==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUL-09 3IBF . COMPND 2 MOLECULE: CASPASE-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.AGNISWAMY . 469 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.0 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 0.9 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 . 48 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 22.4 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 1 1 0 0 0 0 0 1 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 2 3 1 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 . 4 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 57 A T 0 0 155 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -25.8 -15.1 28.5 15.3 2 58 A Y + 0 0 115 2,-0.1 226,-2.8 225,-0.1 2,-0.4 0.307 360.0 72.1-111.6 2.7 -18.7 27.4 15.5 3 59 A Q B S-a 228 0A 95 224,-0.3 226,-0.2 226,-0.0 2,-0.0 -0.932 88.4-104.7-123.2 145.9 -20.0 29.7 12.8 4 60 A Y - 0 0 14 224,-2.8 2,-0.6 -2,-0.4 226,-0.2 -0.386 46.5-105.0 -63.0 142.4 -19.6 29.5 9.0 5 61 A N + 0 0 93 1,-0.2 -1,-0.1 74,-0.1 228,-0.1 -0.612 38.5 177.9 -74.9 118.5 -17.1 32.1 7.8 6 62 A M + 0 0 21 -2,-0.6 2,-2.2 226,-0.2 -1,-0.2 0.270 44.7 117.2-102.1 8.6 -19.0 35.0 6.2 7 63 A N + 0 0 125 72,-0.1 2,-0.3 225,-0.1 -1,-0.1 -0.479 47.9 116.2 -79.3 72.2 -15.8 36.9 5.5 8 64 A F S S- 0 0 67 -2,-2.2 70,-0.1 1,-0.1 69,-0.1 -0.902 75.6-113.5-136.1 164.0 -16.1 36.8 1.7 9 65 A E S S+ 0 0 163 -2,-0.3 2,-0.3 68,-0.2 69,-0.2 0.955 102.6 32.4 -63.0 -51.9 -16.5 39.3 -1.1 10 66 A K E -b 78 0B 96 67,-2.8 69,-1.3 1,-0.1 70,-0.1 -0.787 67.4-142.5-107.9 150.1 -20.0 38.1 -2.0 11 67 A L E - 0 0 22 38,-0.7 69,-1.7 -2,-0.3 68,-0.5 0.928 66.4 -99.1 -72.3 -43.9 -22.7 36.7 0.2 12 68 A G E -bc 80 50B 1 37,-0.5 39,-2.5 67,-0.2 -1,-0.3 -0.820 37.2 -59.8 147.7 173.2 -23.6 34.3 -2.6 13 69 A K E -bc 81 51B 37 67,-0.6 69,-2.3 -2,-0.2 2,-0.5 -0.632 38.3-162.2 -87.4 144.7 -25.8 33.5 -5.5 14 70 A C E -bc 82 52B 0 37,-1.8 39,-2.2 -2,-0.3 2,-0.6 -0.942 1.4-164.9-131.1 112.0 -29.5 33.1 -5.0 15 71 A I E -bc 83 53B 1 67,-2.2 69,-3.2 -2,-0.5 2,-0.6 -0.849 1.8-167.3 -98.2 122.0 -31.6 31.3 -7.7 16 72 A I E -bc 84 54B 0 37,-2.6 39,-2.9 -2,-0.6 2,-0.7 -0.942 2.2-165.0-109.1 117.5 -35.3 31.7 -7.5 17 73 A I E -bc 85 55B 0 67,-3.5 69,-3.0 -2,-0.6 2,-0.7 -0.921 8.0-172.5-103.3 114.6 -37.3 29.3 -9.7 18 74 A N E -bc 86 56B 1 37,-3.0 39,-1.8 -2,-0.7 2,-0.7 -0.807 3.2-175.6-114.7 90.9 -40.9 30.6 -10.0 19 75 A N + 0 0 0 67,-2.6 3,-0.1 -2,-0.7 76,-0.1 -0.762 21.9 146.0 -90.5 