==== 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 3UJ4 . 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 . 976 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 669 68.5 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 . 271 27.8 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 . 0 0.0 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 88 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 2 4 2 0 1 0 1 0 0 0 1 1 0 0 0 1 0 1 0 2 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 . 21 21 5 3 12 5 2 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 0 0 0 0 0 0 0 0 0 0 4 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 7 A S 0 0 117 0, 0.0 164,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 112.6 -23.3 -24.8 45.6 2 8 A F B -A 164 0A 65 162,-0.2 2,-0.4 1,-0.0 162,-0.2 -0.594 360.0-107.6-107.5 161.3 -20.6 -27.0 44.2 3 9 A L - 0 0 0 160,-2.4 99,-2.6 99,-0.3 2,-0.4 -0.719 39.3-162.7 -88.1 133.6 -18.6 -26.9 41.0 4 10 A H B > -B 101 0B 27 -2,-0.4 3,-2.7 97,-0.2 50,-0.3 -0.929 29.8-104.7-122.2 140.2 -19.5 -29.7 38.5 5 11 A I T 3 S+ 0 0 13 95,-2.2 94,-3.1 -2,-0.4 95,-0.2 -0.463 116.1 32.9 -52.7 122.8 -17.9 -31.3 35.5 6 12 A G T 3 S+ 0 0 3 48,-2.7 -1,-0.3 1,-0.4 2,-0.1 0.249 86.5 130.1 105.3 -11.8 -20.1 -29.7 32.8 7 13 A D < - 0 0 0 -3,-2.7 47,-2.5 47,-0.1 2,-0.5 -0.478 54.0-135.7 -68.3 142.4 -20.7 -26.4 34.5 8 14 A I E +CD 53 211C 4 203,-2.9 202,-2.5 45,-0.2 203,-1.7 -0.918 38.5 159.2 -99.0 130.0 -20.0 -23.3 32.4 9 15 A A E -CD 52 209C 0 43,-3.0 43,-3.5 -2,-0.5 2,-0.3 -0.977 37.4-128.9-146.7 157.2 -18.1 -20.7 34.4 10 16 A S E -CD 51 208C 0 198,-2.6 198,-2.8 -2,-0.3 2,-0.5 -0.795 24.2-135.7-101.0 152.1 -15.9 -17.6 34.0 11 17 A L E - D 0 207C 2 39,-0.6 10,-1.6 -2,-0.3 2,-0.7 -0.946 14.4-156.7-112.2 127.6 -12.7 -17.4 35.9 12 18 A Y E -ED 20 206C 17 194,-2.4 194,-2.3 -2,-0.5 8,-0.3 -0.890 9.8-140.5-114.0 108.6 -11.9 -14.1 37.6 13 19 A A E -ED 19 205C 0 6,-2.8 6,-1.7 -2,-0.7 2,-0.3 -0.427 25.0-173.6 -60.1 127.3 -8.2 -13.2 38.3 14 20 A E E + D 0 204C 44 190,-2.7 190,-1.6 4,-0.2 2,-0.4 -0.930 41.0 48.6-125.7 155.4 -7.8 -11.6 41.6 15 21 A G S S- 0 0 53 -2,-0.3 3,-0.1 1,-0.2 188,-0.1 -0.992 115.9 -6.5 125.2-131.3 -4.8 -10.0 43.3 16 22 A S S S+ 0 0 107 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.836 138.0 40.1 -71.7 -35.8 -2.5 -7.5 41.6 17 23 A T S S- 0 0 14 165,-0.2 2,-0.4 -3,-0.2 -1,-0.2 -0.954 78.4-165.3-118.1 112.1 -4.2 -7.9 38.2 18 24 A N + 0 0 63 -2,-0.5 2,-0.2 -3,-0.1 -4,-0.2 -0.826 34.8 89.0-100.4 132.0 -8.0 -8.2 38.4 19 25 A G E -E 13 0C 0 -6,-1.7 -6,-2.8 -2,-0.4 2,-0.3 -0.870 68.2 -79.7 163.0 168.1 -10.1 -9.4 35.4 20 26 A F E -E 12 0C 6 18,-0.4 14,-0.9 14,-0.3 2,-0.3 -0.717 45.2-112.4 -87.7 140.1 -11.7 -12.3 33.6 21 27 A I E +F 33 0C 0 -10,-1.6 -10,-0.3 -2,-0.3 2,-0.3 -0.574 