==== 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 1K86 . COMPND 2 MOLECULE: CASPASE-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.CHAI,Q.WU,E.SHIOZAKI,S.M.SRINIVASA,E.S.ALNEMRI,Y.SHI . 464 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.0 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 . 0 0.0 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 . 50 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 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 . 1 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 57 A T 0 0 142 0, 0.0 2,-0.7 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 -80.8 74.1 28.7 15.4 2 58 A Y + 0 0 118 224,-0.1 226,-2.4 225,-0.1 2,-0.4 0.272 360.0 81.3 45.5 0.5 70.5 27.3 15.3 3 59 A Q B S-a 228 0A 97 -2,-0.7 226,-0.2 224,-0.3 2,-0.2 -0.977 84.8-105.4-135.3 145.9 69.2 29.4 12.4 4 60 A Y - 0 0 13 224,-2.2 226,-0.3 -2,-0.4 2,-0.2 -0.484 48.7-111.0 -63.4 132.1 69.4 29.2 8.6 5 61 A N - 0 0 93 -2,-0.2 -1,-0.1 1,-0.1 228,-0.1 -0.496 32.6-173.1 -67.3 129.5 72.0 31.8 7.6 6 62 A M + 0 0 12 -2,-0.2 2,-1.6 226,-0.1 -1,-0.1 0.273 42.0 122.8-109.3 12.3 70.2 34.7 5.7 7 63 A N + 0 0 137 226,-0.2 2,-0.3 72,-0.1 -2,-0.1 -0.559 42.1 113.1 -78.0 86.6 73.3 36.6 4.6 8 64 A F S S- 0 0 56 -2,-1.6 70,-0.1 1,-0.1 69,-0.1 -0.956 78.6-106.1-148.6 163.8 72.9 36.7 0.8 9 65 A E S S+ 0 0 157 68,-0.3 2,-0.3 -2,-0.3 69,-0.2 0.872 105.6 22.4 -60.8 -38.0 72.2 39.2 -1.9 10 66 A K E -b 78 0B 92 67,-2.0 69,-1.1 1,-0.1 70,-0.1 -0.925 68.4-131.5-132.3 157.1 68.6 38.0 -2.2 11 67 A L E - 0 0 4 38,-0.7 69,-2.4 -2,-0.3 68,-0.5 0.900 68.4-110.5 -68.1 -40.1 66.2 36.1 -0.1 12 68 A G E -b 80 0B 1 37,-0.4 39,-2.2 67,-0.2 -1,-0.3 -0.820 41.6 -42.0 136.7-175.7 65.6 33.9 -3.1 13 69 A K E -bc 81 51B 33 67,-0.6 69,-2.4 -2,-0.3 2,-0.5 -0.580 35.1-162.0 -92.3 148.4 63.0 33.1 -5.7 14 70 A C E -bc 82 52B 0 37,-1.5 39,-2.2 -2,-0.2 2,-0.5 -0.945 5.6-165.4-129.7 109.2 59.2 32.6 -5.2 15 71 A I E -bc 83 53B 2 67,-2.1 69,-3.2 -2,-0.5 2,-0.6 -0.835 4.0-165.9 -95.3 126.7 57.3 30.9 -8.0 16 72 A I E -bc 84 54B 0 37,-2.6 39,-2.7 -2,-0.5 2,-0.7 -0.919 2.6-166.8-115.9 108.7 53.6 31.3 -7.8 17 73 A I E -bc 85 55B 1 67,-2.5 69,-2.5 -2,-0.6 2,-0.7 -0.842 6.2-172.3 -94.6 114.8 51.6 28.9 -10.0 18 74 A N E -bc 86 56B 1 37,-3.4 39,-2.0 -2,-0.7 2,-0.8 -0.821 2.4-175.9-112.3 91.3 48.0 30.2 -10.1 19 75 A N + 0 0 1 67,-2.5 3,-0.1 -2,-0.7 76,-0.1 -0.788 22.1 145.8 -92.1 108.6 45.8 27.6 -11.9 20 76 A K + 0 0 50 -2,-0.8 11,-1.8 1,-0.3 2,-0.5 0.814 58.4 