==== 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 20-JUN-11 3SIR . COMPND 2 MOLECULE: CASPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR X.LI,J.WANG,Y.SHI . 717 22 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 3.9 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 85 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 0 0 1 3 4 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 0 0 5 5 3 2 1 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 1 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 . 0 1 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 1 A A 0 0 92 0, 0.0 2,-1.5 0, 0.0 353,-0.0 0.000 360.0 360.0 360.0 30.9 17.6 -11.2 -25.9 2 2 A L + 0 0 33 1,-0.2 9,-0.1 4,-0.1 356,-0.0 0.089 360.0 90.1 74.0 -26.2 14.4 -13.0 -25.3 3 3 A G S S+ 0 0 84 -2,-1.5 -1,-0.2 1,-0.1 8,-0.1 0.979 112.0 19.4 -34.3 -50.5 13.0 -11.5 -28.4 4 4 A S S S+ 0 0 106 2,-0.1 2,-0.4 7,-0.0 -1,-0.1 0.343 100.8 96.5-128.5 0.5 14.6 -14.7 -29.6 5 5 A V + 0 0 9 349,-0.0 2,-0.2 2,-0.0 6,-0.1 -0.772 44.0 150.6 -76.1 131.2 15.1 -17.1 -26.7 6 6 A T - 0 0 78 -2,-0.4 2,-0.3 4,-0.1 -2,-0.1 -0.566 32.0-140.7-118.9-141.7 12.2 -19.5 -26.6 7 7 A D - 0 0 1 -2,-0.2 2,-9.9 362,-0.1 363,-0.1 -0.906 56.7 -58.8 176.0 153.7 12.3 -23.0 -25.2 8 8 A R S S+ 0 0 168 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.269 137.0 13.2 -45.8 44.3 10.7 -26.1 -26.5 9 9 A H S S- 0 0 140 -2,-9.9 2,-0.3 0, 0.0 -1,-0.2 -0.029 118.2 -43.9-163.8 -71.9 7.5 -24.1 -26.0 10 10 A A - 0 0 33 1,-0.1 -4,-0.1 -4,-0.0 3,-0.0 -0.966 33.0-126.0 179.1 156.6 7.5 -20.3 -25.4 11 11 A A S S+ 0 0 14 -2,-0.3 202,-2.0 -6,-0.1 2,-0.4 0.885 82.6 47.6 -90.6 -46.0 9.2 -17.5 -23.4 12 12 A E B S-a 213 0A 101 200,-0.2 202,-0.2 1,-0.0 -1,-0.1 -0.854 82.6-109.8-114.7 133.8 6.6 -15.6 -21.5 13 13 A Y - 0 0 11 200,-1.5 2,-1.1 -2,-0.4 202,-0.2 -0.305 40.3-108.1 -53.6 136.5 3.7 -16.8 -19.3 14 14 A N + 0 0 100 1,-0.1 3,-0.3 63,-0.1 -1,-0.1 -0.646 51.1 164.9 -68.1 98.4 0.3 -16.2 -20.9 15 15 A M + 0 0 5 -2,-1.1 202,-0.2 1,-0.2 -1,-0.1 -0.102 50.9 83.3-110.8 33.2 -0.9 -13.4 -18.7 16 16 A R + 0 0 207 60,-0.1 -1,-0.2 61,-0.1 4,-0.1 0.238 58.5 131.8-123.8 18.8 -3.7 -12.0 -20.8 17 17 A H S S- 0 0 62 -3,-0.3 59,-0.1 2,-0.1 3,-0.1 0.277 76.9 -88.6 -53.1-175.7 -6.5 -14.5 -19.7 18 18 A K S S+ 0 0 158 1,-0.2 2,-0.4 57,-0.1 58,-0.2 0.974 111.9 21.7 -62.2 -57.6 -10.0 -13.4 -18.7 19 19 A N E -b 76 0B 73 56,-2.9 58,-2.0 1,-0.1 -1,-0.2 -0.916 67.2-138.3-114.5 148.4 -9.0 -13.0 -15.0 20 20 A R E - 0 0 17 27,-0.5 58,-3.0 -2,-0.4 57,-0.5 0.965 59.0-113.9 -62.5 -55.1 -5.6 -12.5 -13.4 21 21 A G E -b 78 0B 5 26,-0.4 28,-2.4 56,-0.2 2,-0.3 -0.839 36.6 -43.9 145.9-178.0 -6.5 -14.9 -10.6 22 22 A M E -bc 79 49B 36 