==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 07-NOV-11 3UJ0 . COMPND 2 MOLECULE: INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.IKURA,M.D.SEO,N.ISHIYAMA,P.STATHOPULOS . 1004 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 242 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 99 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 0 1 4 0 1 0 0 2 0 0 0 2 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 17 14 8 8 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A S 0 0 139 0, 0.0 2,-0.4 0, 0.0 166,-0.0 0.000 360.0 360.0 360.0-100.6 -13.9 -1.6 26.9 2 7 A S - 0 0 71 166,-0.1 166,-1.7 0, 0.0 2,-0.2 -0.992 360.0-166.0-141.2 130.5 -10.1 -2.0 27.3 3 8 A F B -A 167 0A 43 -2,-0.4 2,-0.3 164,-0.3 164,-0.3 -0.511 20.8-108.8-115.7 175.2 -7.4 0.0 25.5 4 9 A L - 0 0 0 162,-2.6 101,-1.9 101,-0.3 2,-0.3 -0.759 37.6-171.9-102.5 150.9 -3.7 0.2 24.6 5 10 A H B > -B 104 0B 28 -2,-0.3 2,-0.8 99,-0.3 3,-0.6 -0.853 36.2 -85.8-138.6 169.9 -1.4 2.7 26.2 6 11 A I T 3 S+ 0 0 13 97,-1.5 96,-3.1 94,-0.3 97,-0.2 -0.732 120.0 27.4 -77.2 110.3 2.0 4.3 26.3 7 12 A G T 3 S+ 0 0 8 48,-1.1 -1,-0.2 -2,-0.8 49,-0.1 -0.025 85.3 127.9 121.9 -31.4 3.9 1.9 28.5 8 13 A D < - 0 0 1 -3,-0.6 47,-1.8 208,-0.1 2,-0.6 -0.295 54.6-139.1 -48.5 137.0 1.9 -1.3 27.8 9 14 A I E +CD 54 214C 7 205,-3.1 204,-2.4 45,-0.2 205,-1.7 -0.948 36.0 162.2-103.8 116.8 4.2 -4.1 26.8 10 15 A A E -CD 53 212C 0 43,-2.3 43,-3.1 -2,-0.6 2,-0.3 -0.820 35.4-126.5-128.3 167.8 2.7 -6.1 24.0 11 16 A S E - D 0 211C 14 200,-3.2 200,-1.9 -2,-0.3 2,-0.5 -0.806 21.5-136.0-105.3 156.2 3.6 -8.6 21.3 12 17 A L E - D 0 210C 2 39,-0.4 10,-1.5 -2,-0.3 2,-0.6 -0.970 15.7-162.4-119.4 118.3 2.7 -8.0 17.6 13 18 A Y E -ED 21 209C 12 196,-3.0 196,-3.3 -2,-0.5 8,-0.3 -0.901 14.3-136.1-109.1 112.4 1.3 -11.0 15.7 14 19 A A E -ED 20 208C 0 6,-3.2 6,-1.1 -2,-0.6 194,-0.2 -0.319 20.4-178.8 -61.1 143.1 1.4 -10.9 11.9 15 20 A E E +E 19 0C 42 192,-1.4 4,-0.2 4,-0.2 -1,-0.1 -0.044 45.0 103.3-138.5 32.3 -1.8 -12.0 10.2 16 21 A G S S- 0 0 22 2,-1.2 190,-0.1 191,-0.1 3,-0.0 0.373 102.9 -56.7 -81.9-138.9 -0.9 -11.7 6.5 17 22 A S S S+ 0 0 112 168,-0.2 2,-0.4 1,-0.1 169,-0.1 0.778 137.3 47.3 -75.2 -31.0 -0.1 -14.6 4.2 18 23 A T S S- 0 0 21 167,-0.3 -2,-1.2 2,-0.0 2,-0.3 -0.937 81.7-161.6-105.9 135.2 2.7 -15.3 6.7 19 24 A N E +E 15 0C 57 -2,-0.4 2,-0.2 -4,-0.2 -4,-0.2 -0.799 29.3 104.2-111.3 158.6 1.8 -15.3 10.4 20 25 A G E -E 14 0C 0 -6,-1.1 -6,-3.2 -2,-0.3 2,-0.3 -0.822 62.2 -79.1 155.5 169.1 4.0 -14.9 13.5 21 26 A F E -E 13 0C 20 14,-0.5 14,-0.7 18,-0.3 2,-0.2 -0.770 48.8-112.2 -93.4 143.4 5.4 -12.8 16.3 22 27 A I E +L 34 0D 1 -10,-1.5 2,-0.3 -2,-0.3 -10,-0.2 -0.561 52.0 154.8 -77.1 143.4 8.1 -10.3 15.5 23 28 A S E -L 33 