==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS/HYDROLASE 22-FEB-01 1I4O . COMPND 2 MOLECULE: CASPASE-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.HUANG,Y.C.PARK,R.L.RICH,D.SEGAL,D.G.MYSZKA,H.WU . 501 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 8.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 46 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 2 0 0 0 1 0 3 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 2 2 2 2 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 . 3 4 3 2 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 . 2 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 55 A V 0 0 60 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 59.5 56.5 50.4 7.6 2 56 A P + 0 0 114 0, 0.0 2,-0.3 0, 0.0 417,-0.0 0.338 360.0 157.8 -62.9 176.8 58.5 48.4 8.7 3 57 A T + 0 0 42 -2,-0.2 2,-0.1 0, 0.0 428,-0.1 -0.860 18.6 151.4-156.6 169.9 58.2 48.8 12.5 4 58 A Y + 0 0 151 -2,-0.3 227,-1.5 1,-0.2 0, 0.0 -0.386 13.4 31.1-158.8-129.4 59.2 46.1 14.9 5 59 A Q B -a 231 0A 78 225,-0.2 2,-0.3 -2,-0.1 -1,-0.2 -0.100 52.6-110.4 -70.1 159.3 60.5 44.4 18.1 6 60 A Y - 0 0 10 225,-1.8 227,-0.2 224,-0.1 2,-0.2 -0.684 50.1 -96.0 -84.1 141.4 60.4 45.3 21.8 7 61 A N + 0 0 105 -2,-0.3 -1,-0.1 1,-0.2 229,-0.0 -0.433 44.2 176.6 -61.6 124.6 63.8 46.2 23.2 8 62 A M + 0 0 25 -2,-0.2 2,-1.7 1,-0.1 228,-0.3 0.275 42.6 113.9-112.3 9.5 65.3 43.1 24.7 9 63 A N + 0 0 136 227,-0.1 2,-0.3 72,-0.1 -1,-0.1 -0.567 45.2 116.3 -87.6 79.9 68.6 44.6 25.7 10 64 A F S S- 0 0 63 -2,-1.7 70,-0.1 1,-0.1 69,-0.1 -0.916 76.7-111.8-137.2 160.8 68.4 44.4 29.5 11 65 A E S S+ 0 0 166 -2,-0.3 2,-0.4 68,-0.2 69,-0.2 0.916 106.5 40.6 -59.9 -42.0 70.4 42.5 32.1 12 66 A K E -b 80 0B 94 67,-2.3 69,-1.5 1,-0.2 70,-0.2 -0.883 65.1-149.9-114.4 141.1 67.3 40.4 32.8 13 67 A L E - 0 0 25 38,-0.7 69,-2.2 -2,-0.4 68,-0.8 0.959 69.3 -95.6 -65.9 -48.6 64.8 38.9 30.4 14 68 A G E -bc 82 52B 0 37,-0.6 39,-2.0 67,-0.2 -1,-0.3 -0.877 38.0 -64.1 153.4 174.2 62.3 39.4 33.3 15 69 A K E -bc 83 53B 33 67,-0.6 69,-2.6 -2,-0.3 2,-0.4 -0.600 38.9-159.9 -88.8 150.6 60.6 37.8 36.3 16 70 A C E -bc 84 54B 0 37,-2.4 39,-1.4 -2,-0.2 2,-0.5 -0.984 1.7-160.1-136.1 125.3 58.1 35.0 35.9 17 71 A I E -bc 85 55B 2 67,-2.5 69,-3.8 -2,-0.4 2,-0.6 -0.909 4.4-170.4-106.9 123.4 55.5 34.0 38.4 18 72 A I E -bc 86 56B 0 37,-3.0 39,-2.4 -2,-0.5 2,-0.8 -0.943 3.1-166.4-114.5 111.7 54.1 30.5 38.3 19 73 A I E -bc 87 57B 1 67,-2.5 69,-2.4 -2,-0.6 2,-0.7 -0.867 6.9-169.9 -99.2 110.8 51.1 30.0 40.6 20 74 A N E -bc 88 58B 3 37,-2.5 39,-2.2 -2,-0.8 2,-0.7 -0.849 5.2-177.5-106.1 102.5 50.4 26.2 40.9 21 75 A N + 0 0 2 67,-2.6 3,-0.1 -2,-0.7 76,-0.1 -0.877 20.5 