==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-11 3QT4 . COMPND 2 MOLECULE: CATHEPSIN-L-LIKE MIDGUT CYSTEINE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TENEBRIO MOLITOR; . AUTHOR D.BETON,C.R.GUZZO,W.R.TERRA,C.S.FARAH . 304 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 14.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 3 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 5 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 3 A K 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.7 27.9 -32.0 29.2 2 4 A S > - 0 0 55 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.260 360.0-113.2 -71.7 160.6 27.4 -30.8 25.6 3 5 A L H > S+ 0 0 120 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.928 120.7 50.9 -52.9 -46.2 25.5 -27.7 24.7 4 6 A F H > S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.893 107.5 50.7 -61.4 -45.0 23.0 -29.9 23.0 5 7 A Q H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.890 113.1 47.2 -60.2 -40.1 22.6 -32.2 26.1 6 8 A E H X S+ 0 0 86 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.907 111.5 49.7 -68.4 -42.4 22.0 -29.1 28.2 7 9 A Q H X S+ 0 0 63 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.919 113.8 47.2 -57.9 -42.5 19.5 -27.7 25.6 8 10 A W H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.906 112.3 48.9 -68.1 -42.6 17.8 -31.1 25.7 9 11 A S H X S+ 0 0 45 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.932 113.6 46.5 -62.6 -45.6 17.8 -31.2 29.5 10 12 A Q H X S+ 0 0 94 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.899 111.3 53.4 -63.0 -41.5 16.4 -27.7 29.6 11 13 A F H X S+ 0 0 5 -4,-2.7 4,-2.3 -5,-0.2 6,-0.2 0.954 111.9 42.8 -58.0 -51.8 13.8 -28.6 27.0 12 14 A K H <>S+ 0 0 41 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.890 118.6 44.9 -63.9 -41.8 12.5 -31.6 29.0 13 15 A L H ><5S+ 0 0 149 -4,-2.4 3,-2.0 -5,-0.2 -2,-0.2 0.985 115.2 45.4 -65.1 -60.0 12.6 -29.8 32.3 14 16 A T H 3<5S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.841 118.9 43.6 -51.6 -40.4 11.0 -26.6 31.1 15 17 A H T 3<5S- 0 0 38 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.179 107.8-120.6-102.7 19.9 8.3 -28.5 29.2 16 18 A K T < 5 - 0 0 189 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.814 45.6-177.9 56.8 35.5 7.6 -31.1 31.8 17 19 A K < + 0 0 53 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.546 20.2 161.3 -77.0 125.9 8.6 -33.9 29.5 18 20 A S - 0 0 115 -2,-0.4 2,-0.1 3,-0.0 -1,-0.0 -0.874 31.2-145.9-139.5 101.6 8.2 -37.4 30.8 19 21 A Y - 0 0 35 -2,-0.3 6,-0.1 1,-0.1 4,-0.0 -0.371 18.7-119.5 -78.9 154.1 8.2 -39.7 27.8 20 22 A S S S+ 0 0 113 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.732 93.0 0.2 -58.5 -25.3 6.2 -42.9 27.5 21 23 A S S > S- 0 0 35 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.985 72.8-105.4-160.6 157.5 9.4 -44.9 27.1 22 24 A P H > S+ 0 0 105 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.903 122.0 50.6 -55.2 -41.1 13.1 -44.7 26.9 23 25 A I H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.922 107.9 52.7 -65.3 -42.9 13.0 -45.2 23.1 24 26 A E H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 109.9 48.7 -54.5 -47.1 10.4 -42.5 22.8 25 27 A E H X S+ 0 0 63 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 111.6 49.8 -60.6 -40.5 12.7 -40.1 24.7 26 28 A I H X S+ 0 0 81 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.917 111.8 47.1 -65.4 -44.1 15.6 -41.1 22.4 27 29 A R H X S+ 0 0 114 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.854 113.7 48.9 -65.2 -35.6 13.6 -40.5 19.3 28 30 A R H X S+ 0 0 39 -4,-2.3 4,-3.2 -5,-0.2 -2,-0.2 