0D 21 10,-2.2 10,-2.6 -2,-0.2 2,-0.2 -0.968 37.0-110.4-161.1 164.3 11.4 -11.2 17.1 24 29 A T E -L 32 0D 11 26,-0.5 8,-0.2 -2,-0.3 3,-0.1 -0.494 16.5-134.3 -95.3 168.9 15.2 -10.8 17.0 25 30 A L S S- 0 0 54 6,-0.6 2,-0.3 4,-0.6 4,-0.1 0.332 74.7 -80.6 -98.3 2.2 17.9 -13.4 16.2 26 31 A G - 0 0 7 3,-0.3 -1,-0.4 5,-0.3 5,-0.2 -0.883 54.5 -56.0 137.9-164.2 19.8 -12.0 19.2 27 32 A L S S+ 0 0 33 364,-0.3 365,-0.1 -2,-0.3 -1,-0.1 0.424 126.1 50.5 -96.5 -3.1 22.0 -9.2 20.5 28 33 A V S S+ 0 0 48 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.867 105.4 54.9 -89.8 -59.4 24.7 -9.7 17.8 29 34 A D S S- 0 0 44 -4,-0.1 2,-1.2 1,-0.1 -4,-0.6 -0.655 71.1-153.5 -83.7 120.5 22.6 -9.8 14.7 30 35 A D + 0 0 84 -2,-0.5 111,-0.5 -5,-0.1 2,-0.3 -0.552 51.5 117.0 -95.1 68.6 20.4 -6.7 14.2 31 36 A R - 0 0 51 -2,-1.2 -6,-0.6 -5,-0.2 2,-0.4 -0.930 53.3-137.0-129.6 158.1 17.5 -8.2 12.1 32 37 A A E +L 24 0D 5 107,-0.6 167,-1.7 167,-0.3 2,-0.3 -0.921 29.1 164.9-118.9 141.6 13.8 -8.6 12.7 33 38 A V E -LM 23 198D 2 -10,-2.6 -10,-2.2 -2,-0.4 2,-0.5 -0.935 37.9-130.8-145.4 164.2 11.8 -11.7 11.8 34 39 A V E -LM 22 197D 0 163,-2.0 163,-1.9 -2,-0.3 -12,-0.2 -0.958 18.4-160.1-115.7 106.9 8.6 -13.7 12.3 35 40 A Q >> - 0 0 25 -14,-0.7 3,-0.8 -2,-0.5 4,-0.5 -0.804 13.6-167.5 -83.6 103.5 9.4 -17.3 13.1 36 41 A P T 34 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.825 79.1 41.0 -72.1 -38.2 6.0 -18.7 12.1 37 42 A E T 34 S+ 0 0 165 158,-0.3 3,-0.1 1,-0.2 -17,-0.1 0.359 97.1 81.5 -91.8 5.8 6.1 -22.2 13.5 38 43 A A T <4 S- 0 0 54 -3,-0.8 8,-0.6 1,-0.3 2,-0.2 0.779 110.3 -21.7 -77.1 -30.8 7.8 -21.0 16.8 39 44 A G < - 0 0 8 -4,-0.5 -1,-0.3 -3,-0.4 -18,-0.3 -0.851 54.1-164.5-179.6 144.3 4.4 -19.9 18.2 40 45 A D - 0 0 53 3,-3.4 -3,-0.0 -2,-0.2 -19,-0.0 -0.366 47.7 -88.5-111.3-167.6 0.9 -18.9 17.4 41 46 A L S S+ 0 0 68 -2,-0.1 -1,-0.1 3,-0.1 -28,-0.0 0.955 128.9 40.1 -64.6 -57.7 -1.9 -17.2 19.4 42 47 A N S S+ 0 0 140 1,-0.3 -1,-0.1 -3,-0.0 0, 0.0 0.950 126.0 36.1 -57.7 -56.3 -3.2 -20.5 20.8 43 48 A N S S- 0 0 128 0, 0.0 -3,-3.4 0, 0.0 -1,-0.3 -0.882 89.4-148.6-101.4 101.2 0.3 -21.9 21.4 44 49 A P - 0 0 60 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 -0.437 29.9 -88.9 -70.3 145.4 2.6 -19.0 22.5 45 50 A P > - 0 0 22 0, 0.0 3,-0.8 0, 0.0 -6,-0.2 0.022 27.6-125.1 -52.1 156.9 6.3 -19.1 21.5 46 51 A K T 3 S+ 0 0 102 -8,-0.6 2,-0.3 1,-0.3 3,-0.1 0.963 110.4 34.0 -72.4 -56.2 9.0 -20.8 23.7 47 52 A K T > S+ 0 0 72 1,-0.2 3,-2.4 -9,-0.1 -1,-0.3 -0.243 76.8 154.8 -91.1 45.3 11.4 -17.9 24.1 48 53 A F T < + 0 0 40 -3,-0.8 3,-0.5 -2,-0.3 -1,-0.2 0.408 54.6 84.8 -58.4 2.8 8.4 -15.4 24.1 49 54 A R T 3 S+ 0 0 81 1,-0.2 68,-0.5 2,-0.1 3,-0.4 0.615 87.2 55.6 -75.7 -14.0 10.6 -13.0 26.0 50 55 A D S < S+ 