147.6-102.8 114.8 47.1 25.4 42.6 22 76 A K + 0 0 46 -2,-0.7 11,-2.1 1,-0.3 2,-0.4 0.703 62.2 46.8-112.2 -33.5 46.5 21.6 43.0 23 77 A N - 0 0 67 9,-0.2 2,-0.3 10,-0.1 -1,-0.3 -0.949 65.6-168.6-118.1 132.3 44.6 21.3 46.2 24 78 A F - 0 0 24 -2,-0.4 75,-0.1 6,-0.4 76,-0.1 -0.873 31.9 -89.1-121.3 155.6 41.5 23.4 47.2 25 79 A D >> - 0 0 61 74,-1.5 3,-1.3 -2,-0.3 4,-0.7 -0.203 33.7-118.0 -60.7 148.4 39.6 23.8 50.4 26 80 A K G >4 S+ 0 0 203 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.842 109.6 72.0 -54.0 -36.7 36.7 21.5 51.2 27 81 A V G 34 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.1 73,-0.1 0.852 100.1 43.9 -47.9 -42.7 34.4 24.5 51.2 28 82 A T G <4 S- 0 0 29 -3,-1.3 -1,-0.3 71,-0.2 -2,-0.2 0.672 90.2-148.0 -82.2 -18.2 34.7 24.8 47.4 29 83 A G << + 0 0 34 -3,-1.1 -3,-0.1 -4,-0.7 -2,-0.1 0.474 44.8 148.1 64.7 -0.1 34.3 21.1 46.6 30 84 A M - 0 0 27 -5,-0.4 -6,-0.4 1,-0.1 -1,-0.2 -0.395 47.0-112.6 -66.8 141.6 36.6 21.5 43.6 31 85 A G - 0 0 13 450,-3.2 2,-0.2 447,-0.2 -1,-0.1 -0.276 30.5 -87.9 -80.1 163.6 38.8 18.5 42.8 32 86 A V - 0 0 65 1,-0.1 2,-0.9 -9,-0.1 -9,-0.2 -0.453 34.1-134.4 -66.2 134.2 42.5 17.9 43.0 33 87 A R > - 0 0 3 -11,-2.1 3,-2.2 -2,-0.2 4,-0.2 -0.243 28.6-169.5 -89.6 48.6 44.3 18.9 39.8 34 88 A N T 3 S+ 0 0 82 -2,-0.9 137,-0.1 1,-0.3 135,-0.1 -0.023 71.0 31.5 -40.0 129.4 46.5 15.9 39.5 35 89 A G T 3> S+ 0 0 10 134,-0.1 4,-1.3 136,-0.1 -1,-0.3 0.212 86.7 103.0 102.2 -12.9 49.1 16.4 36.8 36 90 A T H <> S+ 0 0 0 -3,-2.2 4,-3.3 1,-0.2 5,-0.2 0.862 76.8 59.0 -70.7 -32.5 49.4 20.1 37.4 37 91 A D H > S+ 0 0 65 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.876 105.5 50.2 -61.6 -33.7 52.6 19.5 39.2 38 92 A K H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.821 110.5 49.8 -72.7 -30.6 53.8 18.0 36.0 39 93 A D H X S+ 0 0 2 -4,-1.3 4,-3.0 2,-0.2 3,-0.3 0.979 111.6 47.3 -68.2 -54.0 52.6 21.1 34.1 40 94 A A H X S+ 0 0 6 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.838 109.9 52.5 -55.0 -39.4 54.4 23.4 36.5 41 95 A E H X S+ 0 0 145 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.883 112.6 46.0 -65.8 -38.5 57.7 21.4 36.4 42 96 A A H X S+ 0 0 24 -4,-1.3 4,-1.9 -3,-0.3 -2,-0.2 0.943 113.4 47.7 -68.8 -49.0 57.6 21.6 32.6 43 97 A L H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.876 107.9 59.4 -59.5 -36.8 56.8 25.3 32.6 44 98 A F H X S+ 0 0 84 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.959 107.9 41.7 -56.9 -55.2 59.5 25.9 35.1 45 99 A K H X S+ 0 0 95 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.834 115.4 51.4 -65.4 -32.7 62.3 24.5 32.9 46 100 A C H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.967 110.9 43.5 -69.2 -56.2 61.0 26.2 