56,-0.5 58,-2.6 -2,-0.2 2,-0.5 -0.603 32.8-157.6 -77.3 142.6 -7.1 -15.2 -6.8 23 23 A A E -bc 80 50B 0 26,-1.7 28,-2.5 -2,-0.3 2,-0.6 -0.982 10.1-171.0-107.2 123.2 -5.2 -13.6 -4.1 24 24 A L E -bc 81 51B 2 56,-2.3 58,-2.7 -2,-0.5 2,-0.7 -0.905 2.9-173.0-111.4 100.7 -5.6 -15.4 -0.8 25 25 A I E -bc 82 52B 0 26,-1.9 28,-2.2 -2,-0.6 2,-0.7 -0.838 2.9-168.0 -94.5 110.3 -4.1 -13.4 2.1 26 26 A F E -bc 83 53B 1 56,-2.7 58,-2.5 -2,-0.7 2,-0.7 -0.865 9.6-151.8-101.0 112.2 -4.1 -15.3 5.4 27 27 A N E -bc 84 54B 1 26,-2.4 2,-1.1 -2,-0.7 28,-0.9 -0.757 7.1-150.5 -73.7 109.7 -3.3 -13.4 8.5 28 28 A H E +bc 85 55B 2 56,-3.1 58,-0.7 -2,-0.7 2,-0.3 -0.815 30.5 174.1 -73.6 100.1 -1.7 -15.7 11.1 29 29 A E + 0 0 43 -2,-1.1 2,-0.1 26,-0.9 56,-0.0 -0.733 11.8 178.5-105.0 159.1 -2.9 -14.0 14.2 30 30 A H 0 0 35 -2,-0.3 61,-0.1 61,-0.1 -1,-0.1 -0.260 360.0 360.0-120.5-149.0 -2.5 -15.1 17.8 31 31 A F 0 0 137 -2,-0.1 678,-0.1 366,-0.1 -1,-0.1 0.124 360.0 360.0-150.5 360.0 -3.5 -13.6 21.1 32 ! 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 33 43 A N 0 0 86 0, 0.0 4,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 -48.0 -2.6 -5.6 9.4 34 44 A V >> + 0 0 99 2,-0.2 4,-2.9 3,-0.1 3,-0.6 0.844 360.0 45.6 -83.2 -50.4 -1.1 -2.6 7.6 35 45 A D H 3> S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.977 112.0 54.3 -38.5 -55.6 1.1 -4.9 5.7 36 46 A C H 3> S+ 0 0 6 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.613 111.1 44.2 -67.7 -16.3 -2.0 -7.0 5.1 37 47 A E H <> S+ 0 0 101 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.868 112.4 49.8 -94.3 -47.0 -3.8 -3.9 3.7 38 48 A N H X S+ 0 0 64 -4,-2.9 4,-2.4 2,-0.2 3,-0.5 0.982 111.0 49.9 -47.6 -68.9 -1.0 -2.7 1.5 39 49 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.3 5,-0.3 0.887 110.7 51.6 -28.0 -72.0 -0.6 -6.2 0.0 40 50 A T H X S+ 0 0 22 -4,-0.8 4,-1.0 -5,-0.2 -1,-0.3 0.862 111.5 47.0 -31.4 -58.4 -4.3 -6.2 -0.6 41 51 A R H >X S+ 0 0 121 -4,-2.8 4,-2.5 -3,-0.5 3,-1.2 0.955 112.6 46.4 -58.9 -55.8 -4.2 -2.9 -2.4 42 52 A V H 3X S+ 0 0 6 -4,-2.4 4,-1.3 1,-0.3 -1,-0.2 0.854 111.0 53.6 -57.0 -36.9 -1.2 -3.6 -4.6 43 53 A L H 3<>S+ 0 0 3 -4,-2.7 5,-2.7 -5,-0.4 -1,-0.3 0.690 109.4 49.4 -75.8 -15.8 -2.7 -7.0 -5.5 44 54 A K H X<5S+ 0 0 125 -3,-1.2 3,-0.8 -4,-1.0 -2,-0.2 0.837 107.1 52.9 -85.3 -40.8 -5.9 -5.2 -6.5 45 55 A Q H 3<5S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.782 108.5 53.2 -58.3 -29.0 -3.9 -2.6 -8.6 46 56 A L T 3<5S- 0 0 6 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.533 124.7-107.4 -89.1 -10.1 -2.5 -5.7 -10.3 47 57 A D T < 5 + 0 0 100 -3,-0.8 -27,-0.5 1,-0.3 -26,-0.4 0.533 66.6 146.6 107.4 9.2 -5.9 -7.1 -11.0 48 58 A F < - 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