0 0 19 -3,-2.4 -26,-0.5 1,-0.2 -1,-0.2 0.482 96.8 60.5-100.0 -6.6 12.0 -11.9 22.6 51 56 A A S S+ 0 0 6 -3,-0.5 2,-0.5 -4,-0.2 -39,-0.4 0.053 81.8 113.4-104.9 24.3 8.6 -11.0 21.0 52 57 A L + 0 0 15 -3,-0.4 64,-1.7 -41,-0.1 65,-0.5 -0.863 40.8 178.0-103.0 128.9 7.9 -8.3 23.6 53 58 A F E -CF 10 115C 3 -43,-3.1 -43,-2.3 -2,-0.5 2,-0.4 -0.949 21.7-138.7-124.6 145.7 7.8 -4.7 22.7 54 59 A K E -CF 9 114C 82 60,-3.6 60,-2.1 -2,-0.3 2,-0.6 -0.814 23.8-124.2 -96.2 143.9 7.1 -1.6 24.7 55 60 A L E - F 0 113C 2 -47,-1.8 -48,-1.1 -2,-0.4 58,-0.2 -0.828 35.6-171.2 -88.6 118.0 4.9 1.1 23.1 56 61 A A E - F 0 112C 8 56,-3.4 56,-2.5 -2,-0.6 3,-0.1 -0.832 21.6-114.0-112.2 148.8 6.9 4.4 23.2 57 62 A P - 0 0 14 0, 0.0 55,-0.4 0, 0.0 2,-0.4 -0.034 57.2 -67.0 -63.4 179.3 5.8 8.0 22.4 58 63 A M - 0 0 11 53,-0.1 2,-0.2 92,-0.1 53,-0.1 -0.601 57.0-139.8 -74.9 125.3 7.4 9.8 19.5 59 64 A N - 0 0 13 -2,-0.4 2,-0.6 87,-0.2 90,-0.1 -0.489 11.0-117.1 -86.0 157.3 11.1 10.5 20.0 60 65 A R + 0 0 0 29,-0.2 33,-0.1 -2,-0.2 4,-0.1 -0.838 34.8 166.4 -98.4 121.9 13.0 13.6 19.2 61 66 A Y + 0 0 1 -2,-0.6 86,-0.2 3,-0.1 614,-0.1 -0.518 42.9 97.9-133.7 64.6 15.8 13.3 16.6 62 67 A S S > S+ 0 0 6 3,-0.1 4,-1.9 -2,-0.1 5,-0.1 0.747 91.1 29.2-109.5 -62.1 16.7 16.8 15.5 63 68 A A H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 23,-0.4 0.769 121.9 55.2 -71.8 -25.3 19.8 17.9 17.4 64 69 A Q H > S+ 0 0 11 2,-0.2 4,-0.9 21,-0.2 -1,-0.2 0.848 107.7 48.1 -73.8 -37.6 20.9 14.2 17.7 65 70 A K H 4 S+ 0 0 74 2,-0.2 3,-0.2 1,-0.2 -2,-0.2 0.866 108.4 55.7 -67.2 -40.3 20.7 13.8 13.9 66 71 A Q H < S+ 0 0 104 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.930 104.8 53.1 -51.6 -51.5 22.7 17.1 13.6 67 72 A F H < S+ 0 0 59 -4,-1.8 2,-1.8 15,-0.3 3,-0.3 0.751 89.1 78.8 -60.9 -29.7 25.5 15.6 15.8 68 73 A W S < S+ 0 0 110 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.1 -0.233 70.9 88.8 -76.1 47.6 25.7 12.5 13.5 69 74 A K 0 0 101 -2,-1.8 -1,-0.2 -3,-0.1 -2,-0.1 -0.198 360.0 360.0-130.9 41.4 27.7 14.6 11.1 70 75 A A 0 0 98 -3,-0.3 -3,-0.0 2,-0.1 -2,-0.0 -0.760 360.0 360.0 -85.7 360.0 31.1 13.8 12.7 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 82 A S 0 0 138 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 16.7 32.0 17.2 8.1 73 83 A T + 0 0 44 1,-0.1 -4,-0.0 -4,-0.0 0, 0.0 -0.990 360.0 179.5-142.6 131.1 33.8 19.3 10.8 74 84 A T + 0 0 144 -2,-0.4 -1,-0.1 5,-0.0 2,-0.1 0.753 69.6 89.9 -87.5 -33.5 37.4 20.5 11.6 75 85 A D - 0 0 97 1,-0.1 4,-0.3 2,-0.0 -2,-0.0 -0.328 55.6-165.7 -74.5 146.9 36.2 22.4 14.7 76 86 A A S > S+ 0 0 73 2,-0.1 4,-2.3 3,-0.1 5,-0.2 0.835 84.2 53.8 -99.0 -44.5 36.1 20.8 18.2 77 87 A V H > S+ 0 0 122 2,-0.2 4,-3.5 1,-0.2 5,-0.1 0.910 108.4 52.0 -61.8 -43.8 34.0 23.2 20.2 78 