==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-10 2XYG . COMPND 2 MOLECULE: CASPASE-3 SUBUNIT P17; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GANESAN,S.JELAKOVIC,M.G.GRUTTER,P.R.MITTL . 237 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 7.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 1 2 0 1 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 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 29 A S 0 0 171 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.8 14.2 -5.7 58.6 2 30 A G - 0 0 63 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.013 360.0 -45.3 -73.5-176.8 17.9 -5.9 59.0 3 31 A I - 0 0 165 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.242 59.3-152.7 -52.8 129.4 20.4 -3.1 59.9 4 32 A S - 0 0 87 -3,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.940 13.1-175.4-114.5 121.2 19.6 0.0 58.0 5 33 A L - 0 0 127 -2,-0.5 2,-0.8 1,-0.0 3,-0.3 -0.962 13.6-159.2-116.2 127.1 22.3 2.6 57.2 6 34 A D + 0 0 110 -2,-0.5 4,-0.1 1,-0.2 -2,-0.0 -0.545 46.8 129.4-103.4 66.5 21.4 5.8 55.5 7 35 A N + 0 0 95 -2,-0.8 227,-3.1 226,-0.1 2,-0.4 0.563 64.1 51.9 -94.4 -10.9 24.9 6.7 54.1 8 36 A S B S-a 234 0A 54 -3,-0.3 227,-0.2 225,-0.3 -1,-0.1 -0.965 89.7-102.4-130.1 146.2 23.7 7.4 50.6 9 37 A Y - 0 0 10 225,-2.6 2,-0.8 -2,-0.4 227,-0.3 -0.308 41.3-106.9 -62.0 143.8 21.0 9.5 49.0 10 38 A K + 0 0 107 1,-0.1 3,-0.2 74,-0.1 -1,-0.1 -0.639 46.8 167.9 -73.8 111.4 17.9 7.7 47.9 11 39 A M + 0 0 22 -2,-0.8 -1,-0.1 1,-0.1 73,-0.1 0.089 51.1 88.8-115.3 22.7 18.2 7.8 44.1 12 40 A D + 0 0 112 72,-0.1 -1,-0.1 71,-0.1 4,-0.1 0.051 51.7 132.0-108.1 24.9 15.5 5.3 43.2 13 41 A Y S S- 0 0 76 -3,-0.2 71,-0.2 2,-0.2 69,-0.1 -0.283 79.5 -95.3 -66.0 163.8 12.6 7.8 42.9 14 42 A P S S+ 0 0 103 0, 0.0 2,-0.4 0, 0.0 69,-0.2 0.836 112.4 33.6 -51.0 -34.7 10.5 7.4 39.8 15 43 A E E -b 83 0B 74 67,-2.3 69,-2.3 1,-0.1 -2,-0.2 -0.943 68.2-143.7-125.5 145.1 12.6 10.1 38.1 16 44 A M E - 0 0 20 38,-0.8 69,-2.0 -2,-0.4 2,-0.2 0.864 60.3-117.8 -71.2 -35.3 16.3 11.1 38.5 17 45 A G E -b 85 0B 2 37,-0.4 39,-2.7 67,-0.2 -1,-0.3 -0.718 36.3 -41.0 127.6-178.2 15.3 14.7 38.2 18 46 A L E -bc 86 56B 0 67,-0.6 69,-2.2 -2,-0.2 2,-0.4 -0.534 34.4-160.7 -86.1 152.0 15.7 17.8 36.0 19 47 A C E -bc 87 57B 0 37,-2.3 39,-2.6 -2,-0.2 2,-0.6 -0.908 12.1-165.2-131.9 100.3 19.0 18.9 34.4 20 48 A I E -bc 88 58B 1 67,-2.8 69,-3.4 -2,-0.4 2,-0.6 -0.803 2.4-167.6 -92.1 119.7 18.8 22.5 33.4 21 49 A I E -bc 89 59B 0 37,-2.8 39,-2.8 -2,-0.6 2,-0.7 -0.927 3.6-167.9-111.5 115.3 21.6 23.6 31.1 22 50 A I E -bc 90 60B 2 67,-2.9 69,-2.7 -2,-0.6 2,-0.7 -0.906 7.0-173.5-104.9 114.0 22.0 27.4 30.5 23 51 A N E -bc 91 61B 1 37,-3.2 39,-2.4 -2,-0.7 2,-0.7 -0.888 3.1-175.8-113.1 102.1 24.3 28.0 27.6 24 52 A N + 0 0 1 67,-2.7 3,-0.1 -2,-0.7 76,-0.1 -0.874 21.1 147.5-103.6 115.8 25.2 31.7 27.0 25 53 A K + 0 0 57 -2,-0.7 11,-1.8 1,-0.2 2,-0.5 0.737 59.0 55.5-111.5 -40.5 27.3 32.4 23.9 26 54 A N - 0 0 77 9,-0.2 2,-0.3 10,-0.1 -1,-0.2 -0.877 64.9-168.0-106.1 128.3 26.3 35.8 22.6 27 55 A F - 0 0 15 -2,-0.5 