==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-OCT-12 4HQ0 . COMPND 2 MOLECULE: CASPASE-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.LEE,H.J.KANG,K.-H.BAE,S.J.KIM,S.J.CHUNG . 427 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.3 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 . 1 0.2 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-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 . 44 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 5 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 2 0 4 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 . 0 3 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 . 1 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 57 A T 0 0 152 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.8 -29.5 49.4 15.1 2 58 A Y + 0 0 99 204,-0.1 205,-2.9 2,-0.1 2,-0.3 0.106 360.0 76.6-100.0 17.4 -25.9 50.6 15.5 3 59 A Q B S-a 207 0A 70 203,-0.3 2,-0.5 205,-0.0 205,-0.2 -0.909 87.1-104.0-131.2 156.7 -24.7 48.3 12.7 4 60 A Y - 0 0 12 203,-2.5 2,-0.6 -2,-0.3 205,-0.3 -0.676 45.9-113.4 -78.3 126.7 -24.8 48.2 8.9 5 61 A N + 0 0 95 -2,-0.5 -1,-0.1 1,-0.2 207,-0.1 -0.460 36.1 178.4 -63.1 109.4 -27.4 45.7 7.8 6 62 A M + 0 0 22 -2,-0.6 2,-2.5 205,-0.2 -1,-0.2 0.431 44.0 117.5 -94.6 3.0 -25.6 42.8 6.2 7 63 A N + 0 0 141 72,-0.1 2,-0.3 204,-0.1 -1,-0.1 -0.435 48.2 120.4 -72.3 76.3 -28.7 40.8 5.6 8 64 A F S S- 0 0 63 -2,-2.5 69,-0.1 1,-0.1 70,-0.1 -0.928 74.8-112.6-137.6 160.0 -28.4 40.9 1.8 9 65 A E S S+ 0 0 143 -2,-0.3 2,-0.3 67,-0.1 69,-0.2 0.981 103.7 25.3 -55.1 -62.6 -28.1 38.4 -1.1 10 66 A K E -b 78 0B 87 67,-2.9 69,-1.2 1,-0.1 3,-0.1 -0.692 69.7-137.4-103.2 156.1 -24.6 39.5 -2.0 11 67 A L E - 0 0 26 38,-0.8 69,-1.4 1,-0.3 2,-0.2 0.886 66.2 -99.0 -75.2 -38.9 -21.9 41.1 0.3 12 68 A G E -b 80 0B 0 37,-0.4 39,-2.5 67,-0.2 -1,-0.3 -0.803 39.1 -58.9 143.8 176.0 -21.1 43.4 -2.6 13 69 A K E -bc 81 51B 37 67,-0.7 69,-2.7 -2,-0.2 2,-0.4 -0.614 36.4-161.9 -90.2 148.5 -18.7 44.0 -5.5 14 70 A C E -bc 82 52B 0 37,-1.9 39,-2.1 -2,-0.2 2,-0.5 -0.843 2.0-165.4-136.1 100.2 -15.0 44.5 -5.0 15 71 A I E -bc 83 53B 4 67,-1.9 69,-3.1 -2,-0.4 2,-0.6 -0.710 3.4-166.7 -85.0 128.5 -13.1 46.1 -7.8 16 72 A I E -bc 84 54B 0 37,-2.5 39,-2.5 -2,-0.5 2,-0.6 -0.871 1.2-165.7-118.4 97.0 -9.3 45.7 -7.4 17 73 A I E -bc 85 55B 1 67,-2.4 69,-2.0 -2,-0.6 2,-0.5 -0.732 7.5-173.6 -83.6 121.2 -7.4 48.0 -9.7 18 74 A N E -bc 86 56B 2 37,-3.7 39,-1.5 -2,-0.6 2,-0.6 -0.764 3.1-174.5-120.8 