52.2 156.3 -62.0 128.2 -9.7 -14.5 31.3 22 28 A S E -F 32 0C 20 10,-2.0 10,-2.4 -2,-0.3 2,-0.2 -0.798 33.2-117.4-136.5-172.3 -10.9 -14.0 27.8 23 29 A T E -F 31 0C 4 26,-0.4 8,-0.2 -2,-0.3 3,-0.1 -0.732 16.5-121.1-122.3 173.2 -9.3 -14.4 24.3 24 30 A L S S- 0 0 33 6,-0.9 4,-0.3 -2,-0.2 2,-0.3 -0.024 72.8 -77.2-105.9 28.5 -8.4 -12.1 21.4 25 31 A G - 0 0 7 1,-0.1 -1,-0.2 5,-0.1 374,-0.1 -0.816 56.5 -58.4 125.5-156.1 -10.6 -13.9 18.9 26 32 A L S S+ 0 0 15 372,-0.3 -1,-0.1 -2,-0.3 373,-0.1 0.634 125.7 42.4-107.3 -22.7 -10.8 -17.0 16.8 27 33 A V S S+ 0 0 43 -3,-0.2 2,-0.3 372,-0.1 -2,-0.1 0.875 104.8 68.3 -88.6 -47.3 -7.6 -16.6 14.7 28 34 A D - 0 0 50 -4,-0.3 -4,-0.2 1,-0.1 374,-0.0 -0.563 68.2-157.4 -74.8 134.9 -5.3 -15.4 17.5 29 35 A D + 0 0 72 -2,-0.3 109,-1.3 -6,-0.1 2,-0.3 0.020 49.0 115.9-108.0 27.7 -4.5 -18.1 20.1 30 36 A R B -G 137 0C 51 107,-0.2 -6,-0.9 165,-0.0 2,-0.5 -0.699 55.2-138.7 -96.2 148.2 -3.5 -16.1 23.1 31 37 A A E +F 23 0C 3 105,-0.8 165,-2.0 165,-0.3 -8,-0.2 -0.920 31.0 173.1-102.9 128.6 -5.3 -15.9 26.5 32 38 A V E -FH 22 195C 1 -10,-2.4 -10,-2.0 -2,-0.5 2,-0.4 -0.659 28.2-138.5-124.4 176.9 -5.5 -12.4 28.1 33 39 A V E -FH 21 194C 0 161,-1.3 161,-2.2 -12,-0.2 -12,-0.2 -0.987 10.2-158.2-136.9 130.0 -7.1 -10.6 31.0 34 40 A Q >> - 0 0 52 -14,-0.9 3,-2.0 -2,-0.4 4,-0.5 -0.817 7.5-174.6-114.4 93.4 -8.6 -7.1 30.5 35 41 A P T 34 S+ 0 0 38 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.822 86.4 42.2 -57.3 -38.5 -8.7 -5.4 34.0 36 42 A E T 34 S+ 0 0 185 156,-0.4 3,-0.1 1,-0.2 -17,-0.1 0.387 96.5 81.5 -89.6 4.9 -10.6 -2.3 32.7 37 43 A A T <4 S- 0 0 49 -3,-2.0 8,-0.5 1,-0.3 2,-0.2 0.744 109.7 -45.2 -81.8 -24.8 -13.0 -4.4 30.6 38 44 A G < - 0 0 13 -4,-0.5 -18,-0.4 -3,-0.5 -1,-0.3 -0.709 49.7-142.1 161.1 145.3 -15.3 -5.4 33.4 39 45 A D B > -Q 42 0D 66 3,-0.8 3,-0.6 -2,-0.2 -3,-0.0 -0.608 46.5 -78.8-115.5-177.5 -15.4 -6.6 37.0 40 46 A L T 3 S+ 0 0 41 1,-0.3 238,-0.1 -2,-0.2 -28,-0.0 0.821 131.3 41.4 -50.1 -41.4 -17.6 -9.0 39.0 41 47 A N T 3 S+ 0 0 124 1,-0.2 -1,-0.3 236,-0.1 0, 0.0 0.745 129.6 29.2 -79.7 -24.0 -20.4 -6.5 39.5 42 48 A N B < S-Q 39 0D 105 -3,-0.6 -3,-0.8 236,-0.0 -1,-0.2 -0.537 84.4-162.2-137.6 69.2 -20.1 -5.2 35.9 43 49 A P - 0 0 30 0, 0.0 -4,-0.1 0, 0.0 4,-0.1 0.001 36.3 -79.7 -56.5 156.7 -18.9 -8.0 33.6 44 50 A P > - 0 0 25 0, 0.0 3,-0.7 0, 0.0 -6,-0.2 -0.232 33.1-123.8 -59.5 144.4 -17.4 -7.2 30.2 45 51 A K T 3 S+ 0 0 141 -8,-0.5 2,-1.8 1,-0.3 3,-0.3 0.921 112.2 56.2 -47.2 -51.3 -19.9 -6.5 27.4 46 52 A K T > S+ 0 0 66 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 -0.139 72.8 149.8 -81.1 48.0 -18.3 -9.3 25.2 47 53 A F G X + 0 0 26 -2,-1.8 3,-1.9 -3,-0.7 4,-0.3 0.645 53.7 71.9 -62.8 -22.1 -19.0 -11.7 28.0 48 54 A R G > S+ 0 0 67 -3,-0.3 3,-0.9 1,-0.3 66,-0.4 0.819 92.3 60.6 -64.4 -26.9 -19.5 -14.8 