NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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11017 |
1qrj   |
4311 | cing | 1-original | 5 | DYANA/DIANA | distance | NOE | simple |
#------------ Main Chain ---------------------------- 36 GLN HA 36 GLN HN 3.3 # 36 GLN HA 37 PHE HN 5.5 # 36 GLN HN 37 PHE HN 2.9 # 36 GLN HN 38 MET HN 5.0 # 36 GLN HN 39 GLN HN 5.0 # 36 GLN HA 39 GLN HN 5.0 # 36 GLN HA 39 GLN QB 3.3 # 36 GLN HA 40 THR HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 37 PHE HA 37 PHE HN 5.0 # 3.3-5.0 37 PHE HA 38 MET HN 5.5 # 37 PHE HN 38 MET HN 2.9 # 37 PHE HN 39 GLN HN 5.0 # 37 PHE HN 40 THR HN 5.5 # 37 PHE HA 40 THR HN 5.0 # 37 PHE HA 40 THR HB 5.0 # 37 PHE HA 40 THR QG2 5.0 #o #37 PHE HA 41 ILE HN 5.0 # not present #------------ Side Chain ---------------------------- 37 PHE HD1 41 ILE QG2 5.00 1.00E+00 # ### 37 PHE HE1 41 ILE QG2 5.50 1.00E+00 # ### 37 PHE HD1 41 ILE QD1 3.30 1.00E+00 # # Jul-4 37 PHE HE1 41 ILE QD1 3.30 1.00E+00 # # Jul-4 37 PHE HZ 41 ILE QD1 5.00 1.00E+00 # # Jul-4 37 PHE HZ 41 ILE QG2 5.50 1.00E+00 # # #------------ Main Chain ---------------------------- 38 MET HA 38 MET HN 5.5 # vw cnnoe plane 38 MET HA 39 GLN HN 5.0 # #38 HN very weak (no capping) 38 MET HN 39 GLN HN 2.9 # #38 MET HN 40 THR HN 5.0 # not present 38 MET HN 41 ILE HN 5.0 # 38 MET HA 41 ILE HN 5.0 # 38 MET HA 41 ILE HB 5.0 # WEAK 38 MET HA 42 ARG+ HN 5.0 # #------------ Side Chain ---------------------------- 37 PHE HD1 38 MET QE 5.50 1.00E+00 # 37 PHE HE1 38 MET QE 5.50 1.00E+00 # 37 PHE HD1 38 MET HN 5.00 1.00E+00 #3d # 38 MET HA 41 ILE HA 5.50 1.00E+00 # 38 MET HA 41 ILE HG12 5.00 1.00E+00 # 38 MET HA 41 ILE HG13 5.00 1.00E+00 # 38 MET HA 41 ILE QD1 3.80 1.00E+00 #sd # 38 MET HA 41 ILE QG2 5.00 1.00E+00#sd # 38 MET QE 41 ILE HA 5.50 1.00E+00 #sd 38 MET QE 41 ILE HB 5.50 1.00E+00 # # Jul-4 38 MET QE 41 ILE HG12 5.50 1.00E+00 #sdviaqg2 38 MET QE 41 ILE HG13 5.50 1.00E+00 #sdviaqg2 # 38 MET QE 41 ILE QD1 5.50 1.00E+00 #sdviaqg2 38 MET QE 41 ILE QG2 3.30 1.00E+00 # 38 MET QE 42 ARG+ HA 5.50 1.00E+00 # 38 MET QE 42 ARG+ QD 3.30 1.00E+00 # # Jul-4 #------------ Main Chain ---------------------------- #sch 39 exposed 39 GLN HA 39 GLN HN 3.3 # 39 GLN HA 40 THR HN 3.8 #sd 39 GLN HN 40 THR HN 2.9 # 39 GLN HN 41 ILE HN 5.0 # 39 GLN HN 42 ARG+ HN 5.0 # 39 GLN HA 42 ARG+ HN 5.0 # 39 GLN HA 42 ARG+ QB 3.3 # 39 GLN HA 43 LEU HN 5.0 # #------------ Side Chain ---------------------------- #39 GLN QB 40 THR HA 5.00 1.00E+00 # ###sd #39 GLN QB 40 THR HB 5.50 1.00E+00 # ###sd #39 GLN QB 40 THR QG2 5.50 1.00E+00 # ###sd 39 GLN QG 43 LEU HN 5.0 # #39 GLN QG 43 LEU HA 2.7 #o/over #39 GLN QG 43 LEU HG 5.5 #sd 39 GLN QG 43 LEU HB2 5.5 #o 39 GLN QG 43 LEU HB3 5.5 #o 39 GLN QG 43 LEU QQD 5.0 #sd #------------ Main Chain ---------------------------- 40 THR HA 40 THR HN 