==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-10 3NR2 . COMPND 2 MOLECULE: CASPASE-6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-D.SU,X.-J.WANG,X.LIU,W.MI,K.-T.WANG . 463 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 70.6 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 . 50 10.8 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 . 37 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 0 4 2 0 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 . 2 4 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 31 A F 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.4 -32.5 -67.1 8.4 2 32 A D > - 0 0 81 1,-0.1 3,-0.8 436,-0.0 0, 0.0 -0.900 360.0-158.2-113.0 127.0 -29.5 -65.1 9.7 3 33 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 435,-0.1 0.717 96.6 46.1 -72.6 -18.2 -29.0 -61.4 8.9 4 34 A A T 3 S+ 0 0 49 2,-0.0 223,-0.0 223,-0.0 224,-0.0 0.167 78.6 140.9-113.9 15.0 -25.2 -61.7 9.5 5 35 A E < - 0 0 67 -3,-0.8 223,-1.7 1,-0.1 2,-0.3 -0.258 34.7-159.3 -50.4 138.7 -24.6 -64.8 7.5 6 36 A K B -a 228 0A 110 221,-0.2 2,-0.3 223,-0.0 223,-0.2 -0.768 24.4 -91.1-121.6 166.9 -21.3 -64.6 5.6 7 37 A Y - 0 0 9 221,-2.7 2,-0.7 -2,-0.3 223,-0.2 -0.599 51.0-104.8 -70.1 138.7 -19.7 -66.3 2.5 8 38 A K + 0 0 61 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.576 46.5 170.8 -66.4 110.8 -17.7 -69.4 3.5 9 39 A M + 0 0 29 -2,-0.7 -1,-0.1 1,-0.1 73,-0.1 -0.142 47.0 96.8-117.2 35.3 -14.1 -68.3 3.2 10 40 A D + 0 0 134 71,-0.1 2,-0.1 72,-0.1 -1,-0.1 -0.387 50.4 128.5-121.3 52.3 -12.3 -71.2 4.8 11 41 A H S S- 0 0 52 2,-0.2 70,-0.1 -3,-0.1 69,-0.1 -0.428 75.5 -97.8 -95.0 175.9 -11.3 -73.3 1.8 12 42 A R S S+ 0 0 109 -2,-0.1 2,-0.3 68,-0.1 69,-0.2 0.900 109.2 24.4 -59.5 -43.5 -7.9 -74.7 0.9 13 43 A R B -b 81 0B 52 67,-2.6 69,-1.1 1,-0.1 -2,-0.2 -0.874 68.8-136.7-122.2 155.4 -7.2 -71.7 -1.4 14 44 A R - 0 0 6 38,-0.7 69,-1.8 -2,-0.3 2,-0.2 0.859 60.2-113.5 -77.0 -35.2 -8.5 -68.2 -1.6 15 45 A G - 0 0 0 37,-0.5 39,-2.1 67,-0.2 2,-0.4 -0.743 34.7 -50.7 131.8-176.4 -8.9 -68.4 -5.4 16 46 A I E -c 54 0C 13 67,-0.4 69,-2.2 -2,-0.2 2,-0.6 -0.764 32.0-156.8-101.5 140.3 -7.5 -66.9 -8.6 17 47 A A E -cd 55 85C 0 37,-2.3 39,-2.4 -2,-0.4 69,-0.2 -0.889 13.6-163.0-113.7 98.6 -7.1 -63.3 -9.5 18 48 A L E -cd 56 86C 0 67,-2.2 69,-1.5 -2,-0.6 2,-0.4 -0.521 5.1-169.8 -71.5 141.7 -7.0 -62.7 -13.2 19 49 A I E -cd 57 87C 0 37,-2.1 39,-2.3 -2,-0.2 2,-0.7 -0.960 9.5-166.1-137.3 122.4 -5.7 -59.4 -14.6 20 50 A F E -cd 58 88C 0 67,-1.9 69,-2.8 -2,-0.4 2,-0.6 -0.921 12.2-169.5-106.8 