==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS, HYDROLASE 03-JUL-12 4FXO . COMPND 2 MOLECULE: CASPASE-6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.M.VELAZQUEZ-DELGADO,J.A.HARDY . 885 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 4.5 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 0.5 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 . 114 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 4 1 0 0 1 0 2 0 2 2 4 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 8 4 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 . 6 0 2 4 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 0 0 0 0 0 0 0 0 0 2 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 27 A K 0 0 141 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.1 24.2 -22.8 19.0 2 28 A R + 0 0 109 1,-0.3 2,-0.4 2,-0.0 0, 0.0 0.703 360.0 15.9-110.5 -42.7 25.2 -20.7 22.0 3 29 A E S S- 0 0 96 3,-0.0 -1,-0.3 461,-0.0 3,-0.1 -0.937 81.5-164.9-136.0 113.4 23.4 -17.4 21.3 4 30 A M - 0 0 148 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 0.232 44.9 -16.1 -86.0-156.1 20.6 -17.6 18.7 5 31 A F - 0 0 87 1,-0.1 -1,-0.2 2,-0.1 3,-0.0 -0.117 57.5-158.7 -54.6 132.4 18.6 -15.0 16.6 6 32 A D > - 0 0 47 -3,-0.1 3,-1.0 1,-0.1 -1,-0.1 -0.960 14.3-155.5-119.7 115.8 18.8 -11.5 17.9 7 33 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 408,-0.1 0.618 97.0 39.8 -60.4 -15.7 16.1 -8.9 16.9 8 34 A A T 3 S+ 0 0 9 452,-0.1 2,-0.3 2,-0.0 452,-0.2 -0.358 76.2 157.1-135.1 54.9 18.7 -6.1 17.5 9 35 A E < - 0 0 71 -3,-1.0 205,-3.4 203,-0.2 2,-0.3 -0.637 22.8-159.3 -80.1 136.5 22.0 -7.3 16.2 10 36 A K B -a 214 0A 29 -2,-0.3 205,-0.2 203,-0.3 2,-0.1 -0.853 26.8 -97.9-114.2 151.0 24.5 -4.5 15.2 11 37 A Y - 0 0 6 203,-2.4 205,-0.3 -2,-0.3 2,-0.3 -0.464 52.0 -99.6 -61.7 135.9 27.5 -4.6 13.0 12 38 A K - 0 0 30 -2,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.440 39.1-177.9 -63.8 122.3 30.7 -5.1 15.0 13 39 A M + 0 0 27 -2,-0.3 -1,-0.1 1,-0.2 67,-0.1 -0.112 57.3 96.1-113.4 33.7 32.4 -1.7 15.5 14 40 A D + 0 0 99 65,-0.1 -1,-0.2 66,-0.1 4,-0.1 0.202 51.0 123.1-110.3 12.4 35.4 -3.0 17.4 15 41 A H S S- 0 0 53 -3,-0.2 65,-0.2 2,-0.1 64,-0.1 -0.310 79.5 -99.4 -70.5 160.4 37.8 -3.3 14.5 16 42 A R S S+ 0 0 200 61,-0.1 2,-0.3 63,-0.1 63,-0.2 0.856 104.3 17.1 -52.2 -45.8 41.2 -1.4 14.6 17 43 A R E -b 79 0B 89 61,-2.9 63,-0.9 1,-0.1 -2,-0.1 -0.847 69.3-129.5-122.7 161.3 39.9 1.5 12.5 18 44 A R E - 0 0 