #sd 16 GLN HA 16 GLN HN 3.30 # # 16 GLN HN 17 MET HN 5.00 1.00E+00 # ###n.o. 16 GLN HA 17 MET HN 3.30 1.00E+00 # ###o,3d 16 GLN HN 18 LYS+ HN 5.50 1.00E+00 # ### # 16 GLN HN 18 LYS+ QG 5.50 1.00E+00 # ###sd 16 GLN HN 19 ASP- HN 5.00 1.00E+00 # #expsch 16 GLN HA 18 LYS+ QG 5.00 1.00E+00 # ###o 16 GLN HB2 18 LYS+ QG 5.50 1.00E+00 # ###o # 16 GLN HB3 18 LYS+ QG 5.50 1.00E+00 # ###over 16 GLN QG 18 LYS+ QG 5.00 1.00E+00 # ###o # 16 GLN HA 18 LYS+ QE 5.50 1.00E+00 # ###sd? 16 GLN HB2 18 LYS+ QE 5.50 1.00E+00 # ###o # 16 GLN HB3 18 LYS+ QE 5.50 1.00E+00 # ###over 16 GLN QG 18 LYS+ QE 3.30 1.00E+00 # ###o 16 GLN HN 20 LEU HN 5.50 1.00E+00 # ###o # 16 GLN HN 20 LEU QD1 5.50 1.00E+00 # ###o # 16 GLN HN 19 ASP- HA 5.50 1.00E+00 # # sd via hbs # 16 GLN HN 19 ASP- HB2 5.50 1.00E+00 # #sd 16 GLN HN 19 ASP- HB3 5.50 1.00E+00 # #3d, 16 GLN HB2 17 MET HN 5.00 1.00E+00 # #from 5.5 16 GLN HB3 17 MET HN 5.00 1.00E+00 # # from 5.5 16 GLN HB2 18 LYS+ HN 5.50 1.00E+00 # # # 16 GLN HB3 18 LYS+ HN 5.50 1.00E+00 # #over 16 GLN HB2 19 ASP- HN 5.50 1.00E+00 # # # 16 GLN HB3 19 ASP- HN 5.50 1.00E+00 # #over 16 GLN QG 17 MET HN 5.50 1.00E+00 # # 16 GLN QG 18 LYS+ HN 3.30 1.00E+00 # # 16 GLN QG 19 ASP- HN 3.80 1.00E+00 # #
Contact the webmaster for help, if required. Friday, May 3, 2024 6:08:44 PM GMT (wattos1)