45.9-106.6 -51.7 42.3 29.1 -12.2 21 77 A N - 0 0 71 9,-0.2 2,-0.3 10,-0.1 -1,-0.3 -0.853 67.4-170.3-103.4 131.3 40.8 27.8 -15.5 22 78 A F - 0 0 26 -2,-0.5 76,-0.1 6,-0.2 75,-0.1 -0.813 25.3 -96.3-118.5 160.3 41.0 24.2 -16.5 23 79 A D > - 0 0 60 74,-2.4 4,-0.8 -2,-0.3 5,-0.3 -0.053 29.9-113.3 -67.5 171.9 40.2 22.2 -19.7 24 80 A K T 4 S+ 0 0 202 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.814 114.4 63.2 -73.9 -33.0 37.1 20.3 -20.5 25 81 A V T 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 73,-0.1 0.765 99.8 52.1 -63.2 -30.3 39.1 17.1 -20.4 26 82 A T T 4 S- 0 0 24 71,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.833 94.4-143.3 -77.3 -34.4 39.9 17.5 -16.7 27 83 A G < + 0 0 64 -4,-0.8 -3,-0.1 1,-0.3 2,-0.1 0.408 55.0 130.7 85.6 -3.2 36.3 18.0 -15.6 28 84 A M - 0 0 32 -5,-0.3 -1,-0.3 69,-0.1 -6,-0.2 -0.415 48.7-130.1 -82.6 159.2 37.4 20.6 -13.0 29 85 A G - 0 0 36 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.468 32.7 -71.6-105.5 178.0 35.8 24.0 -12.6 30 86 A V - 0 0 71 -2,-0.1 2,-1.4 -9,-0.1 -9,-0.2 -0.512 35.9-142.1 -72.5 128.1 37.0 27.6 -12.3 31 87 A R > - 0 0 5 -11,-1.8 3,-1.7 -2,-0.3 4,-0.2 -0.616 24.1-164.9 -91.3 76.2 38.6 28.5 -9.0 32 88 A N T 3 S+ 0 0 80 -2,-1.4 134,-0.1 1,-0.2 132,-0.1 -0.231 72.0 32.4 -59.2 150.8 37.2 32.0 -8.6 33 89 A G T >> S+ 0 0 9 132,-0.2 4,-2.2 133,-0.1 3,-0.7 0.191 83.6 110.0 86.2 -18.4 39.0 34.1 -5.9 34 90 A T H <> S+ 0 0 0 -3,-1.7 4,-2.0 1,-0.3 -2,-0.1 0.700 78.0 54.9 -63.0 -16.1 42.3 32.4 -6.8 35 91 A D H 3> S+ 0 0 66 2,-0.2 4,-2.0 -4,-0.2 -1,-0.3 0.780 103.6 52.0 -85.5 -29.8 43.3 35.7 -8.2 36 92 A K H <> S+ 0 0 113 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.871 114.9 44.9 -70.2 -36.4 42.5 37.5 -5.0 37 93 A D H X S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.928 111.7 50.8 -71.7 -46.1 44.8 35.0 -3.3 38 94 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.887 112.9 45.6 -60.7 -41.2 47.5 35.1 -6.0 39 95 A E H X S+ 0 0 146 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.928 114.1 49.0 -68.6 -42.8 47.7 38.9 -5.8 40 96 A A H X S+ 0 0 36 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.926 113.9 45.6 -60.5 -47.9 47.7 38.9 -2.0 41 97 A L H X S+ 0 0 3 -4,-3.1 4,-2.8 2,-0.2 5,-0.4 0.885 111.6 54.6 -63.5 -38.8 50.4 36.2 -1.9 42 98 A F H X S+ 0 0 83 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.966 112.7 40.2 -58.4 -56.6 52.3 38.2 -4.5 43 99 A K H X S+ 0 0 126 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.968 117.4 49.4 -56.4 -57.1 52.3 