76,-0.2 6,-0.2 75,-0.1 -0.867 30.1 -97.2-117.4 148.3 26.4 38.9 24.8 28 56 A H >>> - 0 0 80 74,-2.9 3,-1.8 -2,-0.3 5,-0.7 -0.323 31.8-124.0 -61.9 138.1 25.0 42.4 24.4 29 57 A K G >45S+ 0 0 168 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.843 107.8 61.6 -49.7 -43.1 27.5 44.9 23.1 30 58 A S G 345S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 73,-0.1 0.736 94.8 62.2 -60.1 -23.8 27.0 47.3 26.0 31 59 A T G <45S- 0 0 45 -3,-1.8 -1,-0.3 71,-0.2 -2,-0.2 0.712 101.5-137.3 -74.0 -19.5 28.2 44.6 28.4 32 60 A G T <<5 + 0 0 65 -3,-1.9 2,-0.3 -4,-0.5 -3,-0.1 0.579 55.9 142.5 73.1 8.5 31.5 44.8 26.5 33 61 A M < - 0 0 35 -5,-0.7 -1,-0.3 69,-0.1 -6,-0.2 -0.603 44.4-137.7 -85.1 141.9 31.6 41.0 26.7 34 62 A T - 0 0 105 -2,-0.3 -6,-0.1 1,-0.1 -1,-0.0 -0.484 31.9 -87.7 -92.0 167.2 32.8 38.9 23.8 35 63 A S - 0 0 69 -2,-0.2 2,-0.7 -9,-0.1 -9,-0.2 -0.274 28.9-128.3 -72.6 160.0 31.2 35.7 22.5 36 64 A R > - 0 0 1 -11,-1.8 3,-1.5 57,-0.0 4,-0.2 -0.731 28.1-159.3-112.3 80.9 32.0 32.3 23.9 37 65 A S T 3 S+ 0 0 67 -2,-0.7 137,-0.1 1,-0.2 135,-0.1 -0.281 72.1 22.1 -61.8 140.5 32.9 30.1 20.8 38 66 A G T >> S+ 0 0 16 134,-0.1 3,-1.1 135,-0.1 4,-0.9 0.380 81.6 119.8 85.6 -4.0 32.6 26.4 21.2 39 67 A T H <> + 0 0 1 -3,-1.5 4,-2.2 1,-0.3 -2,-0.1 0.764 66.6 65.8 -65.4 -23.4 30.2 26.5 24.1 40 68 A D H 3> S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.816 93.6 60.5 -66.9 -29.1 27.6 24.6 22.1 41 69 A V H <> S+ 0 0 59 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.935 106.8 45.7 -61.7 -45.3 30.0 21.7 22.2 42 70 A D H X S+ 0 0 0 -4,-0.9 4,-2.8 1,-0.2 5,-0.2 0.930 110.8 53.0 -62.3 -47.1 29.7 21.7 25.9 43 71 A A H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.896 112.9 43.3 -56.6 -43.7 25.9 22.1 25.8 44 72 A A H X S+ 0 0 60 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.886 112.7 52.3 -70.2 -40.5 25.5 19.0 23.5 45 73 A N H X S+ 0 0 56 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.922 112.3 46.2 -61.7 -44.9 28.1 16.9 25.5 46 74 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.900 109.3 54.4 -65.2 -41.7 26.2 17.7 28.7 47 75 A R H X S+ 0 0 126 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.935 114.2 40.7 -58.6 -47.8 22.8 16.9 27.2 48 76 A E H X S+ 0 0 87 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 114.7 52.3 -67.9 -43.8 23.9 13.5 26.0 49 77 A T H < S+ 0 0 13 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.928 115.3 39.4 -60.3 -47.6 25.8 12.7 29.2 50 78 A F H <>S+ 0 0 3 -4,-2.8 5,-2.6 1,-0.2 3,-0.4 0.771 108.8 62.1 -76.2 -22.8 22.9 13.5 31.5 51 79 A R H ><5S+ 0 0 137 -4,-1.5 3,-1.7 -5,-0.3 -1,-0.2 0.925 103.5 50.8 -64.4 -42.4 20.4 11.9 29.1 52 80 A N T 3<5S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.656 105.0 55.8 -70.0 -15.4 22.3 8.6 29.7 53 81 A L T 3 5S- 0 0 27 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.331 122.4-110.4 -94.9 4.3 22.1 9.1 33.5 54 82 A K T < 5 + 0 0 157 -3,-1.7 -38,-0.8 1,-0.2 -37,-0.4 0.759 65.8 150.2 73.3 30.6 18.3 9.4 33.0 55 83 A Y < - 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