29.7 47 101 A F H X>S+ 0 0 2 -4,-2.4 5,-2.8 1,-0.2 4,-1.6 0.767 112.8 55.6 -62.7 -21.6 60.7 29.7 31.0 48 102 A R H <5S+ 0 0 113 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.924 106.1 51.1 -73.3 -45.5 64.1 29.3 32.7 49 103 A S H <5S+ 0 0 73 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.841 107.1 53.8 -57.5 -38.9 65.5 28.3 29.3 50 104 A L H <5S- 0 0 15 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.927 127.3-101.3 -63.3 -43.7 64.0 31.5 27.8 51 105 A G T <5S+ 0 0 25 -4,-1.6 -38,-0.7 1,-0.2 -37,-0.6 0.432 72.1 141.1 134.8 6.8 65.7 33.5 30.5 52 106 A F E < -c 14 0B 0 -5,-2.8 2,-1.2 -39,-0.2 -1,-0.2 -0.433 56.3-123.3 -78.3 152.4 63.0 34.2 33.1 53 107 A D E -c 15 0B 66 -39,-2.0 -37,-2.4 -2,-0.1 2,-0.2 -0.827 41.5-156.1 -94.7 96.9 63.6 34.2 36.8 54 108 A V E +c 16 0B 17 -2,-1.2 2,-0.4 -39,-0.2 -37,-0.2 -0.540 20.4 178.1 -83.4 143.0 61.0 31.6 37.6 55 109 A I E -c 17 0B 61 -39,-1.4 -37,-3.0 -2,-0.2 2,-0.5 -0.988 12.9-155.4-143.2 129.6 59.3 31.2 41.0 56 110 A V E -c 18 0B 56 -2,-0.4 2,-0.5 -39,-0.2 -37,-0.2 -0.936 7.0-170.7-112.6 119.1 56.6 28.7 41.7 57 111 A Y E -c 19 0B 65 -39,-2.4 -37,-2.5 -2,-0.5 3,-0.3 -0.915 18.5-139.1-107.3 134.0 54.2 29.4 44.6 58 112 A N E -c 20 0B 91 -2,-0.5 -37,-0.2 1,-0.2 -39,-0.0 -0.670 61.4 -12.6-101.5 152.3 51.8 26.5 45.6 59 113 A D S S- 0 0 37 -39,-2.2 -1,-0.2 -2,-0.3 -38,-0.2 0.827 79.5-171.7 29.6 66.3 48.2 26.3 46.5 60 114 A C - 0 0 5 -3,-0.3 39,-3.0 39,-0.1 2,-0.2 -0.484 17.1-130.0 -84.4 155.0 47.7 30.1 47.0 61 115 A S > - 0 0 33 37,-0.3 4,-2.8 38,-0.2 5,-0.3 -0.470 33.9 -98.8 -93.4 171.5 44.6 31.7 48.4 62 116 A C H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.883 126.3 46.8 -59.5 -38.8 42.8 34.5 46.7 63 117 A A H > S+ 0 0 66 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.901 111.4 51.4 -68.8 -42.5 44.5 37.0 49.0 64 118 A K H > S+ 0 0 86 2,-0.2 4,-4.2 1,-0.2 5,-0.2 0.977 112.6 44.9 -57.2 -58.8 47.9 35.4 48.5 65 119 A M H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.899 115.8 47.7 -52.8 -46.4 47.6 35.5 44.7 66 120 A Q H X S+ 0 0 48 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.926 117.8 40.9 -61.8 -45.5 46.3 39.1 44.8 67 121 A D H X S+ 0 0 61 -4,-3.3 4,-2.5 2,-0.2 5,-0.3 0.898 110.4 59.0 -69.8 -40.8 49.1 40.2 47.2 68 122 A L H X S+ 0 0 18 -4,-4.2 4,-1.6 -5,-0.3 -2,-0.2 0.932 112.6 38.4 -54.3 -50.3 51.7 38.1 45.3 69 123 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.771 110.3 61.9 -74.4 -25.6 51.0 40.0 42.0 70 124 A K H < S+ 0 0 99 -4,-1.4 4,-0.4 -5,-0.2 -2,-0.2 0.960 107.5 42.9 -64.6 -48.3 50.6 43.3 43.9 71 125 A K H >X S+ 0 0 109 -4,-2.5 3,-1.8 1,-0.2 4,-1.1 0.906 107.7 60.4 -63.6 -41.9 54.2 43.2 45.1 72 126 A