==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-06 2O6X . COMPND 2 MOLECULE: SECRETED CATHEPSIN L 1; . SOURCE 2 ORGANISM_SCIENTIFIC: FASCIOLA HEPATICA; . AUTHOR L.S.BRINEN,J.P.DALTON,S.GEIGER,R.MARION,C.M.STACK . 306 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 16.0 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 26.5 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 1 0 0 1 2 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 1 1 0 2 0 1 1 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 0 1 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 8 A N > 0 0 91 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 0.8 21.3 -6.7 2.2 2 9 A D H > + 0 0 103 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.923 360.0 47.7 -57.6 -48.0 18.5 -9.1 1.2 3 10 A D H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 114.0 46.6 -56.0 -49.5 18.9 -11.3 4.2 4 11 A L H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.807 106.8 57.3 -69.0 -39.1 19.0 -8.3 6.5 5 12 A W H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.950 109.4 45.4 -57.6 -47.3 16.0 -6.6 5.0 6 13 A H H X S+ 0 0 75 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.914 114.3 49.2 -64.4 -38.4 13.8 -9.7 5.6 7 14 A Q H X S+ 0 0 94 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.891 110.3 50.6 -65.9 -42.8 15.2 -10.0 9.2 8 15 A W H X S+ 0 0 11 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.943 109.5 50.6 -60.1 -44.6 14.5 -6.3 9.9 9 16 A K H X>S+ 0 0 32 -4,-2.7 5,-2.7 1,-0.2 4,-0.5 0.925 112.1 47.5 -61.9 -38.5 11.0 -6.6 8.6 10 17 A R H ><5S+ 0 0 147 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.928 109.1 54.9 -64.4 -43.8 10.4 -9.7 10.9 11 18 A M H 3<5S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 120.4 29.8 -60.5 -36.2 12.0 -7.9 13.9 12 19 A Y H 3<5S- 0 0 43 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.291 107.6-118.6-112.7 12.8 9.6 -5.0 13.6 13 20 A N T <<5 + 0 0 125 -3,-1.0 2,-0.4 -4,-0.5 -3,-0.2 0.909 51.6 169.3 50.0 52.2 6.6 -6.9 12.1 14 21 A K < + 0 0 52 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.798 10.5 177.4 -98.4 132.2 6.6 -4.9 8.9 15 22 A E - 0 0 162 -2,-0.4 2,-0.4 -5,-0.0 -5,-0.0 -0.996 4.6-173.3-136.8 128.1 4.5 -6.1 6.1 16 23 A Y - 0 0 47 -2,-0.4 5,-0.0 1,-0.0 -2,-0.0 -0.976 20.9-123.9-127.4 148.7 4.1 -4.3 2.8 17 24 A N >> - 0 0 91 -2,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.021 41.4 -97.6 -69.6 175.2 2.0 -4.7 -0.3 18 25 A G H 3> S+ 0 0 78 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.857 123.7 58.1 -68.0 -32.3 3.5 -5.1 -3.8 19 26 A A H 34 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.717 118.3 30.0 -68.7 -23.9 3.0 -1.4 -4.4 20 27 A D H <> S+ 0 0 74 -3,-0.7 4,-2.3 2,-0.1 5,-0.2 0.730 94.9 82.0-108.6 -26.8 5.1 -0.4 -1.4 21 28 A D H X S+ 0 0 38 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.889 96.2 45.6 -62.1 -45.8 7.8 -3.1 -0.7 22 29 A Q H X S+ 0 0 104 -4,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.899 113.5 48.5 -64.1 -37.3 10.3 -1.9 -3.2 23 30 A H H > S+ 0 0 126 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.884 113.1 48.2 -68.9 -36.3 10.0 1.8 -2.2 24 31 A R H X S+ 0 0 57 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.912 109.7 52.5 -68.9 -39.2 10.4 0.9 1.4 25 32 A R H X S+ 0 0 30 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.898 108.2 52.4 -60.3 -40.7 13.4 -1.2 0.7 26 33 A N H X S+ 0 0 88 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.903 110.7 45.6 -63.7 -42.1 14.9 1.7 -1.1 27 34 A I H X S+ 0 