41.4 -2.5 44 100 A C H X S+ 0 0 1 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.907 116.9 38.8 -48.7 -56.8 53.0 39.6 0.8 45 101 A F H X>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 4,-1.0 0.845 113.8 55.9 -67.1 -35.0 55.9 37.5 -0.4 46 102 A R H ><5S+ 0 0 115 -4,-2.5 3,-1.3 -5,-0.4 -2,-0.2 0.960 108.1 47.5 -62.8 -47.8 57.3 40.3 -2.4 47 103 A S H 3<5S+ 0 0 57 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.642 103.8 62.9 -69.2 -12.0 57.4 42.6 0.6 48 104 A L H 3<5S- 0 0 12 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.768 128.4 -99.7 -78.4 -26.5 59.0 39.7 2.5 49 105 A G T <<5S+ 0 0 27 -3,-1.3 -38,-0.7 -4,-1.0 -37,-0.4 0.410 74.7 140.3 123.6 2.2 61.9 40.1 -0.0 50 106 A F < - 0 0 0 -5,-2.2 2,-1.5 -39,-0.2 -1,-0.3 -0.420 57.2-126.2 -77.7 149.7 61.2 37.3 -2.6 51 107 A D E -c 13 0B 71 -39,-2.2 -37,-1.5 -2,-0.1 2,-0.2 -0.719 44.9-167.3 -92.9 84.2 61.7 37.7 -6.3 52 108 A V E -c 14 0B 15 -2,-1.5 2,-0.4 -39,-0.2 -37,-0.2 -0.522 17.9-178.5 -80.4 138.1 58.2 36.6 -7.0 53 109 A I E -c 15 0B 69 -39,-2.2 -37,-2.6 -2,-0.2 2,-0.5 -0.995 15.7-145.5-136.3 129.9 56.9 35.6 -10.5 54 110 A V E -c 16 0B 45 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.859 10.8-169.7-104.9 124.8 53.4 34.5 -11.2 55 111 A Y E -c 17 0B 57 -39,-2.7 -37,-3.4 -2,-0.5 2,-0.3 -0.905 14.2-148.4-109.4 134.1 52.4 31.9 -13.8 56 112 A N E -c 18 0B 90 -2,-0.4 -37,-0.2 1,-0.2 -39,-0.0 -0.768 63.1 -8.5-109.5 151.9 48.7 31.4 -14.7 57 113 A D S S- 0 0 42 -39,-2.0 -1,-0.2 -2,-0.3 -38,-0.2 0.851 82.5-170.9 33.1 59.3 46.7 28.4 -15.8 58 114 A C - 0 0 0 -3,-0.3 39,-2.4 1,-0.1 40,-0.2 -0.434 17.8-128.4 -78.0 152.0 49.8 26.3 -16.2 59 115 A S > - 0 0 21 37,-0.3 4,-2.4 38,-0.2 5,-0.3 -0.449 30.0-106.3 -88.7 169.4 49.8 22.9 -17.9 60 116 A C H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.887 123.0 58.1 -64.5 -34.6 51.3 19.9 -16.1 61 117 A A H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 110.2 41.4 -59.8 -45.8 54.1 20.2 -18.6 62 118 A K H > S+ 0 0 78 2,-0.2 4,-5.3 1,-0.2 5,-0.4 0.964 110.2 53.2 -69.3 -54.7 54.9 23.8 -17.6 63 119 A M H X S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.888 115.9 46.6 -47.0 -38.1 54.6 23.5 -13.8 64 120 A Q H X S+ 0 0 41 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.956 118.4 36.5 -69.3 -52.8 57.0 20.7 -14.4 65 121 A D H X S+ 0 0 57 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.929 111.3 64.0 -65.1 -44.7 59.4 22.5 -16.7 66 122 A L H X S+ 0 0 22 -4,-5.3 4,-1.1 1,-0.3 -1,-0.2 0.840 111.4 36.2 -47.2 -41.3 