==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAR-11 3R5K . COMPND 2 MOLECULE: CASPASE-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.A.WITKOWSKI,J.A.HARDY . 471 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 8.3 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 . 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 . 1 0.2 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 . 36 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 22.7 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 0 0 0 0 1 0 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 0 4 2 2 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 . 2 4 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 . 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 0 140 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 16.6 15.7 -28.3 14.1 2 58 A Y + 0 0 124 2,-0.1 228,-3.5 227,-0.1 2,-0.3 0.226 360.0 62.1-106.6 -1.3 19.1 -27.5 15.5 3 59 A Q B S-a 230 0A 88 226,-0.3 2,-0.3 228,-0.0 228,-0.2 -0.851 95.2-105.7-117.9 152.3 20.2 -29.7 12.7 4 60 A Y - 0 0 10 226,-2.5 2,-0.4 -2,-0.3 228,-0.3 -0.629 49.4-105.8 -68.0 134.9 20.0 -29.5 8.9 5 61 A N - 0 0 102 -2,-0.3 -1,-0.1 1,-0.1 230,-0.1 -0.525 35.4-176.0 -64.1 117.9 17.4 -32.0 7.8 6 62 A M + 0 0 28 -2,-0.4 2,-1.8 229,-0.2 -1,-0.1 0.199 44.6 119.1-100.9 16.6 19.0 -35.0 6.1 7 63 A N + 0 0 131 72,-0.1 2,-0.3 71,-0.1 -1,-0.1 -0.522 43.4 111.6 -87.8 77.3 15.8 -36.8 5.2 8 64 A F S S- 0 0 65 -2,-1.8 71,-0.1 1,-0.1 69,-0.1 -0.973 77.0-117.0-143.7 151.0 16.2 -36.8 1.4 9 65 A E S S+ 0 0 162 -2,-0.3 2,-0.4 1,-0.1 69,-0.1 0.826 103.9 40.6 -66.7 -24.1 16.8 -39.6 -1.1 10 66 A K B -b 78 0B 92 67,-2.3 69,-1.8 1,-0.2 70,-0.1 -0.953 62.9-151.8-120.4 144.8 20.2 -38.0 -1.9 11 67 A L - 0 0 26 38,-0.6 69,-2.5 -2,-0.4 68,-0.3 0.946 65.7-111.0 -67.6 -48.0 22.8 -36.4 0.2 12 68 A G E -c 50 0C 1 37,-0.6 39,-2.6 67,-0.2 2,-0.4 -0.833 33.8 -48.5 146.8-174.9 23.6 -34.3 -2.8 13 69 A K E -c 51 0C 36 67,-0.4 69,-2.2 -2,-0.3 2,-0.5 -0.674 37.0-164.6 -89.6 136.3 26.1 -33.5 -5.6 14 70 A C E -cd 52 82C 0 37,-2.9 39,-2.3 -2,-0.4 2,-0.6 -0.950 4.7-160.7-125.2 119.8 29.7 -32.9 -5.1 15 71 A I E -cd 53 83C 3 67,-1.9 69,-3.4 -2,-0.5 2,-0.6 -0.823 2.6-162.2 -97.1 118.0 31.8 -31.3 -7.9 16 72 A I E -cd 54 84C 0 37,-3.3 39,-2.8 -2,-0.6 2,-0.8 -0.889 2.4-165.5 -99.8 121.9 35.6 -31.7 -7.8 17 73 A I E -cd 55 85C 0 67,-3.4 69,-2.8 -2,-0.6 2,-1.0 -0.866 6.7-172.0-104.1 104.6 37.6 -29.2 -9.9 18 74 A N E -cd 56 86C 3 37,-2.1 39,-1.6 -2,-0.8 2,-0.7 -0.696 2.6-175.0-100.3 83.3 41.1 -30.7 -10.2 19 75 A N + 0 0 1 67,-2.5 3,-0.1 -2,-1.0 37,-0.1 -0.699 25.1 139.7 -88.8 112.1 43.3 -28.0 -11.9 20 76 A K + 0 0 47 -2,-0.7 11,-1.3 1,-0.3 2,-0.4 0.757 53.9 53.6-120.1 -48.2 46.8 -29.4 -12.5 21 77 A N - 0 0 76 9,-0.2 2,-0.4 10,-0.1 -1,-0.3 -0.854 67.9-160.9-102.8 135.7 48.2 -28.3 -15.9 22 78 A F - 0 0 27 -2,-0.4 76,-0.2 6,-0.3 75,-0.1 -0.938 25.5-101.4-126.1 136.1 48.3 -24.6 -16.8 23 79 A D >>> - 0 0 58 74,-2.0 3,-0.7 -2,-0.4 5,-0.5 -0.231 38.2-116.7 -42.6 132.0 48.5 -22.7 -20.1 24 80 A K G >45S+ 0 0 199 1,-0.2 3,-2.4 2,-0.2 -1,-0.1 0.890 110.1 66.7 -39.6 -53.9 52.1 -21.4 -20.6 25 81 A V G 345S+ 0 0 134 1,-0.3 -1,-0.2 2,-0.1 73,-0.1 0.845 90.1 60.5 -31.8 -62.7 50.8 -17.8 -20.4 26 82 A T G <45S- 0 0 24 -3,-0.7 -1,-0.3 71,-0.3 -2,-0.2 0.683 97.5-138.6 -50.3 -23.7 49.7 -17.9 -16.7 27 83 A G T <<5 + 0 0 64 -3,-2.4 2,-0.4 -4,-0.5 -1,-0.2 0.644 52.9 145.5 72.1 17.1 53.4 -18.6 -15.8 28 84 A M < - 0 0 57 -5,-0.5 -6,-0.3 1,-0.1 -1,-0.2 -0.702 44.0-128.6 -98.1 135.8 52.1 -21.2 -13.3 29 85 A G - 0 0 49 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.116 34.2 -85.4 -65.2-178.4 53.9 -24.5 -12.5 30 86 A V - 0 0 74 -9,-0.1 2,-0.9 1,-0.0 -9,-0.2 -0.709 34.8-131.7 -87.4 145.8 52.5 -28.0 -12.5 31 87 A R > - 0 0 0 -11,-1.3 3,-1.8 -2,-0.3 4,-0.3 -0.616 24.2-167.3-101.2 72.6 50.8 -29.1 -9.3 32 88 A N T 3 S+ 0 0 87 -2,-0.9 136,-0.1 1,-0.2 138,-0.1 -0.325 73.8 34.6 -52.9 136.8 52.3 -32.5 -8.5 33 89 A G T 3> S+ 0 0 8 135,-0.1 4,-2.2 137,-0.1 -1,-0.2 -0.036 84.3 103.2 105.2 -29.1 50.2 -34.2 -5.8 34 90 A T H <> S+ 0 0 0 -3,-1.8 4,-3.2 1,-0.2 5,-0.2 0.840 77.7 56.5 -61.3 -32.2 46.8 -32.8 -6.8 35 91 A D H > S+ 0 0 78 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.943 107.3 49.4 -64.9 -45.3 45.8 -36.1 -8.4 36 92 A K H > S+ 0 0 127 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.911 112.3 47.8 -55.0 -45.7 46.5 -37.8 -5.1 37 93 A D H X S+ 0 0 3 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.986 111.9 50.2 -59.9 -54.4 44.4 -35.2 -3.3 38 94 A A H X S+ 0 0 7 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.887 110.6 48.6 -50.9 -47.1 41.6 -35.6 -5.8 39 95 A E H >X S+ 0 0 111 -4,-2.9 4,-2.1 2,-0.2 3,-1.0 0.981 112.1 48.9 -61.4 -50.3 41.5 -39.3 -5.5 40 96 A A H 3X S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.923 112.9 47.3 -50.4 -50.1 41.4 -39.2 -1.8 41 97 A L H 3X S+ 0 0 3 -4,-3.0 4,-1.8 1,-0.2 -1,-0.3 0.705 107.4 57.4 -69.6 -21.6 38.6 -36.6 -1.8 42 98 A F H S+ 0 0 2 -4,-1.8 5,-2.6 1,-0.2 4,-0.8 0.767 112.4 57.5 -72.8 -22.7 32.9 -37.8 -0.3 46 102 A R H ><5S+ 0 0 115 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.957 102.5 56.3 -66.2 -49.0 31.7 -40.9 -1.9 47 