115.5 -43.2 28.2 -11.8 20 76 A K + 0 0 52 -2,-0.7 11,-2.3 1,-0.3 2,-0.5 0.716 59.7 50.8-115.8 -36.8 -46.7 29.6 -12.2 21 77 A N - 0 0 70 9,-0.2 2,-0.3 10,-0.1 -1,-0.3 -0.941 66.9-170.7-113.4 121.4 -48.0 28.3 -15.6 22 78 A F - 0 0 21 -2,-0.5 76,-0.1 6,-0.4 75,-0.1 -0.806 30.0 -95.4-113.1 152.7 -47.9 24.6 -16.3 23 79 A D >>> - 0 0 32 74,-3.1 3,-1.7 -2,-0.3 4,-0.8 -0.285 30.0-123.1 -62.1 146.3 -48.5 22.6 -19.5 24 80 A K G >45S+ 0 0 171 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.861 110.4 67.9 -57.9 -36.6 -52.0 21.1 -19.9 25 81 A V G 345S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.1 73,-0.1 0.745 98.3 52.7 -56.9 -23.0 -50.4 17.7 -20.3 26 82 A T G <45S- 0 0 25 -3,-1.7 -1,-0.3 71,-0.3 -2,-0.2 0.758 99.3-142.2 -83.1 -26.7 -49.4 18.0 -16.6 27 83 A G T <<5 + 0 0 66 -3,-1.2 2,-0.4 -4,-0.8 -3,-0.1 0.636 52.6 138.9 73.9 13.8 -52.9 18.8 -15.6 28 84 A M < - 0 0 50 -5,-0.7 -6,-0.4 69,-0.1 -1,-0.3 -0.768 46.8-131.2 -95.4 134.6 -51.7 21.3 -13.0 29 85 A G - 0 0 48 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 -0.194 36.1 -75.3 -77.9 171.8 -53.5 24.6 -12.6 30 86 A V - 0 0 65 1,-0.1 2,-1.2 -9,-0.1 -9,-0.2 -0.401 40.1-130.6 -65.8 140.5 -52.1 28.1 -12.5 31 87 A R > - 0 0 4 -11,-2.3 3,-1.8 -3,-0.1 4,-0.3 -0.621 28.5-161.9 -96.1 75.6 -50.3 28.9 -9.2 32 88 A N T 3 S+ 0 0 84 -2,-1.2 134,-0.1 1,-0.2 136,-0.0 -0.242 71.6 24.3 -57.3 141.1 -52.0 32.3 -8.4 33 89 A G T 3> S+ 0 0 10 132,-0.2 4,-1.8 133,-0.1 3,-0.4 0.274 85.5 111.0 87.6 -12.1 -50.1 34.4 -5.9 34 90 A T H <> S+ 0 0 0 -3,-1.8 4,-3.2 1,-0.2 5,-0.1 0.819 76.2 56.4 -65.1 -27.5 -46.8 32.8 -6.6 35 91 A D H > S+ 0 0 66 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.837 103.0 54.0 -70.9 -32.5 -45.6 36.1 -8.2 36 92 A K H > S+ 0 0 111 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.905 112.8 44.2 -65.3 -41.3 -46.5 37.8 -4.9 37 93 A D H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.960 110.7 53.4 -67.6 -50.5 -44.2 35.3 -3.2 38 94 A A H X S+ 0 0 6 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.886 110.8 46.9 -52.7 -44.3 -41.5 35.5 -5.7 39 95 A E H X S+ 0 0 120 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.948 112.4 47.9 -64.7 -48.8 -41.3 39.3 -5.4 40 96 A A H X S+ 0 0 39 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.915 113.3 49.5 -57.1 -43.7 -41.3 39.3 -1.6 41 97 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.867 106.1 56.8 -63.4 -37.8 -38.6 36.7 -1.7 42 98 A F H X S+ 0 0 74 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.901 109.2 