3.3 # 40 THR HA 41 ILE HN 5.0 # 40 THR HN 41 ILE HN 2.9 # 40 THR HN 42 ARG+ HN 5.0 # 40 THR HN 43 LEU HN 5.0 # 40 THR HA 43 LEU HN 5.0 # 40 THR HA 43 LEU QB 3.3 # 40 THR HA 44 ALA HN 5.5 # vw #------------ Side Chain ---------------------------- #40 THR HN 41 ILE QG2 5.5 #o,too weak,sd #40 THR HN 41 ILE QD1 5.0 #o #40 THR QG2 41 ILE QG1 3.3 #< #40 THR QG2 41 ILE QG2 5.0 #> #40 THR QG2 41 ILE HA 5.0 #o/sd #40 THR HA 43 LEU QQD 5.00 1.00E+00 # ###ov 40 THR HA 43 LEU HG 5.50 1.00E+00 # ### 40 THR HA 43 LEU HB2 5.00 1.00E+00 # ### 40 THR HA 43 LEU HB3 5.00 1.00E+00 # ### #40 THR QG2 43 LEU QQD 3.30 1.00E+00 # ### #40 THR QG2 43 LEU HG 5.50 1.00E+00 # ##sd #40 THR QG2 43 LEU HB3 5.50 1.00E+00 # ##sd #40 THR QG2 43 LEU HB2 5.50 1.00E+00 # ##sd #40 THR QG2 43 LEU HA 5.00 1.00E+00 # ##sd #------------ Main Chain ---------------------------- 41 ILE HA 41 ILE HN 5.0 # 41 ILE HA 42 ARG+ HN 5.0 # 41 ILE HN 42 ARG+ HN 2.9 # 41 ILE HN 43 LEU HN 5.0 # 41 ILE HN 44 ALA HN 5.0 # 41 ILE HA 44 ALA HN 5.0 # 41 ILE HA 44 ALA QB 3.3 # 41 ILE HA 45 VAL HN 5.0 # #------------ Side Chain ---------------------------- #41 ILE HB 44 ALA QB 5.50 1.00E+00 #sd 41 ILE QD1 44 ALA QB 5.00 1.00E+00 #vs,sd! 41 ILE QG2 44 ALA QB 5.50 1.00E+00 #sd #41 ILE QD1 44 ALA HA 5.50 1.00E+00 # sd #41 ILE QG2 44 ALA HA 5.50 1.00E+00 # sd 41 ILE QG2 44 ALA HN 5.50 1.00E+00 # #------------ Main Chain ---------------------------- 42 ARG+ HA 42 ARG+ HN 5.0 # 42 ARG+ HA 43 LEU HN 5.5 # 42 ARG+ HN 43 LEU HN 2.9 # 42 ARG+ HN 44 ALA HN 5.0 # 42 ARG+ HN 45 VAL HN 5.0 # 42 ARG+ HA 45 VAL HN 5.0 # 42 ARG+ HA 45 VAL HB 5.5 # 42 ARG+ HA 46 GLN HN 5.0 # #------------ Side Chain ---------------------------- 42 ARG+ HA 45 VAL QG2 5.5 #sd> 42 ARG+ HA 45 VAL QG1 3.3 #< #------------ Main Chain ---------------------------- 43 LEU HA 43 LEU HN 3.3 # 43 LEU HA 44 ALA HN 5.0 # 43 LEU HN 44 ALA HN 2.9 # 43 LEU HN 45 VAL HN 5.0 # 43 LEU HN 46 GLN HN 5.5 # vw 43 LEU HA 46 GLN HN 5.0 #ov 43 LEU HA 46 GLN QB 3.3 # 43 LEU HA 47 GLN HN 5.0 #ov #-----Side Chain (REss=>qd1=0.97/24.3;qd2=0.99/24.6, but QQD for 4dresolution)-- 43 LEU QQD 47 GLN HG2 5.5 # 43 LEU QQD 47 GLN HG3 5.5 # 43 LEU HG 47 GLN HG2 5.5 # #43 LEU HG 47 GLN HG3 5.5 #sd 43 LEU HB3 47 GLN HG3 5.0 # 43 LEU QQD 47 GLN HE21 3.3 # 43 LEU HG 47 GLN HE22 5.5 # 43 LEU QQD 47 GLN HE22 3.3 # #43 LEU QD1 46 GLN HN 5.5 #sd 43 LEU QQD 46 GLN HE22 5.0 # 43 LEU QD1 47 GLN HN 5.0 # #------------ Main Chain ---------------------------- 44 ALA HA 44 ALA HN 3.3 # 44 ALA HA 45 VAL HN 5.0 # 44 ALA HN 45 VAL HN 2.9 # 44 ALA HN 46 GLN HN 5.0 # 44 ALA HN 47 GLN HN 5.0 # 44 ALA HA 47 GLN HN 5.0 # 44 ALA HA 47 GLN HB2 5.0 #sd 44 ALA HA 47 GLN HB3 5.0 #sd 44 ALA HA 47 GLN HG2 5.5 # 44 ALA HA 47 GLN HG3 5.0 # #44 ALA HA 48 PHE HN 5.0 # not present #------------ Side Chain ---------------------------- #44 