85.1 -3.8 46.7 -9.8 19 75 A N + 0 0 2 67,-1.9 3,-0.1 -2,-0.5 37,-0.1 -0.702 21.3 148.1 -83.8 120.3 -1.5 49.0 -11.8 20 76 A K + 0 0 45 -2,-0.6 11,-1.5 1,-0.2 2,-0.6 0.700 61.1 47.7-118.5 -39.3 2.0 47.6 -12.1 21 77 A N - 0 0 73 9,-0.2 2,-0.4 10,-0.1 -1,-0.2 -0.915 69.0-168.0-113.8 106.7 3.5 48.7 -15.4 22 78 A F - 0 0 15 -2,-0.6 4,-0.2 6,-0.6 6,-0.2 -0.803 34.3 -98.5 -98.6 132.8 3.1 52.5 -16.0 23 79 A D > - 0 0 36 74,-1.9 3,-1.5 -2,-0.4 4,-0.4 -0.210 32.2-123.2 -49.3 125.9 3.8 54.0 -19.4 24 80 A K G > S+ 0 0 157 1,-0.3 3,-2.3 2,-0.2 2,-0.2 0.816 105.9 75.5 -35.8 -49.2 7.3 55.4 -19.4 25 81 A V G 3 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.358 94.6 54.8 -54.5 11.0 5.9 58.9 -20.4 26 82 A T G < S- 0 0 30 -3,-1.5 -1,-0.3 -2,-0.2 -2,-0.2 0.618 104.3-128.8-113.9 -30.3 4.8 59.1 -16.8 27 83 A G < + 0 0 63 -3,-2.3 2,-0.5 -4,-0.4 -3,-0.1 0.780 65.4 124.0 84.2 30.2 8.2 58.5 -15.1 28 84 A M - 0 0 21 -5,-0.3 -6,-0.6 -6,-0.2 -1,-0.2 -0.923 49.5-143.8-128.8 108.1 7.0 55.7 -12.8 29 85 A G - 0 0 56 -2,-0.5 -6,-0.0 1,-0.1 -7,-0.0 0.028 38.9 -64.6 -63.2 171.1 8.7 52.3 -12.8 30 86 A V - 0 0 64 1,-0.1 2,-0.5 -9,-0.1 -9,-0.2 -0.127 38.5-133.9 -55.2 150.6 7.2 48.9 -12.3 31 87 A R > - 0 0 7 -11,-1.5 3,-3.0 -3,-0.1 4,-0.3 -0.453 24.6-164.6-107.1 57.8 5.7 48.0 -8.9 32 88 A N T 3 S+ 0 0 92 -2,-0.5 121,-0.3 1,-0.3 125,-0.2 -0.194 76.5 33.9 -46.9 111.6 7.2 44.6 -8.5 33 89 A G T >> S+ 0 0 7 122,-0.1 4,-2.9 123,-0.1 3,-0.9 -0.073 84.1 98.2 129.7 -32.3 5.2 43.1 -5.7 34 90 A T H <> S+ 0 0 0 -3,-3.0 4,-2.8 1,-0.3 5,-0.2 0.768 83.6 59.0 -57.1 -23.2 1.8 44.6 -6.4 35 91 A D H 3> S+ 0 0 79 -4,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.878 107.8 44.9 -72.1 -37.3 1.2 41.2 -8.1 36 92 A K H <> S+ 0 0 96 -3,-0.9 4,-1.9 118,-0.2 -2,-0.2 0.929 115.3 47.0 -68.8 -47.7 1.9 39.6 -4.8 37 93 A D H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.975 112.0 51.1 -56.7 -57.1 -0.3 42.1 -2.9 38 94 A A H X S+ 0 0 5 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.884 108.8 47.7 -48.3 -54.4 -3.1 41.8 -5.4 39 95 A E H X S+ 0 0 119 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.919 113.4 51.0 -56.4 -41.9 -3.4 38.0 -5.3 40 96 A A H X S+ 0 0 37 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.935 112.8 45.0 -58.2 -49.5 -3.3 38.3 -1.5 41 97 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.889 108.8 57.2 -62.5 -42.9 -6.1 40.9 -1.6 42 98 A F H X S+ 0 0 73 -4,-3.4 4,-2.3 -5,-0.2 5,-0.2 0.947 113.2 39.1 -54.9 -52.5 -8.1 38.9 -4.1 43 99 