3 38,-0.8 63,-2.2 -2,-0.3 2,-0.3 0.848 61.2-126.2 -74.7 -36.4 36.5 2.7 11.5 19 45 A G E -b 81 0B 3 37,-0.4 39,-2.7 61,-0.2 2,-0.5 -0.816 34.9 -32.4 128.1-164.1 37.6 2.8 7.8 20 46 A I E -bc 82 58B 17 61,-0.5 63,-2.4 -2,-0.3 2,-0.9 -0.830 33.3-160.3-100.7 127.7 37.8 5.1 4.8 21 47 A A E -bc 83 59B 0 37,-1.2 39,-1.1 -2,-0.5 2,-0.3 -0.798 22.2-161.8-100.1 85.3 35.3 7.8 4.1 22 48 A L E -bc 84 60B 2 61,-2.6 63,-3.4 -2,-0.9 2,-0.4 -0.534 2.3-159.5 -71.1 126.4 36.0 8.3 0.4 23 49 A I E -bc 85 61B 0 37,-3.3 39,-1.6 -2,-0.3 2,-0.5 -0.937 7.4-172.3-110.7 133.1 34.7 11.5 -1.1 24 50 A F E -bc 86 62B 7 61,-3.3 63,-4.5 -2,-0.4 2,-0.7 -0.951 6.8-168.4-131.6 108.3 34.2 11.8 -4.8 25 51 A N E -bc 87 63B 1 37,-0.5 39,-1.0 -2,-0.5 2,-0.6 -0.884 19.6-139.6-101.7 112.8 33.3 15.1 -6.5 26 52 A H + 0 0 1 61,-4.0 63,-0.4 -2,-0.7 37,-0.1 -0.586 47.3 139.9 -75.0 110.6 32.2 14.6 -10.1 27 53 A E > + 0 0 38 -2,-0.6 3,-0.8 61,-0.1 -1,-0.2 0.259 30.3 114.8-131.8 4.6 33.8 17.5 -12.1 28 54 A R T 3 S+ 0 0 13 1,-0.3 2,-0.3 68,-0.1 68,-0.1 0.893 86.7 13.8 -54.6 -62.3 34.8 15.6 -15.3 29 55 A F T 3 S+ 0 0 94 67,-0.1 2,-0.5 64,-0.1 64,-0.4 -0.541 89.0 129.7-120.3 65.9 32.7 17.1 -18.1 30 56 A F < - 0 0 29 -3,-0.8 2,-0.3 -2,-0.3 3,-0.1 -0.978 35.8-160.3-124.4 123.6 31.2 20.3 -16.7 31 57 A W + 0 0 156 -2,-0.5 2,-0.1 1,-0.3 62,-0.1 -0.930 58.7 13.8-161.2 136.8 31.3 23.7 -18.4 32 58 A H S S- 0 0 170 -2,-0.3 -1,-0.3 1,-0.1 2,-0.3 0.668 70.7-166.9 -94.6 179.1 31.0 26.4 -17.6 33 59 A L - 0 0 66 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.802 4.0-154.5-120.1 157.3 31.2 26.8 -13.8 34 60 A T >> - 0 0 92 -2,-0.3 4,-3.1 1,-0.1 3,-0.5 -0.928 29.3-114.8-131.7 158.1 30.3 29.6 -11.4 35 61 A L H 3> S+ 0 0 135 -2,-0.3 4,-2.1 1,-0.2 5,-0.4 0.782 112.4 62.1 -65.3 -31.9 31.5 30.7 -7.9 36 62 A P H 34 S+ 0 0 73 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.927 118.1 30.1 -53.1 -45.7 28.0 30.0 -6.3 37 63 A E H <> S+ 0 0 17 -3,-0.5 4,-2.7 3,-0.2 -2,-0.2 0.825 118.4 57.2 -82.5 -35.6 28.4 26.4 -7.3 38 64 A R H X S+ 0 0 27 -4,-3.1 4,-1.5 2,-0.2 -3,-0.2 0.953 117.3 31.1 -63.4 -55.4 32.2 26.2 -7.1 39 65 A R H X S+ 0 0 169 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.659 117.1 62.6 -77.1 -17.0 32.5 27.3 -3.4 40 66 A G H > S+ 0 0 0 -5,-0.4 4,-1.4 -4,-0.3 -2,-0.2 0.891 105.2 43.3 -71.1 -43.5 29.2 25.6 -2.9 41 67 A T H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.856 113.3 53.8 -67.9 -36.9 30.6 22.2 -3.8 42 68 A