0 36 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 113.1 51.2 -60.7 -45.8 14.4 4.1 1.8 28 35 A W H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.903 109.5 50.1 -59.3 -45.4 15.7 1.5 4.2 29 36 A E H X S+ 0 0 53 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.906 109.9 49.6 -61.0 -41.4 18.8 1.0 2.0 30 37 A K H X S+ 0 0 155 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.921 113.9 46.5 -63.5 -45.0 19.6 4.7 1.8 31 38 A N H X S+ 0 0 10 -4,-2.5 4,-2.5 26,-0.3 -2,-0.2 0.910 110.3 52.3 -63.9 -42.8 19.2 5.0 5.6 32 39 A V H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.900 106.4 54.3 -58.4 -41.0 21.4 1.9 6.2 33 40 A K H X S+ 0 0 122 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 110.4 47.0 -59.7 -40.0 24.1 3.4 4.0 34 41 A H H X S+ 0 0 65 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.919 110.8 50.5 -68.5 -45.4 24.1 6.5 6.1 35 42 A I H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 16,-0.3 0.926 112.4 47.9 -56.7 -45.3 24.1 4.6 9.4 36 43 A Q H X S+ 0 0 106 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.917 114.1 46.2 -67.0 -42.8 27.2 2.5 8.1 37 44 A E H X S+ 0 0 90 -4,-2.4 4,-1.4 -5,-0.2 3,-0.4 0.955 114.2 48.1 -62.2 -47.9 29.1 5.6 7.0 38 45 A H H X S+ 0 0 13 -4,-3.0 4,-1.7 1,-0.2 3,-0.2 0.909 108.0 54.2 -60.5 -42.3 28.3 7.5 10.2 39 46 A N H X S+ 0 0 46 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.806 101.3 57.1 -71.3 -27.2 29.3 4.7 12.4 40 47 A L H X S+ 0 0 119 -4,-1.4 4,-0.9 -3,-0.4 -1,-0.3 0.892 104.4 54.7 -67.9 -34.4 32.8 4.3 10.9 41 48 A R H ><>S+ 0 0 136 -4,-1.4 5,-2.5 1,-0.2 3,-0.5 0.880 104.6 54.2 -63.6 -39.1 33.4 7.9 11.7 42 49 A H H ><5S+ 0 0 60 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.895 101.3 58.2 -58.1 -36.5 32.5 7.2 15.3 43 50 A D H 3<5S+ 0 0 138 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.761 107.7 48.1 -66.7 -26.0 35.1 4.4 15.4 44 51 A L T <<5S- 0 0 136 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.357 119.6-110.9 -91.8 -0.1 37.8 7.0 14.5 45 52 A G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.717 82.3 124.5 79.5 21.8 36.6 9.4 17.1 46 53 A L S - 0 0 0 -2,-0.2 3,-1.4 222,-0.1 4,-0.2 -0.830 64.8 -64.8-161.4-171.3 15.1 0.6 14.6 55 62 A Q T 3 S+ 0 0 25 1,-0.2 3,-0.2 -2,-0.2 -2,-0.1 0.570 127.9 55.2 -68.3 -5.6 11.4 0.6 13.8 56 63 A F T > S+ 0 0 9 175,-0.2 3,-2.3 1,-0.1 -1,-0.2 0.362 72.1 104.4-103.9 -0.2 11.9 3.9 11.7 57 64 A T T < S+ 0 0 0 -3,-1.4 -26,-0.3 1,-0.3 -25,-0.1 0.747 78.9 53.8 -65.7 -21.3 14.6 2.7 9.3 58 65 A D T 3 S+ 0 0 7 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 0.290 97.5 88.8 -92.9 13.1 12.1 2.3 6.4 59 66 A M S < S- 0 0 21 -3,-2.3 2,-0.2 -32,-0.1 -3,-0.0 -0.797 74.2-128.3-107.9 147.1 10.9 5.9 6.8 60 67 A T > - 0 0 46 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.609 27.5-118.7 -80.6 155.9 12.2 9.1 5.4 61 68 A F H > S+ 0 0 49 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.906 116.1 56.4 -62.1 -36.7 12.8 11.9 7.9 62 69 A E H > S+ 0 0 157 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 108.7 47.2 -62.5 -37.3 10.2 14.0 6.1 63 70 A E H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 113.1 48.7 -64.0 -47.3 7.6 11.2 6.7 64 71 A F H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.896 110.4 50.9 -57.5 -50.0 8.7 10.9 10.3 65 72 A K H X S+ 0 0 93 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.917 108.2 52.2 -56.5 -43.4 8.5 14.6 10.9 66 73 A A H < S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.876 117.0 39.8 -63.8 -34.5 5.0 14.8 9.4 67 74 A K H < S+ 0 