==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 23-OCT-01 1K88 . COMPND 2 MOLECULE: PROCASPASE-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.CHAI,Q.WU,E.SHIOZAKI,S.M.SRINIVASA,E.S.ALNEMRI,Y.SHI . 461 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 0 0 0 0 1 1 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 2 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 1 0 0 0 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 56 A P > 0 0 119 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -86.9 74.2 31.2 16.0 2 57 A T T 3 + 0 0 104 1,-0.2 4,-0.1 220,-0.0 3,-0.0 0.280 360.0 70.9 -83.5 9.9 75.1 27.8 14.5 3 58 A Y T 3 S+ 0 0 97 219,-0.1 220,-3.3 2,-0.1 2,-0.3 0.423 94.7 56.4-103.7 -4.5 71.4 27.3 15.4 4 59 A Q B < S-a 223 0A 68 -3,-1.2 220,-0.2 218,-0.3 2,-0.1 -0.937 92.5 -98.0-129.8 151.6 70.1 29.5 12.6 5 60 A Y - 0 0 18 218,-2.6 2,-0.8 -2,-0.3 220,-0.2 -0.419 45.6-106.9 -65.7 139.9 70.6 29.6 8.9 6 61 A N + 0 0 100 1,-0.2 -1,-0.1 -2,-0.1 222,-0.1 -0.575 37.0 179.9 -71.9 105.5 73.2 32.1 7.7 7 62 A M + 0 0 25 -2,-0.8 2,-1.7 220,-0.2 -1,-0.2 0.311 42.8 120.1 -90.8 11.6 71.3 35.0 6.1 8 63 A N + 0 0 132 72,-0.1 2,-0.3 71,-0.1 -1,-0.1 -0.555 42.9 106.5 -81.1 79.8 74.5 36.9 5.3 9 64 A F S S- 0 0 64 -2,-1.7 70,-0.1 1,-0.1 69,-0.1 -0.905 80.7-101.7-145.1 169.9 74.3 37.2 1.5 10 65 A E S S+ 0 0 150 -2,-0.3 2,-0.3 68,-0.1 69,-0.1 0.945 104.8 25.1 -61.6 -49.7 73.6 39.9 -1.0 11 66 A K B -b 79 0B 95 67,-2.1 69,-0.8 1,-0.1 70,-0.1 -0.799 67.2-134.4-118.0 159.8 70.0 38.8 -1.6 12 67 A L - 0 0 20 38,-0.8 69,-1.5 -2,-0.3 68,-0.8 0.910 68.4-111.5 -71.6 -45.2 67.4 36.9 0.4 13 68 A G - 0 0 2 37,-0.5 39,-2.7 66,-0.2 -1,-0.3 -0.810 38.0 -40.2 140.8-179.8 66.8 34.9 -2.8 14 69 A K E -c 52 0C 32 67,-0.4 69,-1.6 -2,-0.2 2,-0.3 -0.436 40.2-167.9 -77.4 149.2 64.4 34.1 -5.6 15 70 A C E -cd 53 83C 0 37,-1.9 39,-2.0 67,-0.2 2,-0.4 -0.855 4.5-163.7-142.6 103.8 60.7 33.7 -5.0 16 71 A I E -cd 54 84C 1 67,-1.8 69,-2.7 -2,-0.3 2,-0.5 -0.730 1.6-163.4 -89.2 134.7 58.6 32.2 -7.8 17 72 A I E -cd 55 85C 0 37,-2.4 39,-3.1 -2,-0.4 2,-0.7 -0.929 1.6-164.2-123.4 107.2 54.9 32.6 -7.6 18 73 A I E -cd 56 86C 1 67,-2.6 69,-2.1 -2,-0.5 2,-0.6 -0.813 7.9-174.2 -89.8 116.8 52.8 30.4 -9.8 19 74 A N E -cd 57 87C 1 37,-3.7 39,-2.0 -2,-0.7 2,-0.9 -0.782 3.3-178.6-116.7 87.0 49.3 31.8 -10.0 20 75 A N + 0 0 2 67,-2.1 3,-0.1 -2,-0.6 37,-0.1 -0.760 20.5 147.0 -91.1 103.3 47.0 29.4 -11.9 21 76 A K + 0 0 49 -2,-0.9 11,-1.9 1,-0.2 2,-0.4 0.789 59.2 46.3-101.7 -41.0 