103 A S H 3<5S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.791 103.9 52.6 -47.1 -40.9 31.7 -42.6 1.6 48 104 A L H 3<5S- 0 0 14 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.768 126.6-104.3 -69.5 -26.3 29.5 -39.8 2.8 49 105 A G T <<5 + 0 0 30 -3,-1.3 -38,-0.6 -4,-0.8 -37,-0.6 0.586 67.8 151.4 109.7 18.2 27.1 -40.6 -0.0 50 106 A F E < -c 12 0C 0 -5,-2.6 2,-1.0 -39,-0.2 -1,-0.3 -0.584 51.5-125.2 -75.2 140.6 27.9 -37.7 -2.3 51 107 A D E -c 13 0C 73 -39,-2.6 -37,-2.9 -2,-0.3 2,-0.5 -0.801 41.3-160.5 -81.2 103.0 27.4 -38.1 -6.0 52 108 A V E -c 14 0C 15 -2,-1.0 2,-0.4 -39,-0.2 -37,-0.2 -0.769 18.9-179.3 -99.6 129.0 30.9 -37.0 -6.9 53 109 A I E -c 15 0C 61 -39,-2.3 -37,-3.3 -2,-0.5 2,-0.4 -0.990 12.9-151.6-122.4 134.5 32.1 -35.8 -10.3 54 110 A V E -c 16 0C 47 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.862 8.8-172.5-103.9 133.6 35.7 -34.8 -11.2 55 111 A Y E -c 17 0C 65 -39,-2.8 -37,-2.1 -2,-0.4 3,-0.3 -0.990 14.4-151.6-121.2 123.4 36.6 -32.3 -13.9 56 112 A N E -c 18 0C 95 -2,-0.4 -37,-0.2 1,-0.2 -39,-0.0 -0.622 62.9 -3.1 -97.7 155.1 40.3 -31.8 -14.8 57 113 A D S S+ 0 0 40 -39,-1.6 2,-0.4 -2,-0.2 -1,-0.2 0.844 77.8 177.8 32.2 63.4 42.2 -28.8 -16.1 58 114 A C - 0 0 0 -3,-0.3 39,-1.7 39,-0.0 -1,-0.2 -0.736 20.4-141.2 -88.0 141.3 39.2 -26.5 -16.5 59 115 A S > - 0 0 31 -2,-0.4 4,-2.1 37,-0.3 5,-0.1 -0.327 37.1 -87.3 -74.8 173.4 39.6 -23.0 -17.7 60 116 A C T 4 S+ 0 0 18 2,-0.2 2,-2.5 1,-0.2 -1,-0.2 -0.297 121.8 43.2 -63.1 172.3 37.6 -20.2 -16.2 61 117 A A T > S+ 0 0 61 1,-0.2 4,-1.9 -3,-0.1 -1,-0.2 -0.391 113.6 56.5 76.1 -62.2 34.4 -19.9 -18.1 62 118 A K H > S+ 0 0 93 -2,-2.5 4,-2.9 2,-0.2 5,-0.2 0.952 107.0 48.2 -58.5 -50.9 34.3 -23.7 -17.9 63 119 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.939 114.2 46.7 -52.0 -47.5 34.5 -23.4 -14.1 64 120 A Q H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.813 111.8 52.9 -61.2 -33.0 31.7 -20.8 -14.4 65 121 A D H X S+ 0 0 93 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.972 109.1 45.6 -73.4 -53.7 29.8 -23.1 -16.7 66 122 A L H X S+ 0 0 16 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.962 117.5 44.6 -44.9 -59.6 29.8 -26.1 -14.4 67 123 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.883 114.7 48.4 -64.7 -36.7 28.9 -24.1 -11.4 68 124 A K H X S+ 0 0 98 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.928 112.7 48.5 -64.2 -44.5 26.2 -22.2 -13.3 69 125 A K H >X S+ 0 0 127 -4,-3.2 3,-0.9 2,-0.2 4,-0.5 0.944 113.3 45.8 -63.3 -48.8 24.7 -25.4 -14.7 70 126 A A H >< S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.903 106.8 58.9 -62.1 -43.5 