A K H X S+ 0 0 116 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.976 114.5 52.9 -60.5 -59.4 -8.2 35.8 -1.9 44 100 A C H X S+ 0 0 9 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.876 117.6 36.8 -43.3 -52.0 -8.7 37.8 1.4 45 101 A F H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.9 0.839 114.5 53.2 -74.5 -35.8 -11.7 39.7 0.0 46 102 A R H <5S+ 0 0 113 -4,-2.3 3,-0.5 -5,-0.4 -2,-0.2 0.885 108.8 54.9 -64.0 -35.6 -13.1 36.8 -2.0 47 103 A S H <5S+ 0 0 84 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.729 102.0 54.7 -68.2 -26.6 -12.9 35.0 1.4 48 104 A L H <5S- 0 0 14 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.713 130.1 -96.6 -79.6 -20.9 -14.9 37.7 3.1 49 105 A G T <5S+ 0 0 27 -4,-0.9 -38,-0.8 -3,-0.5 -37,-0.4 0.602 73.6 147.0 114.5 19.5 -17.6 37.1 0.5 50 106 A F < - 0 0 0 -5,-2.4 2,-1.6 -39,-0.2 -1,-0.3 -0.624 53.6-129.6 -88.3 144.9 -16.9 39.8 -2.1 51 107 A D E -c 13 0B 69 -39,-2.5 -37,-1.9 -2,-0.3 2,-0.3 -0.733 46.4-170.5 -90.4 85.1 -17.5 39.3 -5.8 52 108 A V E -c 14 0B 11 -2,-1.6 2,-0.4 -39,-0.2 -37,-0.2 -0.622 18.7-174.9 -89.2 138.9 -14.0 40.5 -6.5 53 109 A I E -c 15 0B 71 -39,-2.1 -37,-2.5 -2,-0.3 2,-0.5 -0.989 15.2-142.9-134.6 125.1 -12.6 41.3 -10.0 54 110 A V E -c 16 0B 47 -2,-0.4 2,-0.5 -39,-0.2 -37,-0.2 -0.757 11.7-169.4 -94.5 127.1 -9.0 42.3 -10.7 55 111 A Y E -c 17 0B 54 -39,-2.5 -37,-3.7 -2,-0.5 3,-0.3 -0.956 12.9-152.1-115.5 120.9 -8.1 44.9 -13.3 56 112 A N E -c 18 0B 94 -2,-0.5 -37,-0.3 1,-0.2 -39,-0.0 -0.580 63.0 -6.5 -96.3 156.7 -4.4 45.3 -14.3 57 113 A D S S- 0 0 42 -39,-1.5 2,-0.2 -2,-0.2 -1,-0.2 0.779 80.9-174.2 27.3 59.5 -2.4 48.3 -15.6 58 114 A C - 0 0 2 -3,-0.3 39,-0.8 38,-0.1 40,-0.2 -0.543 17.4-134.3 -80.9 142.1 -5.5 50.5 -16.0 59 115 A S > - 0 0 23 37,-0.3 4,-3.0 -2,-0.2 5,-0.3 -0.352 34.7 -98.5 -84.9 172.8 -5.3 53.9 -17.6 60 116 A C H > S+ 0 0 22 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.738 129.6 50.8 -64.9 -19.4 -7.0 57.0 -16.1 61 117 A A H > S+ 0 0 66 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.925 110.8 44.6 -80.5 -50.0 -9.7 56.2 -18.6 62 118 A K H > S+ 0 0 99 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.931 115.8 48.8 -58.9 -48.4 -10.1 52.6 -17.8 63 119 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.860 114.5 44.6 -60.7 -40.7 -10.0 53.3 -14.0 64 120 A Q H X S+ 0 0 44 -4,-1.1 4,-2.7 -5,-0.3 -1,-0.2 0.899 115.6 46.8 -72.0 -41.1 -12.6 56.1 -14.4 65 121 A D H X S+ 0 0 77 -4,-3.0 4,-4.4 2,-0.2 5,-0.3 0.951 111.0 53.4 -64.1 -50.1 -14.8 54.0 -16.7 66 122 A L H X S+ 0 0 19 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.958 115.0 38.7 -47.5 -63.6 -14.6 51.0 -14.3 67 123 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.918 117.6 52.4 -56.8 -42.8 -15.7 52.9 -11.3 68 124 A K H X S+ 0 0 69 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.967 112.1 43.9 -56.4 -56.4 -18.2 54.8 -13.4 69 125 A K H X S+ 0 0 94 -4,-4.4 4,-1.0 1,-0.2 -2,-0.2 0.917 112.9 52.3 -55.5 -48.1 -19.7 51.6 -14.8 70 126 A A H >< S+ 0 0 1 -4,-2.9 3,-1.2 -5,-0.3 -1,-0.2 0.928 106.1 52.2 -56.2 -49.8 -19.8 49.9 -11.4 71 127 A S H 3< S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 46,-0.2 0.890 106.7 56.8 -54.5 -38.1 -21.6 52.8 -9.7 72 128 A E H 3< S+ 0 0 115 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.745 89.0 96.1 -66.3 -26.0 -24.1 52.5 -12.5 73 129 A E S << S- 0 0 80 -3,-1.2 2,-0.7 -4,-1.0 44,-0.2 -0.014 88.6 -98.9 -58.0 169.1 -24.8 48.8 -11.7 74 130 A D + 0 0 110 1,-0.1 3,-0.3 43,-0.1 -1,-0.1 -0.862 37.2 178.4 -97.8 115.8 -27.8 47.8 -9.5 75 131 A H > + 0 0 6 -2,-0.7 3,-2.0 1,-0.2 -1,-0.1 0.065 39.5 122.8-103.5 24.6 -26.6 47.2 -5.9 76 132 A T T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -68,-0.0 -67,-0.1 0.867 82.5 35.7 -53.2 -47.9 -30.1 46.4 -4.5 77 133 A N T 3 S+ 0 0 75 -3,-0.3 -67,-2.9 -69,-0.1 2,-0.4 0.109 101.7 108.4 -93.2 20.1 -29.2 42.9 -3.2 78 134 A A E < -b 10 0B 4 -3,-2.0 -67,-0.2 39,-0.2 -66,-0.2 -0.827 57.3-159.0-101.7 136.6 -25.8 44.2 -2.3 79 135 A A E S- 0 0 2 -69,-1.2 2,-0.3 -2,-0.4 -67,-0.2 0.826 71.0 -35.1 -79.3 -33.2 -24.7 44.8 1.3 80 136 A C E -b 12 0B 0 -69,-1.4 -67,-0.7 41,-0.2 2,-0.4 -0.953 56.6-102.8-169.2-174.9 -21.9 47.2 0.2 81 137 A F E -bd 13 123B 0 41,-2.2 43,-3.3 -2,-0.3 2,-0.4 -0.995 24.8-170.7-132.2 135.6 -19.2 48.3 -2.3 82 138 A A E -bd 14 124B 0 -69,-2.7 -67,-1.9 -2,-0.4 2,-0.4 -0.986 3.9-178.5-129.8 135.2 -15.5 47.8 -2.0 83 139 A C E -bd 15 125B 0 41,-3.0 43,-2.4 -2,-0.4 2,-0.5 -0.999 5.8-166.8-132.0 134.0 -12.7 49.2 -4.2 84 140 A I E -bd 16 126B 2 -69,-3.1 -67,-2.4 -2,-0.4 2,-0.4 -0.989 4.8-165.9-123.9 124.6 -9.0 48.6 -3.8 85 141 A L E -bd 17 127B 2 41,-2.5 43,-2.6 -2,-0.5 2,-0.4 -0.930 5.9-177.4-113.5 132.0 -6.5 50.7 -5.7 86 142 A L E +bd 18 128B 2 -69,-2.0 -67,-1.9 -2,-0.4 2,-0.2 -0.920 40.5 69.4-132.6 108.8 -2.8 49.7 -6.0 87 143 A S E S- d 0 129B 1 41,-2.0 43,-0.6 -2,-0.4 2,-0.3 -0.875 81.6 -31.9-176.5-150.9 -0.3 52.0 -7.8 88 144 A H E - 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