88 A L H > S+ 0 0 68 2,-0.2 4,-4.0 1,-0.2 -1,-0.2 0.882 109.5 51.2 -56.5 -41.3 31.2 23.1 17.6 79 89 A L H > S+ 0 0 53 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.893 113.4 43.3 -62.8 -41.4 31.4 19.3 18.0 80 90 A N H X S+ 0 0 115 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.820 116.3 48.6 -73.3 -31.7 31.1 19.7 21.8 81 91 A K H X S+ 0 0 143 -4,-3.5 4,-1.5 -5,-0.2 -2,-0.2 0.981 112.5 48.4 -60.2 -58.7 28.4 22.3 21.2 82 92 A L H X S+ 0 0 41 -4,-4.0 4,-1.4 1,-0.2 -15,-0.3 0.776 113.8 45.8 -56.3 -37.4 26.6 19.9 18.8 83 93 A H H X S+ 0 0 72 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.891 103.1 62.3 -72.2 -44.2 26.8 16.9 21.1 84 94 A H H X S+ 0 0 118 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.847 107.1 46.8 -53.0 -37.9 25.7 18.8 24.2 85 95 A A H X S+ 0 0 36 -4,-1.5 4,-3.9 2,-0.2 5,-0.4 0.956 107.5 54.7 -64.0 -54.4 22.4 19.4 22.4 86 96 A A H X S+ 0 0 4 -4,-1.4 4,-0.8 -23,-0.4 -2,-0.2 0.671 113.3 44.6 -55.5 -20.1 22.0 15.8 21.3 87 97 A D H X S+ 0 0 87 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.817 113.5 47.8 -92.4 -40.2 22.4 14.9 25.0 88 98 A L H X S+ 0 0 84 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.917 116.4 45.0 -60.9 -45.8 20.0 17.5 26.2 89 99 A E H X S+ 0 0 14 -4,-3.9 4,-2.3 2,-0.2 -29,-0.2 0.935 109.4 55.6 -63.0 -46.8 17.5 16.5 23.6 90 100 A K H X S+ 0 0 92 -4,-0.8 4,-0.9 -5,-0.4 -1,-0.2 0.827 113.9 41.1 -58.2 -34.7 18.1 12.8 24.4 91 101 A K H X S+ 0 0 106 -4,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.729 106.6 62.0 -84.8 -24.7 17.2 13.6 28.0 92 102 A Q H X S+ 0 0 36 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.872 101.5 55.1 -66.3 -37.0 14.3 15.9 27.1 93 103 A N H X S+ 0 0 4 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.949 106.9 50.0 -52.3 -53.2 12.7 12.8 25.4 94 104 A E H X S+ 0 0 107 -4,-0.9 4,-1.2 1,-0.2 -2,-0.2 0.905 109.0 50.5 -57.0 -49.0 13.0 10.9 28.7 95 105 A T H X S+ 0 0 70 -4,-2.1 4,-0.8 1,-0.2 3,-0.4 0.943 118.0 39.2 -49.4 -56.1 11.4 13.7 30.8 96 106 A E H >X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 3,-0.9 0.892 108.1 58.4 -68.9 -46.4 8.4 13.9 28.4 97 107 A N H 3< S+ 0 0 17 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.758 103.8 56.7 -59.0 -23.0 7.9 10.2 27.6 98 108 A R H >< S+ 0 0 158 -4,-1.2 3,-0.6 -3,-0.4 -1,-0.3 0.836 106.0 49.6 -73.5 -35.8 7.4 9.7 31.3 99 109 A K H << S+ 0 0 100 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.887 107.8 52.6 -68.1 -41.0 4.6 12.3 31.3 100 110 A L T >< S+ 0 0 22 -4,-2.1 3,-1.5 2,-0.1 -94,-0.3 0.453 84.8 127.9 -78.2 1.0 2.9 10.6 28.3 101 111 A L T < S+ 0 0 81 -3,-0.6 -94,-0.2 1,-0.2 3,-0.1 -0.343 73.5 10.8 -57.6 133.2 3.1 7.4 30.3 102 112 A G 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