==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-11 3S8E . COMPND 2 MOLECULE: CASPASE-6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.M.VELAZQUEZ-DELGADO,J.A.HARDY . 1747 32 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1207 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 242 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 6.4 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 186 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 409 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 7 1 0 0 0 0 0 0 16 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 0 0 0 14 18 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 . 8 1 13 8 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 . 8 0 1 0 0 0 0 0 0 0 4 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 30 A M 0 0 230 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.4 36.6 8.7 42.3 2 31 A F - 0 0 43 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.953 360.0-152.5-147.0 122.2 36.3 5.4 40.4 3 32 A D > - 0 0 73 -2,-0.3 3,-1.0 1,-0.1 0, 0.0 -0.850 7.4-170.2-104.3 114.5 34.3 2.3 41.5 4 33 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 403,-0.0 0.761 91.1 50.1 -69.2 -27.0 35.5 -1.1 40.4 5 34 A A T 3 S+ 0 0 49 209,-0.1 2,-0.1 2,-0.0 209,-0.0 0.355 79.7 137.6 -93.9 5.3 32.3 -2.8 41.6 6 35 A E < - 0 0 64 -3,-1.0 209,-2.2 1,-0.1 2,-0.2 -0.298 36.4-160.2 -63.1 127.8 29.9 -0.3 39.9 7 36 A K B -a 215 0A 100 207,-0.2 209,-0.2 1,-0.1 2,-0.1 -0.627 27.1 -91.6-102.2 161.5 26.9 -1.9 38.2 8 37 A Y - 0 0 9 207,-2.7 2,-0.9 -2,-0.2 209,-0.2 -0.429 50.0-101.7 -63.4 146.3 24.6 -0.7 35.5 9 38 A K + 0 0 143 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.657 49.5 170.4 -73.8 106.7 21.5 1.1 36.9 10 39 A M + 0 0 31 -2,-0.9 -1,-0.1 1,-0.2 73,-0.1 -0.147 45.8 97.1-113.6 38.4 18.9 -1.7 36.6 11 40 A D + 0 0 122 71,-0.1 -1,-0.2 72,-0.1 4,-0.1 0.042 47.7 127.4-118.1 25.2 16.1 -0.1 38.5 12 41 A H S S- 0 0 53 -3,-0.2 71,-0.1 2,-0.2 70,-0.1 -0.210 75.7-100.2 -70.5 170.3 14.0 1.4 35.7 13 42 A R S S+ 0 0 185 69,-0.1 2,-0.3 2,-0.0 69,-0.2 0.947 106.2 29.5 -59.4 -51.1 10.3 0.7 35.4 14 43 A R B S-b 82 0B 52 67,-2.8 69,-1.1 1,-0.1 -2,-0.2 -0.762 70.0-137.6-108.8 156.0 10.7 -2.0 32.7 15 44 A R - 0 0 5 38,-0.7 69,-2.6 -2,-0.3 68,-0.5 0.910 58.3-112.8 -72.6 -44.6 13.6 -4.3 32.0 16 45 A G - 0 0 2 37,-0.4 39,-2.5 67,-0.2 2,-0.4 -0.789 38.3 -47.4 134.9-178.9 13.4 -3.8 28.3 17 46 A I E -c 55 0C 11 67,-0.4 69,-2.3 -2,-0.2 2,-0.8 -0.748 34.2-156.5 -93.7 128.8 12.5 -5.6 25.1 18 47 A A E -cd 56 86C 0 37,-2.1 39,-2.6 -2,-0.4 2,-0.5 -0.922 20.3-162.7 -99.0 106.4 13.9 -9.0 24.2 19 48 A L E -cd 57 87C 0 67,-3.5 69,-3.2 -2,-0.8 2,-0.5 -0.805 6.5-170.3 -98.2 126.4 13.7 -9.1 20.5 20 49 A I E -cd 58 88C 0 37,-2.6 39,-1.7 -2,-0.5 2,-0.7 -0.967 12.8-168.4-124.5 122.1 13.9 -12.5 18.8 21 50 A F E -cd 59 89C 0 67,-2.8 69,-2.9 -2,-0.5 2,-0.6 -0.912 14.5-169.3-107.7 106.0 14.2 -13.2 15.1 22 51 A N E -cd 60 90C 0 37,-2.6 39,-2.9 -2,-0.7 2,-0.5 -0.860 4.3-173.7-103.0 116.3 13.7 -16.9 14.5 23 52 A H + 0 0 1 67,-2.9 3,-0.1 -2,-0.6 37,-0.1 -0.934 20.6 150.7-116.0 117.1 14.5 -18.3 11.0 24 53 A E + 0 0 38 -2,-0.5 11,-2.8 1,-0.3 2,-0.3 0.807 67.0 29.8-108.6 -50.6 13.6 -21.9 10.2 25 54 A R - 0 0 117 9,-0.2 2,-0.3 10,-0.0 -1,-0.3 -0.789 69.8-155.2-112.9 159.5 13.0 -22.0 6.4 26 55 A F - 0 0 16 6,-0.3 76,-0.2 -2,-0.3 75,-0.1 -0.938 33.9 -76.8-136.3 155.3 14.4 -19.9 3.7 27 56 A F > - 0 0 19 74,-3.4 3,-1.7 -2,-0.3 5,-0.4 -0.209 48.0-122.2 -47.9 134.8 13.6 -18.6 0.1 28 57 A W G > S+ 0 0 196 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.882 106.0 57.7 -52.7 -48.8 14.3 -21.5 -2.3 29 58 A H G 3 S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.392 93.3 69.7 -72.6 5.5 16.8 -19.8 -4.5 30 59 A L G < S- 0 0 34 -3,-1.7 -1,-0.3 71,-0.1 -2,-0.2 0.601 93.7-142.8 -90.4 -16.8 19.1 -19.1 -1.5 31 60 A T < + 0 0 124 -3,-2.1 -2,-0.1 -4,-0.3 -3,-0.1 0.892 44.1 152.3 55.6 46.8 19.8 -22.9 -1.3 32 61 A L - 0 0 43 -5,-0.4 -6,-0.3 -4,-0.1 -1,-0.2 -0.925 45.0-117.6-112.2 131.0 19.9 -22.9 2.5 33 62 A P - 0 0 88 0, 0.0 2,-0.0 0, 0.0 -1,-0.0 -0.302 35.9 -98.0 -66.7 144.9 19.0 -26.0 4.6 34 63 A E - 0 0 109 1,-0.1 2,-1.1 -9,-0.1 -9,-0.2 -0.355 33.1-128.8 -60.0 139.5 16.0 -25.9 6.9 35 64 A R > - 0 0 35 -11,-2.8 3,-1.1 -3,-0.1 4,-0.3 -0.760 24.3-155.9 -99.6 91.5 17.0 -25.2 10.5 36 65 A R T 3 S+ 0 0 146 -2,-1.1 123,-0.1 1,-0.2 122,-0.1 -0.421 72.1 17.2 -68.3 135.0 15.4 -27.9 12.6 37 66 A G T 3> S+ 0 0 11 -2,-0.1 4,-1.2 120,-0.1 123,-0.2 0.671 80.5 118.5 80.1 19.7 14.8 -27.1 16.3 38 67 A T H <> S+ 0 0 2 -3,-1.1 4,-3.0 2,-0.2 5,-0.1 0.774 75.9 57.7 -81.9 -29.0 15.2 -23.3 16.1 39 68 A C H > S+ 0 0 16 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.835 104.9 52.2 -65.7 -32.1 11.6 -23.0 17.3 40 69 A A H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.905 111.5 45.6 -66.8 -43.2 12.8 -25.1 20.3 41 70 A D H X S+ 0 0 3 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.903 113.0 51.1 -63.1 -43.4 15.6 -22.5 20.8 42 71 A R H X S+ 0 0 39 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.923 111.5 45.6 -62.8 -46.9 13.1 -19.7 20.3 43 72 A D H X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.893 112.2 53.8 -63.2 -38.1 10.7 -21.0 22.9 44 73 A N H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.910 111.3 43.7 -63.1 -45.4 13.6 -21.7 25.3 45 74 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.874 111.4 54.2 -68.5 -41.2 14.9 -18.1 25.1 46 75 A T H X S+ 0 0 36 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.964 110.1 47.9 -54.3 -55.7 11.4 -16.6 25.4 47 76 A R H X S+ 0 0 20 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.932 115.8 43.9 -47.0 -56.9 10.8 -18.6 28.6 48 77 A R H X S+ 0 0 34 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.892 114.5 46.2 -63.9 -46.7 14.2 -17.6 30.1 49 78 A F H <>S+ 0 0 1 -4,-2.9 5,-2.9 1,-0.2 -1,-0.2 0.749 109.0 57.2 -71.3 -24.1 14.1 -13.9 29.2 50 79 A S H ><5S+ 0 0 53 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 0.895 104.5 50.4 -70.8 -42.0 10.5 -13.6 30.4 51 80 A D H 3<5S+ 0 0 110 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.705 107.0 56.5 -67.3 -21.3 11.5 -14.8 33.9 52 81 A L T 3<5S- 0 0 10 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.474 126.8-106.2 -86.7 -5.0 14.2 -12.2 33.8 53 82 A G T < 5 + 0 0 44 -3,-1.4 -38,-0.7 1,-0.3 -37,-0.4 0.493 69.6 145.1 97.7 6.2 11.5 -9.7 33.2 54 83 A F < - 0 0 10 -5,-2.9 2,-1.0 -39,-0.2 -1,-0.3 -0.400 54.6-123.4 -73.8 150.2 12.0 -8.9 29.5 55 84 A E E -c 17 0C 95 -39,-2.5 -37,-2.1 -2,-0.1 2,-0.5 -0.851 35.4-150.9 -89.5 100.9 9.1 -8.1 27.1 56 85 A V E -c 18 0C 32 -2,-1.0 2,-0.5 -39,-0.2 -37,-0.2 -0.662 16.6-174.9 -84.1 122.2 9.8 -10.9 24.6 57 86 A K E -c 19 0C 73 -39,-2.6 -37,-2.6 -2,-0.5 2,-0.3 -0.967 9.6-162.5-117.5 114.9 8.7 -10.1 21.0 58 87 A C E -c 20 0C 45 -2,-0.5 2,-0.4 -39,-0.2 -37,-0.2 -0.728 10.9-176.0-101.4 146.9 9.1 -13.0 18.5 59 88 A F E -c 21 0C 38 -39,-1.7 -37,-2.6 -2,-0.3 2,-0.5 -0.968 12.3-151.9-143.5 122.9 9.2 -12.9 14.7 60 89 A N E -c 22 0C 72 -2,-0.4 -37,-0.2 1,-0.2 -39,-0.0 -0.822 66.6 -21.8-105.7 130.3 9.4 -16.0 12.5 61 90 A D S S- 0 0 43 -39,-2.9 -1,-0.2 -2,-0.5 -38,-0.1 0.805 80.2-179.3 46.8 42.1 10.9 -16.3 9.0 62 91 A L - 0 0 19 -3,-0.2 39,-2.2 -40,-0.2 40,-0.2 -0.411 24.7-120.6 -67.8 144.5 10.5 -12.5 8.4 63 92 A K > - 0 0 72 37,-0.2 4,-2.8 38,-0.2 5,-0.3 -0.435 34.2 -95.3 -81.2 164.6 11.7 -11.2 5.0 64 93 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.846 123.9 46.7 -50.1 -44.8 14.5 -8.6 4.7 65 94 A E H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 113.8 46.3 -62.4 -51.4 12.0 -5.7 4.5 66 95 A E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.876 113.6 50.0 -62.6 -39.1 9.8 -6.8 7.4 67 96 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.954 112.0 46.8 -63.3 -50.6 12.9 -7.5 9.6 68 97 A L H X S+ 0 0 7 -4,-2.4 4,-1.7 -5,-0.3 5,-0.2 0.849 110.8 53.5 -60.5 -36.9 14.4 -4.1 8.9 69 98 A L H X S+ 0 0 84 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.879 110.8 