C H X S+ 0 0 24 -4,-1.5 4,-3.2 -5,-0.2 5,-0.2 0.886 105.5 53.6 -60.1 -41.3 33.6 23.1 -1.7 43 69 A A H X S+ 0 0 25 -4,-1.8 4,-1.4 119,-0.2 -2,-0.2 0.841 109.8 47.9 -63.8 -35.9 31.3 23.8 1.2 44 70 A D H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.935 115.6 43.3 -67.3 -49.0 29.7 20.3 0.8 45 71 A R H X S+ 0 0 48 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.900 115.4 48.4 -64.8 -44.2 33.1 18.6 0.6 46 72 A D H X S+ 0 0 108 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.830 114.0 47.9 -64.7 -33.8 34.6 20.7 3.5 47 73 A N H X S+ 0 0 50 -4,-1.4 4,-1.2 -5,-0.2 -2,-0.2 0.861 112.2 47.1 -77.1 -38.3 31.5 20.0 5.6 48 74 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.878 108.9 56.1 -68.9 -40.1 31.4 16.2 5.0 49 75 A T H X S+ 0 0 43 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.931 109.1 44.6 -58.1 -50.2 35.1 15.8 5.7 50 76 A R H X S+ 0 0 48 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.807 114.2 50.6 -67.2 -31.4 34.9 17.4 9.2 51 77 A R H X S+ 0 0 68 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.879 113.9 42.4 -75.1 -40.5 31.8 15.3 10.0 52 78 A F H <>S+ 0 0 1 -4,-2.4 5,-2.5 2,-0.2 -2,-0.2 0.788 111.1 56.4 -76.1 -28.6 33.2 12.0 9.0 53 79 A S H ><5S+ 0 0 63 -4,-2.1 3,-0.7 -5,-0.3 -1,-0.2 0.809 104.8 54.3 -68.2 -31.0 36.6 12.9 10.6 54 80 A D H 3<5S+ 0 0 120 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.820 103.9 54.2 -68.7 -33.5 34.6 13.4 13.9 55 81 A L T 3<5S- 0 0 14 -4,-0.9 -1,-0.2 164,-0.1 -2,-0.2 0.431 128.3 -96.3 -84.9 0.7 33.1 9.9 13.6 56 82 A G T < 5S+ 0 0 40 -3,-0.7 -38,-0.8 1,-0.3 -37,-0.4 0.657 74.4 146.7 97.8 20.6 36.6 8.4 13.3 57 83 A F < - 0 0 14 -5,-2.5 2,-0.9 -39,-0.2 -1,-0.3 -0.581 51.1-130.4 -90.6 149.2 37.0 8.0 9.6 58 84 A E E -c 20 0B 113 -39,-2.7 -37,-1.2 -2,-0.2 2,-0.4 -0.867 35.6-147.5 -93.9 102.6 40.1 8.4 7.5 59 85 A V E +c 21 0B 38 -2,-0.9 2,-0.4 -39,-0.2 -37,-0.2 -0.578 23.6 174.0 -84.4 127.5 38.9 10.8 4.8 60 86 A K E -c 22 0B 45 -39,-1.1 -37,-3.3 -2,-0.4 2,-0.4 -0.998 4.2-178.5-128.3 127.9 40.2 10.7 1.2 61 87 A C E +c 23 0B 61 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.992 1.5 178.5-128.7 129.7 38.8 12.8 -1.6 62 88 A F E -c 24 0B 70 -39,-1.6 -37,-0.5 -2,-0.4 2,-0.2 -0.994 23.5-133.9-132.0 131.2 39.8 12.9 -5.2 63 89 A N E > -c 25 0B 63 -2,-0.4 3,-0.8 -39,-0.1 -37,-0.1 -0.541 18.3-133.4 -74.3 145.8 38.5 14.9 -8.2 64 90 A D T 3 S+ 0 0 32 -39,-1.0 -1,-0.1 1,-0.2 -38,-0.1 0.381 96.2 76.2 -87.5 