45.4 -62.1 -42.2 -36.5 38.7 -4.2 43 99 A K H X S+ 0 0 121 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.939 113.2 49.5 -68.0 -46.5 -36.5 41.7 -1.8 44 100 A C H X S+ 0 0 15 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.955 115.8 40.1 -57.7 -55.5 -35.6 39.7 1.3 45 101 A F H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-1.2 0.861 116.4 50.4 -65.7 -33.9 -32.8 37.7 -0.2 46 102 A R H ><5S+ 0 0 113 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.954 110.5 52.1 -64.3 -47.4 -31.4 40.7 -2.1 47 103 A S H 3<5S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.707 105.1 54.3 -60.2 -26.0 -31.7 42.6 1.2 48 104 A L H 3<5S- 0 0 13 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.770 130.0 -95.1 -80.2 -26.7 -29.7 39.9 3.0 49 105 A G T <<5S+ 0 0 26 -4,-1.2 -38,-0.7 -3,-0.8 -37,-0.5 0.446 75.7 143.1 125.9 6.5 -26.9 40.4 0.4 50 106 A F E < -c 12 0B 0 -5,-2.7 2,-1.4 -39,-0.2 -1,-0.3 -0.500 52.7-132.2 -79.0 145.3 -27.7 37.7 -2.2 51 107 A D E -c 13 0B 68 -39,-2.5 -37,-1.8 -2,-0.2 2,-0.3 -0.764 42.8-169.2 -94.4 86.4 -27.2 38.3 -5.9 52 108 A V E -c 14 0B 14 -2,-1.4 2,-0.4 -39,-0.2 -37,-0.2 -0.598 19.8-175.4 -89.5 141.4 -30.6 36.9 -6.8 53 109 A I E -c 15 0B 71 -39,-2.2 -37,-2.6 -2,-0.3 2,-0.5 -0.997 15.7-144.1-131.1 135.0 -32.0 36.1 -10.2 54 110 A V E -c 16 0B 47 -2,-0.4 2,-0.5 -39,-0.2 -37,-0.2 -0.894 11.1-168.3-106.8 123.2 -35.5 34.9 -10.9 55 111 A Y E -c 17 0B 58 -39,-2.9 -37,-3.0 -2,-0.5 2,-0.3 -0.919 14.9-147.0-108.9 131.5 -36.3 32.4 -13.6 56 112 A N E -c 18 0B 93 -2,-0.5 -37,-0.2 1,-0.2 -39,-0.0 -0.727 61.0 -9.5-105.7 151.9 -40.0 31.9 -14.6 57 113 A D S S- 0 0 43 -39,-1.8 -1,-0.2 -2,-0.3 2,-0.2 0.852 80.4-170.9 31.9 63.4 -42.0 28.9 -15.8 58 114 A C - 0 0 4 -3,-0.3 39,-1.2 1,-0.1 40,-0.2 -0.521 17.9-131.0 -82.3 148.3 -39.0 26.6 -16.2 59 115 A S > - 0 0 36 37,-0.3 4,-2.2 -2,-0.2 5,-0.2 -0.377 33.5-101.9 -85.4 172.5 -39.1 23.3 -17.9 60 116 A C H > S+ 0 0 19 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.832 125.7 48.4 -67.7 -31.1 -37.5 20.3 -16.1 61 117 A A H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 109.7 53.8 -73.7 -38.6 -34.5 20.5 -18.4 62 118 A K H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.915 109.1 46.9 -60.7 -46.6 -34.3 24.2 -17.8 63 119 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.883 112.3 50.8 -64.8 -38.7 -34.2 23.8 -14.0 64 120 A Q H X S+ 0 0 50 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.897 113.1 45.8 -65.8 -39.3 -31.6 21.1 -14.3 65 121 A D H X S+ 0 0 66 -4,-2.4 4,-3.3 