109.9 -5.9 -58.2 -18.2 21 51 A N E -cd 59 89C 2 37,-2.7 39,-3.4 -2,-0.7 2,-0.5 -0.893 5.1-175.0-104.8 124.3 -3.7 -55.3 -18.7 22 52 A H + 0 0 2 67,-1.8 3,-0.1 -2,-0.6 37,-0.1 -0.938 19.8 152.5-124.0 109.3 -4.0 -53.4 -22.0 23 53 A E + 0 0 25 -2,-0.5 11,-2.4 1,-0.3 2,-0.3 0.791 68.3 20.3-102.2 -40.7 -1.5 -50.6 -22.7 24 54 A R - 0 0 97 9,-0.2 2,-0.3 10,-0.1 -1,-0.3 -0.901 64.7-155.7-131.7 162.7 -1.4 -50.5 -26.5 25 55 A F - 0 0 20 -2,-0.3 76,-0.2 6,-0.3 75,-0.1 -0.876 38.4 -72.2-133.0 162.0 -3.6 -51.7 -29.4 26 56 A F > - 0 0 69 74,-2.9 3,-1.1 -2,-0.3 4,-0.4 -0.216 51.3-122.6 -48.4 143.8 -3.4 -52.7 -33.1 27 57 A W G > S+ 0 0 179 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.773 104.1 64.5 -79.0 -22.0 -2.8 -49.5 -35.0 28 58 A H G 3 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.169 93.4 68.8 -81.8 21.6 -5.9 -49.5 -37.4 29 59 A L G < S- 0 0 47 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.647 91.6-148.4-102.3 -31.6 -7.9 -49.1 -34.2 30 60 A T < + 0 0 129 -3,-0.8 -3,-0.1 -4,-0.4 -2,-0.1 0.920 40.1 152.1 67.8 43.8 -6.6 -45.6 -33.6 31 61 A L - 0 0 46 -5,-0.4 -6,-0.3 -6,-0.1 -1,-0.2 -0.853 48.2-111.1-109.1 142.3 -6.8 -45.8 -29.8 32 62 A P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 103,-0.1 -0.351 34.5-111.5 -65.0 150.9 -4.5 -43.9 -27.4 33 63 A E - 0 0 102 -9,-0.1 2,-0.3 1,-0.1 -9,-0.2 -0.441 26.1-124.4 -69.6 162.5 -2.0 -45.9 -25.5 34 64 A R > - 0 0 4 -11,-2.4 3,-2.3 -2,-0.1 4,-0.2 -0.446 28.6-166.2-110.8 57.3 -2.8 -46.1 -21.8 35 65 A R T 3 S+ 0 0 146 -2,-0.3 107,-0.2 1,-0.3 141,-0.1 -0.152 74.8 31.7 -42.0 121.7 0.4 -44.7 -20.2 36 66 A G T >> S+ 0 0 7 138,-0.1 4,-1.3 139,-0.1 3,-0.9 0.169 78.3 113.4 114.3 -15.9 0.3 -45.5 -16.5 37 67 A T H <> + 0 0 0 -3,-2.3 4,-2.4 1,-0.2 -2,-0.1 0.610 69.4 69.4 -63.7 -9.2 -1.7 -48.7 -16.6 38 68 A C H 3> S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 94.8 49.4 -79.5 -39.6 1.5 -50.5 -15.4 39 69 A A H <> S+ 0 0 31 -3,-0.9 4,-2.9 2,-0.2 5,-0.2 0.906 111.6 53.4 -61.4 -38.5 1.4 -49.0 -12.0 40 70 A D H X S+ 0 0 2 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.983 109.8 45.5 -57.8 -61.1 -2.2 -50.1 -11.9 41 71 A R H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.896 118.1 43.5 -44.0 -52.5 -1.3 -53.7 -12.9 42 72 A D H X S+ 0 0 86 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.827 112.7 51.1 -72.5 -35.6 1.5 -53.9 -10.4 43 73 A N H X S+ 0 0 49 -4,-2.9 4,-1.9 -5,-0.2 5,-0.2 0.957 111.8 46.6 -65.2 -52.1 -0.4 -52.2 -7.5 44 74 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.904 110.4 55.3 -53.8 -44.1 -3.4 -54.5 -7.8 45 75 A T H X S+ 0 0 33 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.886 105.7 49.6 -66.3 -36.8 -1.0 -57.5 -8.0 46 76 A R H >X S+ 0 0 46 -4,-1.8 4,-1.9 1,-0.2 3,-0.6 0.986 115.3 44.1 -57.9 -55.6 0.7 -56.6 -4.7 47 77 A R H 3X S+ 0 0 68 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.814 111.0 51.5 -63.5 -37.2 -2.6 -56.2 -2.8 48 78 A F H 3<>S+ 0 0 3 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.743 109.7 50.1 -77.5 -20.9 -4.3 -59.3 -4.2 49 79 A S H X<5S+ 0 0 54 -4,-1.2 3,-1.9 -3,-0.6 -2,-0.2 0.862 104.2 59.3 -77.0 -37.6 -1.4 -61.5 -3.3 50 80 A D H 3<5S+ 0 0 125 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.767 105.2 50.8 -60.6 -23.2 -1.5 -60.0 0.2 51 81 A L T 3<5S- 0 0 21 -4,-0.8 -1,-0.3 182,-0.1 -2,-0.2 0.451 127.5 -99.4 -95.6 -3.1 -5.0 -61.3 0.5 52 82 A G T < 5S+ 0 0 42 -3,-1.9 -38,-0.7 1,-0.3 -37,-0.5 0.598 73.4 140.2 101.3 12.7 -4.1 -64.8 -0.6 53 83 A F < - 0 0 11 -5,-2.4 2,-1.0 -39,-0.2 -1,-0.3 -0.560 56.1-124.6 -85.3 151.5 -5.0 -64.8 -4.3 54 84 A E E -c 16 0C 75 -39,-2.1 -37,-2.3 -2,-0.2 2,-0.1 -0.877 36.0-149.4 -91.2 101.2 -3.0 -66.4 -7.0 55 85 A V E -c 17 0C 31 -2,-1.0 2,-0.3 -39,-0.2 -37,-0.2 -0.448 16.8-173.1 -73.2 144.0 -2.5 -63.4 -9.2 56 86 A K E -c 18 0C 88 -39,-2.4 -37,-2.1 -2,-0.1 2,-0.4 -0.790 5.7-170.0-140.7 98.7 -2.2 -64.0 -13.0 57 87 A C E -c 19 0C 44 -2,-0.3 2,-0.4 -39,-0.2 -37,-0.2 -0.723 5.2-176.0 -92.9 137.6 -1.4 -61.0 -15.2 58 88 A F E -c 20 0C 44 -39,-2.3 -37,-2.7 -2,-0.4 2,-0.5 -0.977 14.6-144.1-124.7 142.4 -1.5 -60.9 -19.0 59 89 A N E -c 21 0C 68 -2,-0.4 -37,-0.2 -39,-0.2 -39,-0.1 -0.929 66.3 -24.2-115.9 125.9 -0.4 -57.9 -21.1 60 90 A D S S+ 0 0 35 -39,-3.4 -1,-0.1 -2,-0.5 -38,-0.1 0.723 79.1 178.2 57.8 27.0 -2.0 -56.8 -24.4 61 91 A L - 0 0 22 -40,-0.3 39,-2.5 1,-0.1 2,-0.2 -0.146 26.1-118.0 -54.0 155.0 -3.4 -60.2 -25.3 62 92 A K > - 0 0 95 37,-0.2 4,-3.5 38,-0.2 5,-0.3 -0.531 30.9 -98.3 -89.4 164.6 -5.4 -60.5 -28.5 63 93 A V H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 125.1 46.3 -47.0 -47.4 -9.1 -61.5 -28.7 64 94 A E H > S+ 0 0 152 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 115.2 45.7 -69.2 -41.7 -8.2 -65.1 -29.5 65 95 A E H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 113.0 51.3 -63.6 -44.7 -5.5 -65.3 -26.8 66 96 A L H X S+ 0 0 3 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.897 108.4 50.2 -60.5 -45.0 -7.8 -63.7 -24.2 67 97 A L H X S+ 0 0 51 -4,-2.3 4,-2.4 -5,-0.3 5,-0.3 0.894 110.1 52.2 -61.3 -40.5 -10.7 -66.1 -24.9 68 98 A L H X S+ 0 0 112 -4,-1.6 4,-2.9 -5,-0.2 3,-0.3 0.988 110.7 45.5 -58.6 -63.2 -8.4 -69.0 -24.5 69 99 A K H X S+ 0 0 71 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.928 115.2 47.5 -43.0 -57.9 -7.0 -68.0 -21.2 70 100 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.812 113.3 45.3 -66.2 -34.0 -10.4 -67.1 -19.8 71 101 A H H X S+ 0 0 96 -4,-2.4 4,-1.2 -3,-0.3 -1,-0.3 0.873 107.7 62.4 -68.0 -36.5 -12.1 -70.3 -20.9 72 102 A E H >X S+ 0 0 118 -4,-2.9 4,-1.3 -5,-0.3 3,-0.6 0.949 110.6 37.8 -53.7 -49.6 -9.0 -72.1 -19.6 73 103 A V H 3< S+ 0 0 16 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.904 107.5 61.2 -68.5 -45.0 -9.8 -70.8 -16.1 74 104 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.703 111.3 44.5 -57.0 -16.4 -13.6 -71.1 -16.2 75 105 A T H << S+ 0 0 104 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.781 87.8 90.4-103.9 -32.9 -13.1 -74.9 -16.7 76 106 A V S < S- 0 0 66 -4,-1.3 44,-0.1 -3,-0.2 2,-0.0 -0.394 93.8 -91.0 -60.7 144.3 -10.4 -75.8 -14.1 77 107 A S - 0 0 76 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.301 38.7-178.9 -67.1 143.3 -12.0 -76.8 -10.9 78 108 A H > + 0 0 0 -4,-0.1 3,-2.3 -3,-0.1 -1,-0.1 0.146 48.1 115.8-121.4 11.2 -12.6 -74.2 -8.2 79 109 A A T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -68,-0.0 -2,-0.0 0.694 79.9 48.8 -56.9 -22.9 -14.2 -76.6 -5.6 80 110 A D T 3 S+ 0 0 67 -69,-0.1 -67,-2.6 -3,-0.1 2,-0.3 0.129 99.6 89.4-105.2 18.3 -11.2 -75.9 -3.2 81 111 A A B < -b 13 0B 0 -3,-2.3 -67,-0.2 39,-0.2 -66,-0.2 -0.872 66.4-142.3-121.3 152.1 -11.4 -72.1 -3.6 82 112 A D S S- 0 0 1 -69,-1.1 2,-0.3 -2,-0.3 -67,-0.2 0.935 74.5 -32.6 -71.1 -48.7 -13.2 -69.3 -1.8 83 113 A C - 0 0 0 -69,-1.8 -67,-0.4 41,-0.2 2,-0.4 -0.939 56.3-107.8-164.9 172.2 -14.0 -67.0 -4.7 84 114 A F E - e 0 126C 0 41,-1.9 43,-2.8 -2,-0.3 2,-0.4 -0.932 23.1-164.9-120.8 143.7 -13.0 -65.7 -8.1 85 115 A V E -de 17 127C 2 -69,-2.2 -67,-2.2 -2,-0.4 2,-0.4 -0.989 5.2-177.2-131.9 132.6 -11.6 -62.3 -9.2 86 116 A C E -de 18 128C 0 41,-3.3 43,-3.0 -2,-0.4 2,-0.4 -0.976 2.9-170.7-125.8 135.9 -11.2 -60.6 -12.6 87 117 A V E -de 19 129C 0 -69,-1.5 -67,-1.9 -2,-0.4 2,-0.4 -0.969 1.9-168.7-122.8 139.7 -9.8 -57.3 -13.5 88 118 A F E -de 20 130C 2 41,-2.3 43,-2.1 -2,-0.4 2,-0.5 -0.991 4.1-177.9-125.4 124.1 -9.8 -55.5 -16.8 89 119 A L E +de 21 131C 0 -69,-2.8 -67,-1.8 -2,-0.4 2,-0.3 -0.925 44.6 82.3-118.0 105.0 -7.8 -52.5 -17.5 90 120 A S E S- e 0 132C 2 41,-2.0 43,-0.6 -2,-0.5 2,-0.2 -0.915 77.5 -56.4-173.6-166.9 -8.4 -51.2 -21.0 91 121 A H E - 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