24.7 -27.2 -11.4 71 127 A S H 3< S+ 0 0 8 -4,-2.3 -1,-0.3 -5,-0.3 46,-0.2 0.812 109.4 47.1 -45.6 -33.7 23.2 -24.1 -9.7 72 128 A E H << S+ 0 0 124 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.499 93.1 97.8 -97.1 -9.4 20.4 -24.5 -12.2 73 129 A E S << S- 0 0 77 -3,-1.4 2,-0.6 -4,-0.5 44,-0.2 -0.079 87.5 -90.0 -69.0 178.6 19.8 -28.3 -11.7 74 130 A D + 0 0 109 1,-0.1 3,-0.2 42,-0.1 -1,-0.1 -0.858 43.4 169.6-101.2 118.6 17.1 -29.6 -9.4 75 131 A H > + 0 0 4 -2,-0.6 3,-3.7 1,-0.2 -1,-0.1 0.490 41.9 113.4-109.7 -4.3 18.2 -30.1 -5.8 76 132 A T T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -68,-0.0 -2,-0.0 0.732 85.2 40.9 -29.0 -46.7 14.7 -30.8 -4.3 77 133 A N T 3 S+ 0 0 76 -3,-0.2 -67,-2.3 -69,-0.1 2,-0.4 0.258 101.4 92.7 -96.0 10.9 15.7 -34.4 -3.4 78 134 A A B < -b 10 0B 2 -3,-3.7 -67,-0.2 39,-0.2 -66,-0.2 -0.845 63.9-150.5-106.6 140.6 19.2 -33.5 -2.3 79 135 A A S S- 0 0 4 -69,-1.8 2,-0.3 -2,-0.4 -67,-0.2 0.895 73.8 -25.7 -71.7 -39.3 20.1 -32.6 1.3 80 136 A C - 0 0 0 -69,-2.5 -67,-0.4 41,-0.1 2,-0.4 -0.910 59.0-112.9-161.6 176.1 23.0 -30.3 0.4 81 137 A F E - e 0 123C 0 41,-1.8 43,-3.3 -2,-0.3 2,-0.4 -0.989 22.6-174.4-130.4 146.7 25.6 -29.3 -2.2 82 138 A A E -de 14 124C 0 -69,-2.2 -67,-1.9 -2,-0.4 2,-0.4 -0.999 4.0-177.2-141.8 134.3 29.4 -29.4 -2.1 83 139 A C E -de 15 125C 0 41,-2.7 43,-2.0 -2,-0.4 2,-0.5 -0.978 9.4-158.3-128.5 144.8 32.1 -28.2 -4.5 84 140 A I E -de 16 126C 2 -69,-3.4 -67,-3.4 -2,-0.4 2,-0.6 -0.974 2.9-163.9-127.6 118.6 35.8 -28.7 -4.2 85 141 A L E -de 17 127C 3 41,-2.3 43,-1.9 -2,-0.5 2,-0.6 -0.897 7.1-178.8-104.1 116.4 38.4 -26.5 -5.9 86 142 A L E +de 18 128C 2 -69,-2.8 -67,-2.5 -2,-0.6 2,-0.2 -0.925 39.0 103.0-107.5 109.4 42.0 -27.6 -6.2 87 143 A S S S- 0 0 2 41,-1.8 43,-0.4 -2,-0.6 2,-0.3 -0.847 72.1 -64.6-157.2-172.9 44.1 -25.0 -8.0 88 144 A H - 0 0 32 -2,-0.2 7,-2.3 7,-0.2 2,-0.3 -0.655 58.0-171.2 -80.9 155.3 46.7 -22.1 -7.8 89 145 A G E -N 94 0D 6 -2,-0.3 43,-0.3 5,-0.2 2,-0.3 -0.985 28.1-180.0-150.3 157.3 45.5 -19.1 -5.9 90 146 A E E > -N 93 0D 95 3,-1.5 3,-1.3 -2,-0.3 42,-0.2 -0.863 63.5 -43.0-138.6 175.5 46.0 -15.5 -4.8 91 147 A E T 3 S- 0 0 103 40,-0.3 40,-0.1 -2,-0.3 41,-0.1 -0.180 121.5 -16.4 -45.2 113.9 43.8 -13.2 -2.6 92 148 A N T 3 S+ 0 0 132 1,-0.1 11,-1.8 10,-0.1 12,-0.5 0.228 123.5 73.6 84.5 -13.6 40.1 -13.6 -3.5 93 149 A V E < -NO 90 102D 33 -3,-1.3 -3,-1.5 9,-0.3 2,-0.3 -0.866 60.2-150.8-128.1 158.2 40.6 -15.3 -6.9 94 150 A I E -NO 89 101D 6 7,-4.1 7,-3.1 -2,-0.3 2,-0.3 -0.972 23.4-100.5-136.8 163.1 41.6 -18.7 -8.3 95 151 A Y E - 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