58.8 25.7 -14.6 67 123 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.4 -1,-0.3 0.739 111.2 58.3 -89.5 -22.7 60.4 24.0 -11.6 68 124 A K H X S+ 0 0 81 -4,-1.6 4,-0.9 -3,-0.2 -2,-0.2 0.940 109.4 47.0 -69.0 -44.7 63.1 21.9 -13.4 69 125 A K H >X S+ 0 0 112 -4,-2.8 4,-1.2 1,-0.2 3,-0.8 0.929 111.3 50.3 -60.0 -48.2 64.5 25.2 -14.8 70 126 A A H >< S+ 0 0 2 -4,-1.1 3,-0.8 -5,-0.3 -1,-0.2 0.912 108.3 52.0 -57.7 -45.0 64.4 26.9 -11.4 71 127 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.721 110.1 52.8 -65.1 -18.6 66.2 24.0 -9.8 72 128 A E H << S+ 0 0 121 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.691 89.6 94.8 -89.2 -21.7 68.7 24.4 -12.5 73 129 A E S << S- 0 0 92 -4,-1.2 2,-0.6 -3,-0.8 44,-0.1 -0.195 87.5 -99.1 -65.5 161.8 69.3 28.2 -11.9 74 130 A D + 0 0 102 1,-0.1 3,-0.2 42,-0.0 -1,-0.1 -0.763 38.9 174.1 -89.8 123.5 72.2 29.2 -9.7 75 131 A H > + 0 0 9 -2,-0.6 3,-2.4 1,-0.1 -1,-0.1 0.100 38.7 123.0-113.2 19.7 71.2 30.1 -6.1 76 132 A T T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -68,-0.0 -2,-0.0 0.836 85.5 39.3 -49.8 -34.8 74.6 30.7 -4.7 77 133 A N T 3 S+ 0 0 67 -3,-0.2 -67,-2.0 -69,-0.1 -68,-0.3 0.326 99.0 96.3 -99.0 6.0 73.5 34.1 -3.7 78 134 A A E < -b 10 0B 2 -3,-2.4 -67,-0.2 39,-0.2 -66,-0.2 -0.718 61.3-151.9 -96.8 147.9 70.0 33.2 -2.6 79 135 A A E S- 0 0 2 -69,-1.1 2,-0.3 -68,-0.5 -67,-0.2 0.805 73.3 -28.5 -85.1 -33.2 69.1 32.5 1.0 80 136 A C E -b 12 0B 0 -69,-2.4 -67,-0.6 41,-0.1 2,-0.3 -0.899 59.0-111.1-162.5-171.2 66.3 30.1 0.2 81 137 A F E -bd 13 123B 0 41,-2.1 43,-3.5 -2,-0.3 2,-0.4 -0.990 21.6-171.4-139.2 145.4 63.6 29.0 -2.3 82 138 A A E -bd 14 124B 0 -69,-2.4 -67,-2.1 -2,-0.3 2,-0.4 -0.986 4.7-173.6-144.4 132.0 59.8 29.1 -2.2 83 139 A C E -bd 15 125B 0 41,-3.2 43,-2.7 -2,-0.4 2,-0.5 -0.965 6.9-163.0-122.8 139.1 57.1 27.7 -4.5 84 140 A I E -bd 16 126B 1 -69,-3.2 -67,-2.5 -2,-0.4 2,-0.5 -0.963 4.6-165.1-127.0 114.8 53.4 28.4 -4.1 85 141 A L E +bd 17 127B 4 41,-2.5 43,-3.0 -2,-0.5 2,-0.5 -0.873 8.4 179.8-105.1 125.1 50.8 26.2 -5.8 86 142 A L E +bd 18 128B 3 -69,-2.5 -67,-2.5 -2,-0.5 2,-0.2 -0.908 39.7 93.8-123.7 101.7 47.2 27.3 -6.1 87 143 A S E S- d 0 129B 2 41,-1.3 43,-0.6 -2,-0.5 2,-0.3 -0.845 76.8 -62.3-162.3-166.3 45.0 24.8 -7.9 88 144 A H E + d 0 130B 13 -2,-0.2 7,-3.1 7,-0.2 2,-0.3 -0.661 58.4 175.1 -90.1 155.4 42.7 21.8 -7.6 89 145 A G B +M 94 0C 2 41,-1.5 5,-0.2 42,-0.7 11,-0.0 -0.995 26.0 178.5-160.5 161.6 44.2 18.7 -5.9 90 146 A E - 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