43.5 31.0 -12.2 22 77 A N - 0 0 72 9,-0.2 2,-0.3 10,-0.1 -1,-0.2 -0.864 67.1-164.0-109.9 142.7 42.1 29.9 -15.5 23 78 A F - 0 0 25 -2,-0.4 76,-0.2 6,-0.3 75,-0.1 -0.937 25.4-104.8-128.1 150.1 42.2 26.3 -16.8 24 79 A D > > - 0 0 63 74,-3.5 3,-1.2 -2,-0.3 5,-0.6 -0.296 35.1-116.0 -64.1 153.6 41.6 24.7 -20.2 25 80 A K G > 5S+ 0 0 195 1,-0.3 3,-3.2 2,-0.2 -1,-0.1 0.904 107.6 75.5 -58.4 -42.5 38.3 22.9 -20.7 26 81 A V G 3 5S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.1 73,-0.1 0.394 94.1 52.6 -52.6 2.2 40.1 19.5 -21.1 27 82 A T G < 5S- 0 0 24 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.473 98.7-135.2-115.8 -10.0 40.7 19.5 -17.3 28 83 A G T < 5 + 0 0 68 -3,-3.2 2,-0.3 -4,-0.3 -3,-0.1 0.874 59.0 133.9 56.0 40.1 37.1 20.1 -16.2 29 84 A M < - 0 0 35 -5,-0.6 -6,-0.3 69,-0.1 2,-0.2 -0.902 45.6-131.7-121.7 150.8 38.2 22.6 -13.7 30 85 A G - 0 0 46 -2,-0.3 -6,-0.1 1,-0.1 -5,-0.0 -0.660 32.4 -75.7-107.5 160.8 36.9 26.1 -12.9 31 86 A V - 0 0 72 -2,-0.2 2,-1.0 1,-0.1 -9,-0.2 -0.063 34.0-138.1 -47.1 137.8 38.2 29.6 -12.4 32 87 A R > - 0 0 28 -11,-1.9 3,-1.6 57,-0.0 4,-0.2 -0.696 25.7-165.4-101.9 78.3 39.9 30.3 -9.1 33 88 A N T 3 S+ 0 0 97 -2,-1.0 129,-0.1 1,-0.2 128,-0.0 -0.355 72.1 30.4 -64.0 143.6 38.4 33.8 -8.3 34 89 A G T 3> S+ 0 0 11 127,-0.1 4,-1.9 129,-0.1 -1,-0.2 0.317 85.9 106.0 90.0 -9.8 40.2 35.6 -5.6 35 90 A T H <> S+ 0 0 1 -3,-1.6 4,-2.8 1,-0.2 -2,-0.1 0.667 76.6 58.5 -75.1 -16.4 43.6 34.0 -6.4 36 91 A D H > S+ 0 0 82 2,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.821 104.5 50.3 -78.4 -32.8 44.6 37.3 -7.9 37 92 A K H > S+ 0 0 121 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.929 114.1 45.8 -66.7 -45.4 44.0 38.8 -4.5 38 93 A D H X S+ 0 0 7 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.972 111.0 51.4 -59.1 -57.9 46.1 36.1 -3.0 39 94 A A H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.884 114.2 42.8 -49.9 -47.1 48.9 36.4 -5.6 40 95 A E H X S+ 0 0 136 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.952 112.7 52.1 -67.5 -46.2 49.2 40.1 -5.1 41 96 A A H X S+ 0 0 33 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.940 113.4 46.2 -51.4 -48.1 49.0 39.9 -1.3 42 97 A L H X S+ 0 0 3 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.837 110.5 54.1 -62.5 -39.8 51.8 37.3 -1.5 43 98 A F H X S+ 0 0 77 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.960 111.4 40.6 -61.9 -57.1 53.9 39.4 -3.9 44 99 A K H X S+ 0 0 127 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.814 118.3 