==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-09 3HWN . COMPND 2 MOLECULE: CATHEPSIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KENNY,A.MORLEY . 862 7 12 9 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 61 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 3 1 1 3 0 0 1 7 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 16 9 2 1 10 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 4 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 1 A A 0 0 94 0, 0.0 123,-0.1 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 131.7 27.3 0.6 -14.7 2 2 A P - 0 0 76 0, 0.0 3,-0.1 0, 0.0 125,-0.1 -0.099 360.0 -95.4 -84.4-174.4 30.6 2.5 -15.3 3 3 A R S S+ 0 0 201 1,-0.2 2,-0.3 -2,-0.0 0, 0.0 0.757 106.5 13.1 -75.5 -28.1 33.4 2.1 -17.9 4 4 A S - 0 0 65 167,-0.1 2,-0.4 123,-0.0 -1,-0.2 -0.984 60.9-167.2-152.6 147.1 35.5 -0.1 -15.6 5 5 A V E +A 170 0A 17 165,-2.1 165,-1.2 -2,-0.3 2,-0.4 -0.999 7.1 176.7-131.9 127.6 35.0 -2.0 -12.3 6 6 A D E > -A 169 0A 39 -2,-0.4 3,-0.6 163,-0.2 163,-0.2 -0.899 5.4-174.4-130.7 104.6 37.7 -3.4 -10.1 7 7 A W G > >S+ 0 0 32 161,-2.3 5,-1.4 -2,-0.4 3,-0.6 0.590 79.4 70.7 -73.5 -12.5 36.2 -4.9 -7.0 8 8 A R G > 5S+ 0 0 101 160,-0.3 3,-1.5 1,-0.2 5,-0.2 0.879 89.5 59.2 -68.3 -43.3 39.7 -5.6 -5.6 9 9 A E G < 5S+ 0 0 157 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.540 107.1 50.9 -60.4 -10.4 40.4 -1.9 -5.0 10 10 A K G < 5S- 0 0 155 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.333 118.4-102.4-114.5 4.1 37.3 -1.9 -2.7 11 11 A G T < 5S+ 0 0 26 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.279 86.3 116.4 98.8 -9.5 38.0 -4.9 -0.3 12 12 A Y < + 0 0 32 -5,-1.4 2,-0.4 156,-0.1 27,-0.2 0.550 65.2 65.6 -66.0 -15.4 35.7 -7.6 -1.9 13 13 A V - 0 0 20 -6,-0.3 -2,-0.1 -5,-0.2 3,-0.1 -0.937 60.4-156.5-128.4 137.7 38.4 -10.0 -2.9 14 14 A T - 0 0 9 -2,-0.4 3,-0.1 1,-0.2 22,-0.0 -0.442 45.9 -67.5 -93.8 170.5 41.1 -12.1 -1.2 15 15 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.028 59.3 -89.9 -49.2 160.4 44.4 -13.4 -2.7 16 16 A V - 0 0 26 174,-0.2 169,-0.4 -3,-0.1 2,-0.2 -0.640 46.9-159.2 -78.9 136.9 44.5 -15.9 -5.5 17 17 A K - 0 0 37 164,-0.4 167,-2.6 -2,-0.3 2,-0.4 -0.531 13.2-123.8-115.3 176.0 44.6 -19.6 -4.3 18 18 A N B -I 183 0B 71 165,-0.3 165,-0.3 -2,-0.2 3,-0.1 -0.991 4.5-155.9-129.0 122.7 45.7 -22.9 -5.8 19 19 A Q > - 0 0 15 163,-2.8 3,-0.6 -2,-0.4 2,-0.2 0.508 30.2-145.4 -77.0 -2.5 43.4 -25.8 -6.1 20 20 A G T 3 - 0 0 23 1,-0.2 -1,-0.3 162,-0.2 73,-0.0 -0.550 58.6 -44.0 70.0-139.7 46.2 -28.4 -6.2 21 21 A Q T 3 S+ 0 0 143 -2,-0.2 -1,-0.2 72,-0.2 -2,-0.1 0.607 109.1 112.0 -98.7 -15.3 45.4 -31.4 -8.5 22 22 A a S < S- 0 0 8 -3,-0.6 2,-1.5 71,-0.1 3,-0.3 -0.289 72.1-130.8 -53.0 135.5 41.8 -31.7 -7.0 23 23 A G + 0 0 31 42,-0.7 3,-0.2 1,-0.2 -1,-0.1 -0.434 68.6 122.1 -90.1 62.8 39.1 -30.8 -9.6 24 24 A S >> + 0 0 0 -2,-1.5 3,-4.8 -5,-0.2 4,-0.6 0.396 13.5 134.8-107.0 0.5 37.3 -28.4 -7.2 25 25 A C H 3> S+ 0 0 17 1,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.623 71.8 64.7 -27.3 -31.4 37.4 -25.1 -9.2 26 26 A W H 3> S+ 0 0 2 -3,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.758 97.7 52.8 -67.2 -30.1 33.7 -24.8 -8.2 27 27 A A H <> S+ 0 0 0 -3,-4.8 4,-2.3 2,-0.2 -1,-0.2 0.883 114.1 42.4 -71.1 -40.8 34.6 -24.5 -4.5 28 28 A F H X S+ 0 0 15 -4,-0.6 4,-2.2 2,-0.2 3,-0.3 0.995 114.3 49.5 -68.8 -64.7 37.1 -21.7 -5.3 29 29 A S H X S+ 0 0 3 -4,-2.8 4,-1.3 135,-0.5 -2,-0.2 0.856 116.3 45.4 -28.6 -51.3 34.7 -19.9 -7.7 30 30 A A H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.838 109.2 51.3 -79.4 -38.0 31.9 -20.2 -5.1 31 31 A T H X S+ 0 0 1 -4,-2.3 4,-2.0 -3,-0.3 -1,-0.2 0.769 110.1 53.3 -65.1 -29.0 34.0 -19.0 -2.0 32 32 A G H X S+ 0 0 4 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.849 111.2 44.2 -71.4 -37.2 35.1 -16.0 -4.0 33 33 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.928 117.4 44.8 -75.0 -44.2 31.5 -15.0 -4.9 34 34 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.893 107.9 62.8 -62.5 -36.3 30.4 -15.7 -1.3 35 35 A E H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 11,-0.3 0.897 108.7 37.7 -52.1 -52.1 33.6 -13.7 -0.2 36 36 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.765 115.1 52.9 -78.0 -29.2 32.5 -10.4 -1.8 37 37 A Q H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.799 110.5 48.7 -73.0 -34.2 28.8 -10.7 -1.0 38 38 A M H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.5 0.886 111.5 50.3 -68.1 -39.7 29.7 -11.3 2.7 39 39 A F H X S+ 0 0 43 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.935 106.4 56.4 -59.2 -47.7 31.9 -8.3 2.5 40 40 A R H < S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.940 116.8 32.8 -45.3 -57.9 29.0 -6.3 1.0 41 41 A K H < S+ 0 0 153 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.858 133.3 25.7 -76.4 -38.2 26.7 -7.1 4.0 42 42 A T H < S- 0 0 54 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.634 88.3-134.4-103.8 -20.2 29.2 -7.2 6.9 43 43 A G S < S+ 0 0 49 -4,-2.7 2,-0.5 -5,-0.5 -4,-0.2 0.517 72.2 109.0 72.8 5.8 32.1 -5.0 5.7 44 44 A R - 0 0 188 -6,-0.4 2,-0.5 -5,-0.1 -1,-0.2 -0.975 62.1-143.8-114.1 126.0 34.7 -7.6 6.9 45 45 A L + 0 0 66 -2,-0.5 2,-0.4 -3,-0.1 -9,-0.1 -0.783 27.0 174.4 -87.3 122.7 36.6 -9.7 4.3 46 46 A I - 0 0 77 -2,-0.5 2,-0.2 -11,-0.3 -8,-0.1 -0.994 32.4-119.1-135.6 132.8 37.2 -13.3 5.5 47 47 A S - 0 0 39 -2,-0.4 39,-1.7 1,-0.0 40,-0.4 -0.493 34.6-147.4 -69.7 133.9 38.7 -16.3 3.7 48 48 A L B -J 85 0C 4 37,-0.3 2,-0.9 -2,-0.2 37,-0.3 -0.606 19.2 -96.6-108.6 164.0 36.2 -19.2 3.4 49 49 A S > + 0 0 0 35,-2.7 4,-1.3 -2,-0.2 35,-0.2 -0.700 30.2 176.5 -93.0 104.8 36.6 -23.0 3.5 50 50 A E H > S+ 0 0 2 -2,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.733 86.1 58.8 -66.3 -27.1 36.8 -24.6 0.1 51 51 A Q H > S+ 0 0 0 38,-0.5 4,-2.9 2,-0.2 5,-0.3 0.914 100.2 57.0 -69.5 -42.1 37.4 -28.0 1.9 52 52 A N H > S+ 0 0 0 37,-0.3 4,-1.7 1,-0.2 5,-0.3 0.928 108.7 45.6 -53.7 -51.7 34.1 -27.6 3.7 53 53 A L H X S+ 0 0 2 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.930 114.3 49.9 -55.1 -46.2 32.3 -27.3 0.4 54 54 A V H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 117.7 36.0 -64.5 -41.8 34.3 -30.3 -1.0 55 55 A D H < S+ 0 0 17 -4,-2.9 43,-0.3 1,-0.1 -1,-0.2 0.749 128.5 32.0 -80.4 -27.1 33.7 -32.8 1.9 56 56 A b H < S+ 0 0 11 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.574 94.8 78.2-116.3 -15.2 30.1 -31.7 2.7 57 57 A S >X> + 0 0 0 -4,-1.9 5,-1.6 -5,-0.3 4,-1.0 0.269 62.0 103.0 -90.8 12.8 28.3 -30.6 -0.5 58 58 A G G >45S+ 0 0 41 1,-0.2 3,-0.8 3,-0.2 -1,-0.2 0.893 74.8 57.9 -52.3 -53.8 27.6 -34.1 -1.8 59 59 A P G 345S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.719 106.6 49.9 -49.2 -28.7 23.9 -34.1 -0.7 60 60 A Q G <45S- 0 0 34 -3,-0.6 -2,-0.2 -4,-0.1 -3,-0.1 0.711 131.8 -92.1 -88.7 -22.8 23.4 -31.0 -2.9 61 61 A G T <<5S+ 0 0 30 -4,-1.0 -3,-0.2 -3,-0.8 2,-0.1 0.196 76.1 136.5 139.6 -13.8 25.1 -32.7 -5.9 62 62 A N < - 0 0 9 -5,-1.6 -1,-0.3 7,-0.1 6,-0.3 -0.337 41.1-152.9 -69.9 138.3 28.8 -32.0 -5.9 63 63 A E > - 0 0 129 4,-2.7 3,-2.7 1,-0.3 4,-0.3 -0.177 30.0-135.4-103.8 36.9 31.2 -34.8 -6.7 64 64 A G G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 -0.140 83.5 2.0 47.0-131.0 34.2 -33.3 -4.8 65 65 A a G 3 S+ 0 0 35 1,-0.3 -42,-0.7 -3,-0.1 -1,-0.3 0.558 130.3 63.7 -64.7 -10.5 37.4 -33.5 -6.8 66 66 A N G < S- 0 0 149 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.663 121.4 -74.1 -84.4 -16.2 35.4 -35.2 -9.7 67 67 A G < - 0 0 21 -3,-2.2 -4,-2.7 -4,-0.3 -1,-0.3 -0.720 49.3-171.1 143.9 169.3 33.4 -31.9 -10.1 68 68 A G - 0 0 27 -6,-0.3 2,-0.4 -2,-0.2 3,-0.1 -0.964 22.5-109.4-170.1 176.6 30.8 -29.6 -8.8 69 69 A L > - 0 0 84 -2,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.999 16.3-137.3-127.5 135.0 28.6 -26.6 -9.4 70 70 A M H >> S+ 0 0 17 -2,-0.4 4,-2.3 1,-0.2 3,-0.5 0.874 107.7 57.8 -43.4 -48.7 28.8 -23.2 -7.7 71 71 A D H 3> S+ 0 0 41 