2,-0.2 5,-0.4 0.933 110.7 52.6 -68.7 -46.8 -29.4 23.3 -16.6 66 122 A L H X S+ 0 0 14 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.932 116.0 40.1 -53.6 -49.2 -29.8 26.3 -14.3 67 123 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.827 115.7 51.0 -72.6 -31.6 -28.7 24.3 -11.3 68 124 A K H X S+ 0 0 89 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.962 114.0 43.2 -69.9 -49.4 -26.0 22.5 -13.2 69 125 A K H >X S+ 0 0 103 -4,-3.3 3,-1.4 1,-0.2 4,-0.9 0.945 111.8 54.0 -59.4 -49.0 -24.5 25.6 -14.6 70 126 A A H >< S+ 0 0 2 -4,-2.3 3,-0.5 -5,-0.4 -1,-0.2 0.849 108.0 51.2 -54.7 -34.9 -24.8 27.4 -11.3 71 127 A S H 3< S+ 0 0 9 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.707 107.4 53.9 -76.9 -17.9 -22.8 24.6 -9.7 72 128 A E H << S+ 0 0 112 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.554 89.1 97.7 -92.6 -8.9 -20.1 24.9 -12.3 73 129 A E S << S- 0 0 87 -4,-0.9 2,-0.7 -3,-0.5 44,-0.2 -0.120 88.0 -97.4 -68.8 174.6 -19.5 28.6 -11.7 74 130 A D + 0 0 108 1,-0.1 3,-0.3 42,-0.1 -1,-0.1 -0.869 40.8 172.5-102.5 108.8 -16.7 29.7 -9.4 75 131 A H > + 0 0 7 -2,-0.7 3,-2.6 1,-0.2 -1,-0.1 0.165 39.3 121.0 -99.9 17.2 -17.9 30.4 -5.9 76 132 A T T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -68,-0.0 -2,-0.0 0.840 82.1 39.8 -49.8 -38.9 -14.5 31.0 -4.4 77 133 A N T 3 S+ 0 0 85 -3,-0.3 -67,-2.8 -69,-0.1 2,-0.3 0.226 99.9 97.1 -98.2 15.9 -15.4 34.5 -3.3 78 134 A A E < -b 10 0B 4 -3,-2.6 -67,-0.2 39,-0.2 -66,-0.2 -0.799 61.5-153.0-103.4 144.0 -18.9 33.5 -2.2 79 135 A A E S- 0 0 2 -69,-1.3 2,-0.3 -68,-0.5 -67,-0.2 0.797 74.1 -26.2 -83.8 -31.1 -19.8 32.7 1.4 80 136 A C E -b 12 0B 0 -69,-1.7 -67,-0.6 41,-0.2 2,-0.3 -0.935 57.6-114.5-164.4-175.6 -22.7 30.4 0.4 81 137 A F E -bd 13 123B 0 41,-2.0 43,-2.9 -2,-0.3 2,-0.3 -0.986 21.7-170.0-136.7 145.1 -25.3 29.5 -2.1 82 138 A A E -bd 14 124B 0 -69,-2.3 -67,-2.2 -2,-0.3 2,-0.4 -0.994 3.8-174.0-139.0 143.6 -29.1 29.6 -2.0 83 139 A C E -bd 15 125B 0 41,-2.5 43,-2.6 -2,-0.3 2,-0.4 -0.999 5.2-164.4-138.6 137.0 -31.9 28.2 -4.2 84 140 A I E -bd 16 126B 4 -69,-3.2 -67,-3.5 -2,-0.4 2,-0.6 -0.990 2.7-166.6-126.0 123.3 -35.6 28.8 -3.9 85 141 A L E -bd 17 127B 2 41,-2.4 43,-3.1 -2,-0.4 2,-0.6 -0.951 5.8-178.6-114.5 116.3 -38.1 26.6 -5.8 86 142 A L E +bd 18 128B 1 -69,-3.0 -67,-2.6 -2,-0.6 2,-0.3 -0.964 40.1 95.4-112.9 113.8 -41.7 27.8 -5.9 87 143 A S S S- 0 0 1 41,-2.0 2,-0.3 -2,-0.6 43,-0.2 -0.920 75.7 -56.3-171.2-168.1 -43.9 25.3 -7.8 88 144 A H - 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