46.8 -64.7 -39.1 11.0 -2.4 9.6 70 99 A K H X S+ 0 0 58 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.921 111.9 46.3 -73.1 -46.0 10.7 -4.1 13.0 71 100 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.915 115.3 47.6 -63.1 -43.3 14.3 -3.4 14.3 72 101 A H H X S+ 0 0 44 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.919 111.1 52.3 -61.5 -43.0 14.1 0.2 13.2 73 102 A E H X S+ 0 0 102 -4,-1.8 4,-0.6 1,-0.2 3,-0.3 0.923 112.9 44.5 -56.1 -46.3 10.6 0.4 14.8 74 103 A V H < S+ 0 0 7 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.847 111.3 53.5 -68.9 -35.0 12.1 -1.0 18.1 75 104 A S H < S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.727 109.8 48.2 -72.8 -22.7 15.2 1.3 17.9 76 105 A T H < S+ 0 0 91 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.495 91.5 97.4 -98.2 -6.5 12.9 4.4 17.6 77 106 A V S < S- 0 0 70 -4,-0.6 2,-0.4 -3,-0.4 44,-0.2 -0.451 90.0 -94.5 -72.7 154.0 10.7 3.4 20.5 78 107 A S + 0 0 67 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.616 40.1 174.2 -74.8 125.6 11.4 5.0 23.8 79 108 A H > + 0 0 0 -2,-0.4 3,-1.7 -4,-0.1 -1,-0.1 0.078 47.2 114.5-111.2 18.0 13.7 2.9 26.1 80 109 A A T 3 S+ 0 0 59 1,-0.3 -1,-0.1 -68,-0.0 -2,-0.0 0.865 80.1 43.7 -58.0 -39.6 13.9 5.7 28.7 81 110 A D T 3 S+ 0 0 47 -3,-0.1 -67,-2.8 -69,-0.1 2,-0.3 -0.089 103.0 93.8 -97.0 33.8 12.0 3.7 31.2 82 111 A A B < -b 14 0B 0 -3,-1.7 -67,-0.2 39,-0.3 -66,-0.2 -0.926 65.8-144.2-128.5 150.8 14.0 0.5 30.4 83 112 A D S S- 0 0 1 -69,-1.1 2,-0.2 -68,-0.5 -67,-0.2 0.915 74.0 -34.5 -75.4 -47.1 17.1 -1.2 31.9 84 113 A C - 0 0 0 -69,-2.6 -67,-0.4 41,-0.2 2,-0.4 -0.866 56.7-106.2-160.5-174.9 18.6 -2.6 28.7 85 114 A F E - e 0 127C 0 41,-1.9 43,-2.9 -2,-0.2 2,-0.4 -0.997 20.2-166.9-136.1 139.3 17.9 -4.1 25.3 86 115 A V E -de 18 128C 1 -69,-2.3 -67,-3.5 -2,-0.4 2,-0.4 -0.993 5.3-179.4-127.4 130.4 18.3 -7.6 24.0 87 116 A C E -de 19 129C 0 41,-2.7 43,-2.8 -2,-0.4 2,-0.4 -0.997 6.9-166.7-127.3 135.1 18.2 -8.8 20.4 88 117 A V E -de 20 130C 0 -69,-3.2 -67,-2.8 -2,-0.4 2,-0.5 -0.969 5.7-164.1-124.3 134.7 18.5 -12.4 19.2 89 118 A F E -de 21 131C 1 41,-3.0 43,-2.9 -2,-0.4 2,-0.6 -0.972 6.1-178.9-118.7 120.4 19.2 -13.8 15.7 90 119 A L E +de 22 132C 0 -69,-2.9 -67,-2.9 -2,-0.5 2,-0.2 -0.871 47.7 83.9-116.3 94.6 18.5 -17.4 15.0 91 120 A S S S- 0 0 1 41,-1.7 43,-0.4 -2,-0.6 2,-0.3 -0.847 83.3 -55.9-162.4-168.4 19.5 -18.0 11.4 92 121 A H - 0 0 23 -2,-0.2 7,-1.9 41,-0.2 2,-0.3 -0.705 49.7-165.2 -86.6 148.9 22.3 -18.8 9.0 93 122 A G - 0 0 16 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.917 14.0-170.8-146.3 115.8 25.2 -16.3 9.0 94 123 A E > - 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