0 89 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.892 132.3 14.6 -78.4 -45.0 3.8 12.0 11.7 68 75 A Y H < S+ 0 0 17 -4,-2.9 2,-0.3 -5,-0.1 45,-0.3 0.643 106.4 74.3-110.1 -18.9 5.5 12.7 15.0 69 76 A L < + 0 0 11 -4,-2.0 2,-0.3 -5,-0.4 181,-0.2 -0.787 41.7 162.7-114.8 144.0 6.9 16.2 15.1 70 77 A T - 0 0 51 179,-1.9 2,-0.3 -2,-0.3 86,-0.1 -0.968 47.1 -96.1-152.8 144.0 5.3 19.7 15.5 71 78 A E + 0 0 109 -2,-0.3 178,-0.2 1,-0.2 177,-0.1 -0.403 42.6 175.0 -64.7 122.2 6.7 23.1 16.4 72 79 A M + 0 0 13 176,-2.5 2,-0.2 -2,-0.3 -1,-0.2 0.695 45.6 78.0-104.2 -19.2 6.1 23.5 20.1 73 80 A S - 0 0 26 175,-0.6 2,-0.3 173,-0.2 224,-0.1 -0.544 48.2-179.8-102.5 154.2 7.7 26.8 21.1 74 81 A R > - 0 0 194 -2,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.959 43.3-109.8-142.6 163.3 6.5 30.4 20.6 75 82 A A G > S+ 0 0 98 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.836 114.5 72.1 -66.7 -28.7 8.0 33.7 21.5 76 83 A S G > S+ 0 0 98 1,-0.3 3,-1.4 2,-0.1 -1,-0.3 0.730 79.4 79.0 -49.3 -27.3 5.2 34.0 24.1 77 84 A D G < + 0 0 33 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.667 66.0 86.3 -62.8 -19.8 7.1 31.3 26.1 78 85 A I G < S+ 0 0 147 -3,-1.8 2,-0.6 1,-0.2 -1,-0.3 0.846 95.2 42.1 -50.8 -39.8 9.6 33.8 27.4 79 86 A L S < S- 0 0 144 -3,-1.4 -1,-0.2 -4,-0.2 2,-0.0 -0.942 90.6-155.6-109.8 104.2 7.2 34.5 30.3 80 87 A S - 0 0 22 -2,-0.6 121,-0.1 1,-0.1 -3,-0.0 -0.285 24.2-126.8 -83.5 170.3 5.7 31.2 31.5 81 88 A H S S+ 0 0 163 2,-0.1 118,-0.1 119,-0.1 2,-0.1 0.209 94.6 57.5 -95.5 14.3 2.4 30.6 33.3 82 89 A G S S- 0 0 22 116,-0.1 118,-0.2 219,-0.0 -2,-0.0 -0.244 105.4 -71.1-112.8-150.1 4.3 28.8 36.0 83 90 A V E -b 200 0B 83 116,-2.5 118,-2.0 -2,-0.1 2,-0.1 -0.940 46.0-126.4-110.8 115.3 7.1 29.7 38.3 84 91 A P E -b 201 0B 79 0, 0.0 2,-0.5 0, 0.0 118,-0.2 -0.445 31.9-118.9 -64.8 136.5 10.5 30.1 36.7 85 92 A Y 0 0 29 116,-2.8 128,-0.1 1,-0.2 127,-0.1 -0.671 360.0 360.0 -88.5 129.7 13.0 28.0 38.4 86 93 A E 0 0 153 -2,-0.5 -1,-0.2 126,-0.1 116,-0.0 0.259 360.0 360.0-134.0 360.0 16.2 29.3 40.2 87 ! 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 88 98 A A 0 0 141 0, 0.0 124,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 58.9 22.7 23.5 45.5 89 99 A V - 0 0 37 1,-0.1 127,-0.1 4,-0.0 123,-0.1 -0.782 360.0 -83.2-129.0 161.1 22.6 20.1 43.7 90 100 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.220 32.3-124.5 -65.0 156.6 24.7 17.1 43.0 91 101 A D S S+ 0 0 125 1,-0.2 2,-0.3 124,-0.0 124,-0.0 0.674 97.4 22.5 -74.5 -19.2 27.2 17.1 40.1 92 102 A K + 0 0 154 166,-0.1 2,-0.3 123,-0.1 166,-0.2 -0.987 69.2 168.7-142.4 148.5 25.5 13.9 38.7 93 103 A I E -C 257 0B 30 164,-2.5 164,-2.3 -2,-0.3 2,-0.3 -0.975 16.5-174.2-156.4 148.6 22.1 12.4 39.2 94 104 A D E > -C 256 0B 25 -2,-0.3 3,-2.2 162,-0.2 4,-0.3 -0.823 10.2-162.8-143.8 100.6 20.0 9.6 37.6 95 105 A W G > >S+ 0 0 31 160,-2.8 5,-1.5 -2,-0.3 3,-1.0 0.640 84.9 76.7 -67.3 -10.2 16.5 9.5 39.0 96 106 A R G > 5S+ 0 0 98 1,-0.2 3,-1.4 159,-0.2 -1,-0.3 0.866 88.7 61.7 -56.3 -33.4 16.1 5.9 37.6 97 107 A E G < 5S+ 0 0 166 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.679 100.8 51.8 -71.5 -18.7 18.3 4.9 40.6 98 108 A S G < 5S- 0 0 59 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.453 114.5-113.5 -92.6 -4.5 15.6 6.2 43.0 99 109 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.596 81.9 122.9 83.7 11.4 12.8 4.2 41.4 100 110 A Y < + 0 0 54 -5,-1.5 2,-0.4 33,-0.1 27,-0.2 0.340 55.1 74.2 -91.7 6.8 11.0 7.4 40.2 101 111 A V - 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