25.9 49 55 A D G < S+ 0 0 16 -3,-1.9 -26,-0.4 1,-0.2 -1,-0.3 0.462 98.4 60.2 -74.7 -1.4 -15.8 -14.8 25.3 50 56 A A G < S+ 0 0 2 -3,-1.9 -39,-0.6 -28,-0.1 2,-0.4 0.534 80.7 105.7-103.7 -8.9 -15.3 -15.2 29.0 51 57 A L E < -C 10 0C 12 -3,-0.9 62,-1.8 -4,-0.3 63,-0.4 -0.595 42.8-176.6 -86.7 128.1 -17.0 -18.6 29.5 52 58 A F E -CI 9 112C 1 -43,-3.5 -43,-3.0 -2,-0.4 2,-0.6 -0.964 20.1-137.4-119.3 138.3 -15.2 -21.9 30.1 53 59 A K E -CI 8 111C 61 58,-2.9 58,-2.4 -2,-0.4 2,-0.5 -0.842 23.3-126.2 -93.4 126.1 -16.8 -25.3 30.4 54 60 A L E + I 0 110C 2 -47,-2.5 -48,-2.7 -2,-0.6 56,-0.2 -0.601 39.1 179.8 -68.3 118.0 -15.3 -27.4 33.2 55 61 A A E - I 0 109C 9 54,-2.7 54,-2.8 -2,-0.5 3,-0.0 -0.797 25.6-106.6-122.4 161.5 -14.2 -30.8 31.6 56 62 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 52,-0.1 -0.176 51.6 -75.8 -79.2-179.2 -12.5 -34.0 32.8 57 63 A M - 0 0 7 50,-0.4 90,-0.1 51,-0.1 50,-0.0 -0.676 52.9-143.8 -82.3 104.6 -8.9 -35.1 32.2 58 64 A N - 0 0 11 -2,-0.8 2,-0.5 85,-0.1 29,-0.1 -0.186 15.2-111.4 -64.4 157.1 -8.7 -36.4 28.5 59 65 A R + 0 0 4 27,-0.3 31,-0.1 1,-0.1 4,-0.1 -0.821 39.0 166.6 -88.6 125.1 -6.6 -39.3 27.3 60 66 A Y > + 0 0 9 -2,-0.5 4,-3.3 2,-0.1 5,-0.2 0.490 48.1 96.9-118.0 -6.9 -3.7 -38.1 25.1 61 67 A S H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 22,-0.1 0.932 89.2 40.3 -48.4 -63.1 -1.5 -41.2 25.0 62 68 A A H > S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 21,-0.3 0.841 118.5 48.7 -58.2 -36.6 -2.8 -42.6 21.6 63 69 A Q H > S+ 0 0 8 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.878 104.7 57.6 -72.0 -40.1 -2.9 -39.1 20.1 64 70 A K H X S+ 0 0 51 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.901 106.2 52.2 -56.2 -42.3 0.6 -38.2 21.3 65 71 A Q H X S+ 0 0 104 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.922 112.1 43.6 -58.3 -50.6 1.8 -41.3 19.3 66 72 A F H < S+ 0 0 51 -4,-1.5 3,-0.3 13,-0.3 -2,-0.2 0.952 113.4 49.9 -63.8 -51.5 0.1 -40.3 16.1 67 73 A W H >< S+ 0 0 111 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.900 110.5 52.5 -51.9 -43.5 1.2 -36.6 16.3 68 74 A K H 3< S+ 0 0 187 -4,-2.3 2,-0.4 -5,-0.3 -1,-0.2 0.863 105.6 54.7 -61.0 -38.6 4.7 -37.8 16.9 69 75 A A T 3< 0 0 41 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.1 -0.218 360.0 360.0 -90.7 43.3 4.5 -40.0 13.8 70 76 A A < 0 0 117 -3,-1.0 -1,-0.1 -2,-0.4 -3,-0.0 -0.782 360.0 360.0-117.6 360.0 3.5 -37.0 11.6 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 85 A D 0 0 114 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.9 5.8 -47.2 7.2 73 86 A A > + 0 0 72 2,-0.1 4,-0.9 3,-0.1 3,-0.4 0.608 360.0 57.4-115.6 -34.4 2.4 -46.1 5.9 74 87 A V H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.771 98.3 66.4 -64.3 -28.9 0.3 -48.9 7.3 75 88 A L H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 94.1 56.7 -59.6 -42.3 1.7 -47.8 10.7 76 89 A L H > S+ 0 0 72 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.884 105.0 51.8 -58.5 -42.5 -0.3 -44.5 10.3 77 90 A N H X S+ 0 0 112 -4,-0.9 4,-2.9 2,-0.2 5,-0.3 0.982 110.1 47.6 -55.6 -60.9 -3.5 -46.4 10.0 78 91 A K H X S+ 0 0 139 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.850 117.4 42.8 -45.1 -46.4 -3.0 -48.4 13.1 79 92 A L H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -13,-0.3 0.817 113.7 50.8 -75.1 -34.2 -2.0 -45.3 15.1 80 93 A H H X S+ 0 0 103 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.846 111.6 47.3 -72.3 -38.3 -4.8 -43.1 13.7 81 94 A H H X S+ 0 0 128 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.845 111.5 52.6 -66.8 -36.4 -7.4 -45.8 14.5 82 95 A A H X S+ 0 0 35 -4,-1.5 4,-1.1 -5,-0.3 -2,-0.2 0.901 112.9 43.9 -63.6 -42.8 -5.8 -46.0 17.9 83 96 A A H X S+ 0 0 7 -4,-2.1 4,-2.2 -21,-0.3 -2,-0.2 0.872 111.5 53.0 -70.5 -40.0 -6.2 -42.2 18.3 84 97 A D H X S+ 0 0 43 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.956 109.7 48.8 -57.4 -51.0 -9.8 -42.2 16.9 85 98 A L H X S+ 0 0 95 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.784 111.3 51.8 -58.9 -31.2 -10.8 -44.9 19.5 86 99 A E H X S+ 0 0 11 -4,-1.1 4,-1.9 2,-0.2 -27,-0.3 0.853 108.2 48.8 -76.8 -37.2 -9.1 -42.7 22.2 87 100 A K H X S+ 0 0 124 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.853 113.3 48.3 -69.6 -33.3 -11.0 -39.5 21.2 88 101 A K H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.904 107.0 56.7 -70.0 -43.3 -14.2 -41.6 21.2 89 102 A Q H X S+ 0 0 44 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.914 108.2 48.0 -49.9 -48.4 -13.3 -43.0 24.6 90 103 A N H X S+ 0 0 7 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.935 110.2 49.8 -61.4 -48.5 -13.0 -39.4 26.0 91 104 A E H X S+ 0 0 50 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.936 118.5 41.4 -55.3 -46.8 -16.4 -38.4 24.5 92 105 A T H X S+ 0 0 79 -4,-2.7 4,-1.3 2,-0.2 3,-0.3 0.965 119.6 40.3 -65.3 -57.7 -18.0 -41.5 26.1 93 106 A E H < S+ 0 0 16 -4,-3.4 3,-0.5 1,-0.2 4,-0.3 0.916 113.8 52.9 -63.4 -45.0 -16.2 -41.5 29.5 94 107 A N H >< S+ 0 0 24 -4,-2.7 3,-0.9 -5,-0.3 -1,-0.2 0.779 102.8 60.4 -60.7 -29.2 -16.4 -37.7 30.0 95 108 A R H >< S+ 0 0 179 -4,-1.0 3,-1.6 -5,-0.4 -1,-0.2 0.913 100.0 54.1 -65.9 -41.3 -20.2 -37.9 29.4 96 109 A K T 3< S+ 0 0 90 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.524 103.7 60.3 -67.4 -7.2 -20.6 -40.3 32.3 97 110 A L T X S+ 0 0 28 -3,-0.9 3,-1.7 -4,-0.3 -92,-0.3 0.461 73.7 125.0-100.1 -0.5 -18.8 -37.6 34.3 98 111 A L T < S+ 0 0 80 -3,-1.6 -92,-0.2 1,-0.3 3,-0.1 -0.401 80.1 9.9 -63.9 121.0 -21.4 -34.8 33.7 99 112 A G T 3 S+ 0 0 2 -94,-3.1 -1,-0.3 1,-0.4 2,-0.2 0.478 89.8 135.2 87.4 1.4 -22.7 -33.4 37.0 100 113 A T < - 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