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.895 104.8 49.3 -55.8 -47.5 24.9 -23.2 -7.5 72 72 A Y H 3> S+ 0 0 96 -3,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.763 109.2 54.8 -61.7 -30.2 25.0 -26.5 -5.5 73 73 A A H XX S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.5 3,-0.5 0.959 107.5 45.8 -72.7 -52.7 27.6 -25.0 -3.2 74 74 A F H 3X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 37,-0.2 0.945 112.3 54.8 -49.6 -48.6 25.6 -21.9 -2.2 75 75 A Q H 3X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.769 104.9 53.1 -59.4 -31.1 22.7 -24.3 -1.8 76 76 A Y H S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 5,-1.1 0.951 113.8 45.9 -61.8 -51.5 25.5 -23.2 2.7 78 78 A Q H ><5S+ 0 0 73 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.961 116.4 43.3 -48.1 -63.7 21.8 -22.4 2.8 79 79 A D H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.826 121.2 40.5 -56.3 -40.4 20.7 -26.0 3.7 80 80 A N H 3<5S- 0 0 67 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.618 105.9-125.3 -87.6 -16.0 23.4 -26.5 6.3 81 81 A G T <<5S+ 0 0 38 -4,-1.7 2,-0.3 -3,-0.6 -3,-0.2 0.627 72.1 21.0 80.0 14.2 23.2 -23.0 7.7 82 82 A G < - 0 0 0 -5,-1.1 2,-0.3 -6,-0.3 26,-0.2 -0.920 53.9-130.2 172.6 164.8 26.9 -22.1 7.2 83 83 A L E -K 107 0D 2 24,-1.6 23,-1.7 -2,-0.3 24,-1.1 -0.937 31.7-127.4-124.9 153.8 30.4 -22.2 5.9 84 84 A D E -K 105 0D 0 -2,-0.3 -35,-2.7 21,-0.2 21,-0.2 -0.671 25.2-109.0 -96.0 154.9 33.6 -22.4 7.9 85 85 A S B > -J 48 0C 17 19,-1.1 4,-1.4 -37,-0.3 -37,-0.3 -0.341 24.8-116.4 -70.4 162.2 36.6 -20.1 7.5 86 86 A E T 4 S+ 0 0 36 -39,-1.7 -38,-0.1 2,-0.2 -1,-0.1 0.746 114.4 64.7 -73.0 -27.2 39.9 -21.2 6.0 87 87 A E T 4 S+ 0 0 169 -40,-0.4 -1,-0.2 1,-0.2 -39,-0.1 0.985 112.6 33.0 -48.1 -59.6 41.6 -20.6 9.4 88 88 A S T 4 S+ 0 0 36 1,-0.2 -2,-0.2 16,-0.2 -1,-0.2 0.706 129.6 33.0 -75.0 -26.9 39.4 -23.3 11.0 89 89 A Y S < S- 0 0 8 -4,-1.4 -38,-0.5 15,-0.1 -37,-0.3 -0.747 82.0-159.1-142.0 78.2 39.1 -25.7 8.1 90 90 A P - 0 0 76 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.273 23.5-102.3 -72.4 152.7 42.3 -25.7 5.9 91 91 A Y + 0 0 53 1,-0.1 -5,-0.0 -5,-0.1 -42,-0.0 -0.605 36.7 170.8 -85.2 118.7 42.6 -26.9 2.2 92 92 A E - 0 0 105 -2,-0.5 -1,-0.1 2,-0.3 3,-0.1 0.089 44.3-124.6-113.9 19.7 44.1 -30.3 1.6 93 93 A A S S+ 0 0 38 1,-0.1 2,-0.3 -71,-0.1 -72,-0.2 0.740 80.4 100.2 43.1 31.0 43.4 -30.8 -2.1 94 94 A T S S- 0 0 56 -72,-0.1 2,-0.5 -73,-0.1 -2,-0.3 -0.997 76.4-116.0-147.8 143.9 41.7 -34.1 -1.1 95 95 A E + 0 0 109 -2,-0.3 2,-0.2 -3,-0.1 -40,-0.1 -0.712 48.8 148.6 -84.1 128.0 38.2 -35.5 -0.5 96 96 A E - 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