4.5 37.9 12.9 -11.3 65 91 A L T 3 0 0 114 1,-0.0 -1,-0.2 -36,-0.0 -39,-0.0 0.757 360.0 360.0 -79.3 -27.9 39.7 15.4 -13.6 66 92 A K < 0 0 135 -3,-0.8 -2,-0.2 0, 0.0 -1,-0.0 0.973 360.0 360.0 -77.4 360.0 43.0 14.1 -12.4 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 100 A I > 0 0 90 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -27.3 40.6 4.4 -7.1 69 101 A H H > + 0 0 60 2,-0.2 4,-4.0 1,-0.2 5,-0.4 0.970 360.0 55.4 -69.6 -55.1 42.2 0.9 -7.2 70 102 A E H > S+ 0 0 147 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.758 110.6 48.0 -49.3 -30.4 44.3 1.4 -4.1 71 103 A V H 4 S+ 0 0 17 2,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.902 122.0 33.0 -77.5 -43.9 41.1 2.3 -2.2 72 104 A S H < S+ 0 0 20 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.661 124.5 47.2 -83.7 -18.8 39.2 -0.7 -3.6 73 105 A T H < S+ 0 0 78 -4,-4.0 -3,-0.2 -5,-0.1 -2,-0.2 0.775 91.3 88.8 -95.3 -32.2 42.3 -3.0 -3.7 74 106 A V S < S- 0 0 79 -4,-1.4 44,-0.1 -5,-0.4 2,-0.0 -0.424 87.8 -97.6 -71.8 144.4 43.8 -2.3 -0.2 75 107 A S - 0 0 66 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.284 29.8-174.8 -66.8 142.7 42.6 -4.5 2.6 76 108 A H > + 0 0 2 1,-0.1 3,-2.4 3,-0.1 -1,-0.1 0.074 49.5 118.1-120.9 18.5 39.9 -3.4 5.0 77 109 A A T 3 S+ 0 0 56 1,-0.3 -61,-0.1 -62,-0.0 -1,-0.1 0.725 80.1 49.9 -59.3 -22.2 40.1 -6.4 7.4 78 110 A D T 3 S+ 0 0 46 -63,-0.1 -61,-2.9 -3,-0.1 -1,-0.3 0.379 102.1 86.9 -94.5 1.8 41.1 -3.9 10.1 79 111 A A E < -b 17 0B 0 -3,-2.4 -61,-0.2 -63,-0.2 -60,-0.2 -0.695 66.3-145.1-110.6 155.5 38.1 -1.6 9.4 80 112 A D E S- 0 0 2 -63,-0.9 2,-0.2 -62,-0.3 -61,-0.2 0.909 74.8 -29.1 -77.3 -47.6 34.5 -1.4 10.5 81 113 A C E -b 19 0B 0 -63,-2.2 -61,-0.5 41,-0.1 2,-0.4 -0.874 55.6-107.6-158.2 179.4 32.9 -0.2 7.2 82 114 A F E -bd 20 124B 0 41,-2.0 43,-3.0 -2,-0.2 2,-0.4 -0.997 22.3-168.9-130.2 130.4 33.3 1.8 4.0 83 115 A V E -bd 21 125B 1 -63,-2.4 -61,-2.6 -2,-0.4 2,-0.4 -0.972 4.2-178.4-117.8 130.6 31.8 5.1 3.2 84 116 A C E -bd 22 126B 2 41,-3.0 43,-1.9 -2,-0.4 2,-0.5 -0.947 7.9-163.3-130.3 112.8 31.8 6.7 -0.3 85 117 A V E -bd 23 127B 0 -63,-3.4 -61,-3.3 -2,-0.4 2,-0.6 -0.837 4.4-159.4 -96.9 125.7 30.3 10.1 -0.9 86 118 A F E -bd 24 128B 4 41,-4.1 43,-1.6 -2,-0.5 2,-0.4 -0.925 9.1-167.8-106.4 117.2 29.5 11.0 -4.5 87 119 A L E +b 25 0B 0 -63,-4.5 -61,-4.0 -2,-0.6 2,-0.3 -0.879 10.4 172.0-108.4 137.4 29.2 14.8 -5.2 88 120 A S - 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