==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 18-JUL-02 1M72 . COMPND 2 MOLECULE: CASPASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SPODOPTERA FRUGIPERDA; . AUTHOR C.M.FORSYTH,D.LEMONGELLO,P.D.FRIESEN,A.J.FISHER . 759 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.2 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 . 3 0.4 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-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 . 70 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 2 1 0 0 0 0 0 0 1 5 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 1 0 4 5 1 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 . 3 12 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 8 0 0 1 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 40 A R 0 0 89 0, 0.0 401,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 175.5 7.6 116.0 22.3 2 41 A V E +a 402 0A 83 399,-0.2 2,-0.3 120,-0.1 401,-0.2 -0.954 360.0 162.7-134.3 130.2 10.0 118.8 23.4 3 42 A A E -a 403 0A 9 399,-2.5 401,-2.9 -2,-0.4 2,-0.2 -0.860 47.4 -85.2-129.4 163.0 11.9 119.6 26.6 4 43 A R E -a 404 0A 120 -2,-0.3 401,-0.2 399,-0.2 399,-0.0 -0.476 43.4-119.2 -69.4 136.5 14.8 121.8 27.5 5 44 A M - 0 0 36 399,-2.6 124,-0.1 -2,-0.2 -1,-0.1 -0.670 29.8-173.0 -75.3 118.7 18.1 120.1 26.9 6 45 A P + 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.713 66.7 6.1 -89.2 -17.0 19.7 120.0 30.4 7 46 A V S S- 0 0 17 7,-0.0 7,-0.1 4,-0.0 2,-0.0 -0.954 95.5 -77.3-155.8 159.7 23.2 118.7 29.5 8 47 A D > - 0 0 108 -2,-0.3 3,-1.9 1,-0.1 7,-0.0 -0.304 44.6-105.2 -73.1 154.9 24.9 118.0 26.2 9 48 A R T 3 S+ 0 0 89 1,-0.3 -1,-0.1 460,-0.0 460,-0.0 0.811 114.6 30.7 -39.4 -52.9 24.2 114.9 24.1 10 49 A N T 3 S+ 0 0 100 459,-0.0 -1,-0.3 232,-0.0 -2,-0.1 0.257 81.5 137.8-100.6 16.2 27.4 113.0 24.9 11 50 A A < - 0 0 10 -3,-1.9 232,-0.1 1,-0.1 4,-0.1 -0.290 45.8-149.6 -60.9 134.2 28.2 114.2 28.4 12 51 A P S S+ 0 0 65 0, 0.0 231,-3.1 0, 0.0 2,-0.3 0.689 80.6 52.8 -81.2 -12.4 29.3 111.4 30.6 13 52 A Y B S-c 243 0B 115 229,-0.2 231,-0.2 231,-0.1 2,-0.1 -0.893 88.1-113.3-119.8 150.4 27.9 113.2 33.7 14 53 A Y - 0 0 10 229,-2.6 2,-1.3 -2,-0.3 231,-0.2 -0.448 44.2-100.4 -72.8 158.3 24.4 114.5 34.4 15 54 A N + 0 0 48 114,-0.3 3,-0.4 1,-0.1 -1,-0.1 -0.668 47.9 169.1 -84.1 95.0 24.3 118.3 34.8 16 55 A M + 0 0 15 -2,-1.3 -1,-0.1 1,-0.2 72,-0.1 -0.142 53.4 90.9 -96.4 37.0 24.3 118.8 38.5 17 56 A N + 0 0 147 70,-0.1 -1,-0.2 71,-0.1 4,-0.1 0.198 50.4 130.1-118.3 14.6 24.9 122.6 38.3 18 57 A H S S- 0 0 37 -3,-0.4 70,-0.1 2,-0.2 68,-0.1 -0.154 78.6 -98.3 -60.9 163.2 21.4 123.9 38.1 19 58 A K S S+ 0 0 167 1,-0.1 2,-0.3 68,-0.1 68,-0.2 0.855 109.7 32.9 -54.1 -34.6 20.4 126.8 40.5 20 59 A H E -d 87 0C 102 66,-2.2 68,-1.7 1,-0.1 -2,-0.2 -0.946 68.3-139.6-128.5 147.3 18.9 124.1 42.8 21 60 A R E - 0 0 13 37,-0.6 68,-2.5 -2,-0.3 67,-0.5 0.952 59.1-122.4 -64.5 -48.3 19.7 120.5 43.7 22 61 A G E -d 89 0C 8 36,-0.5 38,-2.5 65,-0.2 -1,-0.2 -0.799 32.6 -43.8 133.9-175.1 16.0 119.7 43.7 23 62 A M E -de 90 60C 34 66,-0.6 68,-2.0 -2,-0.3 2,-0.4 -0.583 35.2-166.6 -90.9 154.7 13.3 118.3 45.9 24 63 A A E -de 91 61C 0 36,-1.9 38,-2.5 -2,-0.2 2,-0.5 -0.960 8.3-170.8-138.9 112.4 13.5 115.3 48.1 25 64 A I E -de 92 62C 3 66,-2.3 68,-2.3 -2,-0.4 2,-0.5 -0.950 3.5-163.4-112.3 125.4 10.2 114.0 49.5 26 65 A I E -de 93 63C 0 36,-2.5 38,-3.0 -2,-0.5 2,-0.9 -0.936 7.1-157.5-111.6 117.6 10.3 111.3 52.2 27 66 A F E -de 94 64C 0 66,-3.0 68,-2.5 -2,-0.5 2,-0.5 -0.846 17.4-169.2 -98.6 105.2 7.1 109.3 52.9 28 67 A N E -de 95 65C 6 36,-1.9 38,-3.4 -2,-0.9 2,-0.6 -0.850 6.9-172.1-101.5 120.7 7.6 108.0 56.4 29 68 A H + 0 0 0 66,-2.0 3,-0.1 -2,-0.5 14,-0.1 -0.909 23.1 149.9-119.1 105.0 5.2 105.4 57.7 30 69 A E + 0 0 35 -2,-0.6 10,-3.2 1,-0.2 2,-0.4 0.762 67.6 35.4 -99.4 -30.4 5.5 104.5 61.4 31 70 A H - 0 0 85 8,-0.2 2,-0.4 9,-0.1 -1,-0.2 -0.958 64.6-157.7-132.5 143.9 1.9 103.5 62.1 32 71 A F - 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