ALA QB 47 GLN HG2 5.5 #sd #44 ALA QB 47 GLN HG3 5.5 #sd #44 ALA QB 48 PHE HA 5.50 #sd 44 ALA QB 48 PHE HD1 3.30 1.00E+00 # # 44 ALA HA 48 PHE HD1 3.30 1.00E+00 #2d 44 ALA HA 48 PHE HE1 5.00 1.00E+00 #2d 44 ALA QB 48 PHE HE1 5.00 1.00E+00 # # 44 ALA QB 48 PHE HN 5.00 1.00E+00 # 44 ALA QB 49 ASP- HN 5.50 1.00E+00 # ### #------------ Main Chain ---------------------------- 45 VAL HA 45 VAL HN 5.0 # #45 VAL QG2 45 VAL HN 3.3 #< #45 VAL QG1 45 VAL HN 5.0 #> #45 VAL HA 46 GLN HN # NONe # #45 VAL QG2 46 GLN HN 5.5 #> #45 VAL QG1 46 GLN HN 5.0 #< 45 VAL HN 46 GLN HN 2.9 # 45 VAL HN 47 GLN HN 5.0 # #45 VAL HN 48 PHE HN 5.0 #not present 45 VAL HA 48 PHE HN 5.0 # #45 VAL HA 48 PHE HB 3.3 # not present 45 VAL HA 48 PHE HD1 5.5 #2d 45 VAL HA 49 ASP- HN 5.0 # #---------Side Chain (ss=>qg1=0.97,22;qg2=1.12,24)---- 45 VAL HN 41 ILE QG2 5.00 1.00E+00 45 VAL QG2 49 ASP- HA 5.50 #> 45 VAL QG1 49 ASP- HA 5.00 #< 45 VAL HB 50 PRO HD2 5.00 # 45 VAL HB 50 PRO HD3 5.50 # 45 VAL QG2 50 PRO HD2 5.50 # 45 VAL QG2 50 PRO HD3 5.50 # 45 VAL QG1 50 PRO HD3 5.50 # 45 VAL QG2 50 PRO QB 5.50 1.00E+00 # #------------ Main Chain ---------------------------- 46 GLN HA 46 GLN HN 3.3 # 46 GLN HN 47 GLN HN 2.9 # 46 GLN HA 47 GLN HN 5.0 # 46 GLN HN 48 PHE HN 5.0 # 46 GLN HN 49 ASP- HN 5.0 # 46 GLN HA 49 ASP- HN 5.0 # 46 GLN HA 49 ASP- HB3 5.0 # ONLY HB3 W #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 47 GLN HA 47 GLN HN 3.3 # 47 GLN HA 47 GLN HE21 5.5 # 47 GLN HA 48 PHE HN 5.0 #sd,from 3.8 47 GLN HN 48 PHE HN 2.9 # 47 GLN HN 49 ASP- HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 48 PHE HA 48 PHE HN 3.3 # 48 PHE HA 49 ASP- HN 5.0 # 48 PHE HN 49 ASP- HN 2.9 # #------------ Side Chain ---------------------------- 48 PHE HA 48 PHE HD1 3.3 #2d,flex? ################################################ #~~~~~~~~~~~~~LOOP-II (49-51)~~~~~~~~~~~ ################################################ #49 sch does not see anything,i.e. exposed sch. #$$$$$$$$---PRO50 is TRANS---$$$$$$$#Ha49 weak but clear trans. 49 ASP- HA 50 PRO HD2 3.80 #weak ha in 3d 49 ASP- HA 50 PRO HD3 3.80 #weak ha in 3d 49 ASP- HA 49 ASP- HN 3.3 # #PRO50 #Both NH 51 & qb 50 see something at 2.52 50 PRO HA 51 THR HN 2.9 #3d,from 3.3 50 PRO HA 54 ASP- HB2 5.50 1.00E+00 #3d 50 PRO HA 54 ASP- HB3 5.50 1.00E+00 #3d 50 PRO QB 55 LEU QD2 5.50 1.00E+00 # #50 PRO HA 55 LEU QD1 5.50 1.00E+00 #sd? 50 PRO HA 55 LEU QD2 5.50 1.00E+00 # 51 THR HA 51 THR HN 5.0 #3d 51 THR HA 52 ALA HN 2.9 #3d, from 3.3 51 THR HN 52 ALA HN 5.0 #3d 51 THR QG2 52 ALA HN 5.50 # #51 THR HN 53 LYS+ QD 5.50 1.00E+00 #3d,sdviaqg2 51 THR QG2 53 LYS+ HN 5.00 1.00E+00 # 51 THR HN 54 ASP- HN 5.00 1.00E+00 # 51 THR QG2 54 ASP- HN 5.50 1.00E+00 # 51 THR HN 54 ASP- HB2 5.50 1.00E+00 #3d 51 THR HN 54 ASP- HB3 5.50 1.00E+00 #3d
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