A H >< S+ 0 0 2 -4,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.908 105.1 48.5 -51.7 -45.3 55.5 42.1 41.8 73 127 A S T 3< S+ 0 0 10 -4,-1.8 -1,-0.3 1,-0.2 46,-0.2 0.589 109.2 55.6 -72.0 -10.5 54.2 45.3 40.2 74 128 A E T <4 S+ 0 0 129 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.568 88.3 94.0 -96.6 -14.0 55.8 47.2 43.1 75 129 A E S << S- 0 0 81 -4,-1.1 2,-0.7 -3,-1.0 44,-0.2 -0.255 90.7 -98.5 -71.3 167.3 59.3 45.7 42.4 76 130 A D + 0 0 106 1,-0.1 3,-0.3 42,-0.1 -1,-0.1 -0.828 40.4 175.7 -94.2 117.3 61.7 47.7 40.2 77 131 A H > + 0 0 6 -2,-0.7 3,-3.1 1,-0.2 -1,-0.1 0.330 43.1 114.5-103.0 6.7 61.6 46.3 36.6 78 132 A T T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -68,-0.0 -2,-0.0 0.842 82.4 44.5 -45.7 -42.0 63.9 48.9 35.0 79 133 A N T 3 S+ 0 0 82 -3,-0.3 -67,-2.3 -69,-0.1 2,-0.3 0.373 101.4 91.7 -88.4 9.4 66.6 46.3 34.3 80 134 A A E < -b 12 0B 3 -3,-3.1 -67,-0.2 39,-0.2 -66,-0.2 -0.782 61.4-155.3-104.8 146.0 63.9 43.8 33.0 81 135 A A E S- 0 0 1 -69,-1.5 2,-0.3 -68,-0.8 -67,-0.2 0.830 75.0 -19.0 -85.4 -35.7 62.8 43.4 29.4 82 136 A C E -b 14 0B 0 -69,-2.2 -67,-0.6 -70,-0.2 2,-0.3 -0.916 59.0-122.2-157.5-179.9 59.4 42.0 30.3 83 137 A F E -bd 15 125B 0 41,-1.7 43,-3.1 -2,-0.3 2,-0.4 -0.989 21.2-166.8-135.0 143.9 57.3 40.3 33.0 84 138 A A E -bd 16 126B 0 -69,-2.6 -67,-2.5 -2,-0.3 2,-0.4 -0.988 8.0-175.5-137.7 144.8 55.4 36.9 32.9 85 139 A C E -bd 17 127B 0 41,-2.5 43,-3.1 -2,-0.4 2,-0.5 -0.999 7.4-162.6-137.8 131.8 52.8 35.2 35.0 86 140 A I E -bd 18 128B 3 -69,-3.8 -67,-2.5 -2,-0.4 2,-0.5 -0.964 7.5-159.6-119.5 115.4 51.5 31.7 34.6 87 141 A L E -bd 19 129B 4 41,-3.2 43,-3.3 -2,-0.5 2,-0.5 -0.841 9.1-177.6 -99.3 122.7 48.3 30.8 36.3 88 142 A L E +bd 20 130B 1 -69,-2.4 -67,-2.6 -2,-0.5 2,-0.3 -0.928 38.6 90.1-119.6 106.0 47.5 27.1 36.9 89 143 A S S S- 0 0 4 41,-2.3 43,-0.3 -2,-0.5 2,-0.2 -0.956 75.5 -68.2-171.3-175.1 44.1 26.4 38.5 90 144 A H + 0 0 7 -2,-0.3 7,-3.8 41,-0.2 2,-0.3 -0.605 59.7 166.1 -86.3 159.3 40.4 25.8 38.2 91 145 A G E -M 96 0C 7 5,-0.3 43,-0.5 -2,-0.2 2,-0.3 -0.990 34.0-141.3-166.2 171.6 38.5 28.7 36.9 92 146 A E E > -M 95 0C 92 3,-1.4 3,-3.6 -2,-0.3 41,-0.2 -0.981 60.5 -61.8-140.0 144.4 35.3 30.1 35.4 93 147 A E T 3 S+ 0 0 90 -2,-0.3 40,-0.1 1,-0.3 3,-0.1 0.081 128.5 5.5 -28.9 124.6 35.0 32.8 32.7 94 148 A N T 3 S+ 0 0 111 1,-0.1 11,-1.5 10,-0.1 12,-0.5 0.453 124.9 83.6 72.7 3.5 36.7 36.0 34.0 95 149 A V E < -MN 92 104C 25 -3,-3.6 -3,-1.4 9,-0.3 2,-0.4 -0.973 54.9-162.7-142.3 151.6 37.8 34.1 37.1 96 150 A I E -MN 91 103C 2 7,-2.5 7,-1.8 -2,-0.3 -5,-0.3 -0.987 28.8-117.8-129.1 140.8 40.5 31.7 38.6 97 151 A Y E - 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