52.3 -64.6 -27.0 54.0 42.6 -1.9 45 100 A C H X S+ 0 0 0 -4,-1.5 4,-1.3 -5,-0.4 -2,-0.2 0.981 115.5 35.2 -72.2 -59.6 54.5 40.5 1.2 46 101 A F H X>S+ 0 0 1 -4,-3.1 5,-2.3 2,-0.2 4,-1.4 0.840 116.6 55.7 -64.4 -33.9 57.4 38.3 0.1 47 102 A R H ><5S+ 0 0 121 -4,-2.8 3,-0.5 -5,-0.3 -1,-0.2 0.944 107.7 50.4 -62.3 -46.0 58.8 41.3 -1.8 48 103 A S H 3<5S+ 0 0 58 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.767 103.2 58.0 -63.7 -28.1 58.8 43.2 1.4 49 104 A L H 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -5,-0.0 -2,-0.2 0.853 129.4 -98.2 -69.3 -32.1 60.5 40.4 3.3 50 105 A G T <<5S+ 0 0 28 -4,-1.4 -38,-0.8 -3,-0.5 -37,-0.5 0.466 75.7 138.6 128.9 6.6 63.3 40.8 0.7 51 106 A F < - 0 0 0 -5,-2.3 2,-1.2 -39,-0.2 -1,-0.2 -0.417 59.1-119.8 -80.2 156.8 62.7 38.2 -2.0 52 107 A D E -c 14 0C 65 -39,-2.7 -37,-1.9 -2,-0.1 2,-0.4 -0.817 43.8-160.6 -96.0 93.3 63.1 38.8 -5.7 53 108 A V E +c 15 0C 16 -2,-1.2 2,-0.4 -39,-0.2 -37,-0.2 -0.652 20.5 176.0 -86.8 130.0 59.5 38.0 -6.5 54 109 A I E -c 16 0C 68 -39,-2.0 -37,-2.4 -2,-0.4 2,-0.4 -0.999 15.8-151.7-131.7 128.4 58.4 37.0 -10.0 55 110 A V E -c 17 0C 46 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.851 8.1-168.8-106.6 136.8 54.8 35.9 -10.7 56 111 A Y E -c 18 0C 52 -39,-3.1 -37,-3.7 -2,-0.4 2,-0.3 -0.984 13.0-148.9-124.0 132.4 53.7 33.6 -13.5 57 112 A N E -c 19 0C 93 -2,-0.4 -37,-0.3 1,-0.2 -39,-0.0 -0.739 61.7 -6.5-110.7 153.6 50.0 33.1 -14.4 58 113 A D S S- 0 0 43 -39,-2.0 -1,-0.2 -2,-0.3 -38,-0.2 0.854 81.5-171.8 33.3 62.0 47.9 30.3 -15.8 59 114 A C - 0 0 3 -3,-0.3 39,-2.6 1,-0.1 40,-0.2 -0.466 19.5-126.9 -80.3 151.3 50.9 28.1 -16.4 60 115 A S > - 0 0 30 37,-0.3 4,-2.7 38,-0.2 5,-0.3 -0.487 30.9-106.6 -88.9 164.6 50.8 24.8 -18.2 61 116 A C H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.903 126.5 50.8 -59.7 -37.1 52.2 21.7 -16.6 62 117 A A H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 109.6 50.7 -63.8 -44.5 55.1 22.0 -19.0 63 118 A K H > S+ 0 0 94 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.926 110.7 46.6 -58.5 -51.8 55.5 25.7 -18.1 64 119 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.885 113.3 50.8 -60.6 -40.8 55.6 25.1 -14.3 65 120 A Q H X S+ 0 0 48 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.977 115.9 38.9 -62.1 -54.4 58.1 22.2 -14.8 66 121 A D H X S+ 0 0 61 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.929 111.4 60.3 -60.5 -46.9 60.5 24.2 -16.9 67 122 A L H X S+ 0 0 15 -4,-3.4 4,-1.8 1,-0.3 -1,-0.2 0.931 114.2 34.7 -45.1 -57.3 60.0 27.3 -14.8 68 123 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.793 113.1 59.8 -72.9 -27.8 61.3 25.5 -11.7 69 124 A K H X S+ 0 0 91 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.942 109.1 44.4 -64.7 -44.1 63.8 23.5 -13.7 70 125 A K H X S+ 0 0 114 -4,-3.3 4,-0.9 2,-0.2 -2,-0.2 0.913 109.5 55.9 -65.0 -43.3 65.5 26.7 -14.8 71 126 A A H >< S+ 0 0 1 -4,-1.8 3,-1.5 -5,-0.3 -1,-0.2 0.941 107.3 49.2 -53.9 -50.5 65.3 28.3 -11.4 72 127 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.852 108.2 55.9 -58.4 -34.7 67.2 25.3 -9.9 73 128 A E H 3< S+ 0 0 123 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.625 90.1 94.8 -75.1 -13.8 69.7 25.7 -12.7 74 129 A E S << S- 0 0 84 -3,-1.5 2,-0.7 -4,-0.9 44,-0.2 -0.108 88.3 -96.2 -69.2 174.4 70.5 29.3 -11.8 75 130 A D + 0 0 102 1,-0.1 3,-0.4 43,-0.1 -1,-0.1 -0.861 37.0 177.5-101.5 113.2 73.4 30.3 -9.5 76 131 A H > + 0 0 8 -2,-0.7 3,-1.7 1,-0.2 -1,-0.1 0.022 42.3 118.9-102.4 28.2 72.4 30.8 -5.9 77 132 A T T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -68,-0.0 -2,-0.0 0.848 84.8 40.1 -61.2 -35.1 75.8 31.6 -4.5 78 133 A N T 3 S+ 0 0 67 -3,-0.4 -67,-2.1 -69,-0.1 2,-0.4 0.181 100.5 98.9 -99.4 16.9 74.7 35.0 -3.4 79 134 A A B < -b 11 0B 4 -3,-1.7 -66,-0.2 -69,-0.1 -67,-0.2 -0.831 57.4-158.8-106.6 142.4 71.3 33.7 -2.2 80 135 A A S S- 0 0 4 -69,-0.8 2,-0.3 -68,-0.8 -67,-0.2 0.728 75.0 -29.1 -87.0 -26.6 70.4 32.9 1.4 81 136 A C - 0 0 0 -69,-1.5 -67,-0.4 41,-0.2 2,-0.3 -0.937 59.8-115.6-170.2-176.1 67.5 30.6 0.4 82 137 A F E - e 0 124C 0 41,-2.3 43,-3.6 -2,-0.3 2,-0.3 -0.962 19.7-165.4-137.6 152.8 64.9 29.9 -2.2 83 138 A A E -de 15 125C 0 -69,-1.6 -67,-1.8 -2,-0.3 2,-0.4 -0.951 7.0-173.1-150.5 127.8 61.1 30.0 -2.2 84 139 A C E -de 16 126C 0 41,-3.2 43,-2.7 -2,-0.3 2,-0.5 -0.955 8.2-165.8-118.0 134.6 58.3 28.7 -4.5 85 140 A I E -de 17 127C 3 -69,-2.7 -67,-2.6 -2,-0.4 2,-0.5 -0.985 4.1-163.2-124.0 125.6 54.7 29.5 -3.9 86 141 A L E -de 18 128C 4 41,-2.8 43,-1.9 -2,-0.5 2,-0.5 -0.930 9.0-177.9-115.5 128.8 51.9 27.6 -5.7 87 142 A L E +de 19 129C 2 -69,-2.1 -67,-2.1 -2,-0.5 2,-0.3 -0.991 42.5 78.5-122.1 122.7 48.3 28.8 -6.0 88 143 A S S S- 0 0 3 41,-2.5 2,-0.4 -2,-0.5 9,-0.1 -0.958 78.2 -46.7 175.7-159.6 45.9 26.4 -7.8 89 144 A H + 0 0 14 -2,-0.3 7,-3.0 41,-0.2 2,-0.3 -0.835 53.7 174.8-102.1 143.4 43.8 23.2 -7.7 90 145 A G B -N 95 0D 0 41,-2.5 5,-0.2 -2,-0.4 3,-0.1 -0.903 25.9-178.7-143.1 169.3 45.2 20.1 -6.2 91 146 A E - 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