0.864 105.5 57.6 -72.6 -37.3 12.3 -37.2 20.6 29 31 A Q H X S+ 0 0 54 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 108.1 47.2 -55.4 -45.2 15.8 -36.2 21.5 30 32 A L H X S+ 0 0 108 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.871 112.0 49.2 -67.5 -38.2 16.8 -36.7 17.9 31 33 A I H X S+ 0 0 34 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.954 111.3 50.7 -64.9 -45.1 13.8 -34.7 16.7 32 34 A F H X S+ 0 0 2 -4,-3.2 4,-3.2 1,-0.2 -2,-0.2 0.903 108.3 52.1 -55.8 -46.7 14.7 -32.0 19.1 33 35 A K H X S+ 0 0 110 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.928 110.7 47.9 -55.2 -47.5 18.3 -32.0 17.8 34 36 A D H X S+ 0 0 89 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 112.5 49.3 -61.0 -42.8 17.0 -31.6 14.3 35 37 A N H X S+ 0 0 0 -4,-2.9 4,-3.0 26,-0.3 5,-0.2 0.908 105.8 55.4 -64.2 -43.7 14.7 -28.8 15.5 36 38 A V H X S+ 0 0 30 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.923 110.2 47.9 -52.7 -45.0 17.5 -27.0 17.3 37 39 A A H X S+ 0 0 39 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.925 111.7 48.9 -63.1 -44.6 19.4 -27.0 13.9 38 40 A K H X S+ 0 0 56 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.895 112.9 47.6 -62.6 -42.5 16.3 -25.8 12.0 39 41 A I H X S+ 0 0 12 -4,-3.0 4,-3.2 2,-0.2 16,-0.3 0.945 113.6 47.5 -62.7 -49.1 15.8 -23.0 14.5 40 42 A A H X S+ 0 0 57 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.920 111.8 50.7 -59.9 -43.9 19.5 -22.1 14.4 41 43 A E H X S+ 0 0 118 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.953 113.3 45.8 -58.0 -49.9 19.4 -22.2 10.6 42 44 A H H X S+ 0 0 16 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.923 112.4 49.8 -57.8 -47.0 16.4 -19.9 10.6 43 45 A N H X S+ 0 0 39 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.809 103.6 59.6 -67.6 -27.6 17.9 -17.6 13.2 44 46 A A H X S+ 0 0 51 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.948 108.3 46.1 -58.2 -47.5 21.1 -17.3 11.1 45 47 A K H <>S+ 0 0 106 -4,-1.8 5,-3.0 1,-0.2 6,-0.6 0.886 111.5 52.9 -61.0 -40.0 18.9 -16.0 8.4 46 48 A F H ><5S+ 0 0 60 -4,-2.0 3,-2.0 4,-0.2 -2,-0.2 0.934 106.9 49.2 -62.7 -50.7 17.2 -13.6 10.9 47 49 A E H 3<5S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.4 54.3 -60.8 -28.5 20.5 -12.1 12.1 48 50 A K T 3<5S- 0 0 154 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.484 117.5-118.2 -80.9 -4.2 21.5 -11.6 8.5 49 51 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.710 81.5 124.3 73.9 20.6 18.2 -9.7 8.1 50 52 A E S - 0 0 2 220,-0.1 3,-2.2 -43,-0.0 4,-0.1 -0.853 61.5 -63.9-153.3-166.8 9.4 -24.1 22.7 59 61 A Q G > S+ 0 0 32 1,-0.3 3,-0.6 -2,-0.3 -2,-0.1 0.666 127.3 65.3 -68.6 -10.2 7.4 -27.1 23.8 60 62 A F G > + 0 0 9 173,-0.3 3,-2.2 1,-0.2 -1,-0.3 0.313 69.0 109.3 -87.0 9.6 7.1 -28.3 20.2 61 63 A G G < S+ 0 0 0 -3,-2.2 -26,-0.3 1,-0.3 -1,-0.2 0.755 76.5 49.4 -56.2 -26.0 10.9 -28.8 20.2 62 64 A D G < S+ 0 0 11 -3,-0.6 2,-0.4 -4,-0.1 -1,-0.3 0.168 93.9 94.8-103.9 15.7 10.4 -32.6 20.2 63 65 A M < - 0 0 32 -3,-2.2 2,-0.1 -32,-0.1 -3,-0.0 -0.904 68.0-134.7-111.4 137.1 8.0 -32.6 17.3 64 66 A S > - 0 0 20 -2,-0.4 4,-3.2 1,-0.1 5,-0.2 -0.358 33.0-103.7 -77.5 166.0 8.9 -33.2 13.7 65 67 A K H > S+ 0 0 109 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.876 124.4 53.4 -57.8 -38.7 7.4 -31.0 11.0 66 68 A E H > S+ 0 0 116 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 111.3 44.4 -62.5 -47.3 5.1 -33.8 10.1 67 69 A E H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.906 113.6 50.6 -64.8 -41.4 3.9 -34.1 13.7 68 70 A F H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.940 112.7 46.1 -61.6 -45.8 3.5 -30.4 14.0 69 71 A L H X S+ 0 0 65 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.914 112.3 50.2 -61.6 -43.5 1.5 -30.3 10.8 70 72 A A H X S+ 0 0 60 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.929 110.5 53.8 -57.7 -41.9 -0.6 -33.3 11.9 71 73 A Y H X S+ 0 0 21 -4,-2.8 4,-0.5 2,-0.2 3,-0.3 0.948 113.8 37.5 -57.8 -53.9 -1.0 -31.3 15.1 72 74 A V H >< S+ 0 0 3 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.848 119.2 51.1 -70.7 -30.0 -2.3 -28.1 13.4 73 75 A N H >< S+ 0 0 56 -4,-2.9 3,-1.7 -5,-0.3 -1,-0.2 0.713 91.6 77.4 -74.8 -19.4 -4.2 -30.2 10.9 74 76 A R H 3< S+ 0 0 97 -4,-1.7 -1,-0.2 -3,-0.3 39,-0.2 0.819 92.7 51.6 -63.2 -30.3 -5.9 -32.3 13.6 75 77 A G T << S+ 0 0 5 -3,-0.6 83,-1.1 -4,-0.5 -1,-0.3 0.189 72.7 137.6 -96.3 15.8 -8.3 -29.5 14.4 76 78 A K < - 0 0 95 -3,-1.7 175,-0.1 81,-0.2 83,-0.1 -0.479 59.0-115.5 -57.9 125.0 -9.6 -28.8 10.8 77 79 A A 0 0 42 81,-0.3 75,-0.1 -2,-0.2 80,-0.1 -0.284 360.0 360.0 -61.2 147.2 -13.4 -28.3 11.0 78 80 A Q 0 0 186 73,-0.6 -1,-0.1 79,-0.0 81,-0.0 -0.787 360.0 360.0 -92.6 360.0 -15.6 -30.9 9.3 79 ! 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 80 87 A N 0 0 194 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-108.4 -29.7 -18.3 11.4 81 88 A L + 0 0 18 119,-0.1 120,-2.1 2,-0.0 2,-0.4 0.523 360.0 106.0-118.8 -17.0 -27.2 -16.6 13.7 82 89 A R E -b 201 0B 139 118,-0.2 120,-0.2 120,-0.1 118,-0.0 -0.529 53.2-167.1 -66.5 119.0 -24.8 -15.3 11.1 83 90 A M E -b 202 0B 59 118,-3.5 120,-1.0 -2,-0.4 2,-0.2 -0.850 27.3-106.3-105.3 146.8 -25.3 -11.6 10.9 84 91 A P E -b 203 0B 89 0, 0.0 2,-0.2 0, 0.0 120,-0.1 -0.544 32.9-118.9 -77.5 137.3 -23.8 -9.7 8.0 85 92 A Y - 0 0 38 118,-1.0 2,-0.5 -2,-0.2 126,-0.0 -0.509 26.2-158.7 -66.4 139.1 -20.7 -7.6 8.8 86 93 A V - 0 0 92 -2,-0.2 118,-0.0 125,-0.1 116,-0.0 -0.998 21.5-118.4-118.9 125.7 -21.3 -4.0 8.2 87 94 A S - 0 0 53 -2,-0.5 124,-0.1 1,-0.2 0, 0.0 -0.244 10.4-138.1 -49.1 139.2 -18.3 -1.8 7.7 88 95 A S - 0 0 29 2,-0.1 -1,-0.2 123,-0.1 123,-0.0 0.778 28.8-142.1 -68.1 -25.5 -18.1 0.8 10.3 89 96 A K + 0 0 154 1,-0.3 -2,-0.1 0, 0.0 3,-0.0 0.792 56.7 127.7 65.3 33.6 -17.0 3.0 7.4 90 97 A K S S- 0 0 120 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.749 72.4 -83.3-112.3 160.2 -14.5 4.8 9.7 91 98 A P - 0 0 122 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.421 55.3-103.4 -58.4 135.9 -10.8 5.4 9.2 92 99 A L - 0 0 65 1,-0.1 122,-0.1 -2,-0.1 2,-0.1 -0.477 38.4-113.1 -57.7 128.5 -8.8 2.4 10.3 93 100 A A - 0 0 49 120,-0.2 3,-0.1 1,-0.2 124,-0.1 -0.450 27.1-121.0 -60.2 139.4 -7.4 3.2 13.7 94 101 A A S S+ 0 0 88 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.915 88.6 0.9 -53.9 -40.8 -3.7 3.3 13.1 95 102 A S - 0 0 75 165,-0.1 2,-0.4 2,-0.0 165,-0.3 -0.997 60.0-170.0-154.1 145.9 -3.2 0.6 15.6 96 103 A V E +C 259 0B 15 163,-3.2 163,-2.7 -2,-0.3 2,-0.3 -0.994 5.9 175.0-140.0 139.6 -5.2 -1.6 17.9 97 104 A D E +C 258 0B 67 -2,-0.4 3,-0.5 161,-0.3 161,-0.2 -0.823 7.5 179.6-151.7 107.4 -4.0 -3.9 20.7 98 105 A W >> + 0 0 39 159,-3.6 4,-3.5 -2,-0.3 3,-1.0 0.414 57.6 100.8 -87.9 -0.4 -6.5 -5.7 22.9 99 106 A R T 34 S+ 0 0 79 158,-0.3 4,-0.2 1,-0.3 -1,-0.2 0.757 78.1 51.0 -62.1 -30.3 -3.9 -7.5 24.9 100 107 A S T 34 S+ 0 0 113 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.768 131.9 5.7 -78.1 -21.9 -4.0 -5.2 27.9 101 108 A N T <4 S+ 0 0 85 -3,-1.0 -2,-0.2 -4,-0.1 34,-0.1 0.586 125.0 45.2-139.7 -18.3 -7.7 -5.3 28.4 102 109 A A S < S+ 0 0 0 -4,-3.5 2,-0.4 155,-0.1 27,-0.2 0.192 92.8 79.7-126.3 18.8 -9.8 -7.6 26.2 103 110 A V - 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