==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-10 2XU5 . COMPND 2 MOLECULE: CATHEPSIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,J.M.BENZ,W.HAAP . 216 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 18.5 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 99 0, 0.0 123,-0.1 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 158.2 0.5 22.8 8.8 2 2 A P - 0 0 75 0, 0.0 3,-0.1 0, 0.0 125,-0.1 -0.237 360.0-123.7 -55.0 150.2 1.7 26.4 8.9 3 3 A R S S+ 0 0 217 1,-0.2 2,-0.3 169,-0.0 0, 0.0 0.720 92.0 19.0 -71.5 -20.5 4.5 27.1 6.5 4 4 A S - 0 0 76 167,-0.1 2,-0.3 123,-0.0 167,-0.2 -0.994 60.5-177.0-152.5 148.8 6.7 28.4 9.3 5 5 A V E +A 170 0A 22 165,-2.4 165,-2.0 -2,-0.3 2,-0.2 -0.986 2.7 177.2-142.1 138.8 6.8 28.2 13.1 6 6 A D E > -A 169 0A 30 -2,-0.3 3,-1.0 163,-0.2 4,-0.4 -0.707 9.1-175.3-147.9 98.8 9.2 29.8 15.6 7 7 A W G > >S+ 0 0 34 161,-3.0 5,-1.8 1,-0.2 3,-0.6 0.650 80.0 74.8 -64.2 -18.2 8.7 29.3 19.3 8 8 A R G > 5S+ 0 0 103 160,-0.4 3,-1.1 1,-0.2 5,-0.3 0.892 93.4 54.4 -58.4 -41.7 11.5 31.7 20.2 9 9 A E G < 5S+ 0 0 138 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.716 104.8 52.8 -61.3 -31.1 9.1 34.5 19.2 10 10 A K G < 5S- 0 0 125 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.386 118.2-107.5 -92.7 -0.3 6.4 33.3 21.7 11 11 A G T < 5S+ 0 0 29 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.707 83.0 123.2 85.4 25.6 8.8 33.2 24.7 12 12 A Y < + 0 0 30 -5,-1.8 2,-0.5 156,-0.1 27,-0.2 0.528 58.0 76.1 -90.9 -8.5 9.1 29.4 25.0 13 13 A V - 0 0 21 -6,-0.4 3,-0.1 -5,-0.3 -1,-0.1 -0.915 64.0-148.7-125.7 122.7 12.9 29.4 24.7 14 14 A T - 0 0 7 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.334 45.1 -80.9 -75.1 160.1 15.7 30.3 27.1 15 15 A P - 0 0 110 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.133 63.1 -74.6 -53.7 161.2 19.0 31.7 25.8 16 16 A V - 0 0 32 177,-0.2 172,-0.3 -3,-0.1 2,-0.2 -0.409 51.3-158.7 -69.2 132.5 21.7 29.4 24.4 17 17 A K - 0 0 30 167,-0.4 170,-2.4 170,-0.2 2,-0.4 -0.517 10.9-130.3-106.6 172.0 23.6 27.4 27.0 18 18 A N B -I 186 0B 94 168,-0.2 168,-0.2 -2,-0.2 167,-0.0 -0.958 7.8-164.5-134.9 111.9 27.0 25.7 26.7 19 19 A Q - 0 0 16 166,-3.1 3,-0.4 -2,-0.4 167,-0.1 0.666 32.3-164.6 -72.4 -17.0 27.5 22.0 27.8 20 20 A G - 0 0 33 165,-0.3 2,-0.6 1,-0.2 -1,-0.2 -0.320 54.4 -20.5 67.0-144.0 31.2 22.5 27.9 21 21 A Q S S+ 0 0 199 72,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.230 113.7 92.3 -97.8 43.5 33.6 19.5 28.0 22 22 A a S S- 0 0 8 -2,-0.6 2,-1.9 -3,-0.4 44,-0.1 -0.997 79.6-123.7-138.7 136.7 31.0 17.1 29.3 23 23 A G B +j 66 0C 28 42,-2.0 44,-0.8 -2,-0.4 3,-0.2 -0.483 69.3 122.3 -85.7 68.7 28.7 14.9 27.2 24 24 A S >> + 0 0 0 -2,-1.9 4,-1.5 1,-0.1 3,-1.3 -0.093 19.4 125.5-121.2 25.1 25.4 16.1 28.6 25 25 A C H 3> S+ 0 0 16 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.862 74.0 60.2 -56.0 -37.1 23.8 17.3 25.4 26 26 A W H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.842 101.1 53.1 -60.2 -34.1 20.9 15.1 26.3 27 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.905 109.1 48.4 -72.5 -36.9 20.4 17.1 29.6 28 28 A F H X S+ 0 0 16 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.886 110.3 51.0 -66.7 -40.3 20.2 20.4 27.6 29 29 A S H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.932 112.6 47.6 -63.3 -41.5 17.7 19.0 25.1 30 30 A A H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.926 113.4 44.9 -68.1 -47.2 15.5 17.8 28.0 31 31 A T H X S+ 0 0 1 -4,-2.4 4,-3.6 2,-0.2 5,-0.2 0.934 112.6 54.4 -60.7 -43.9 15.5 21.0 30.0 32 32 A G H X S+ 0 0 3 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.924 111.3 44.1 -52.5 -49.6 14.9 22.8 26.7 33 33 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.906 116.1 46.2 -62.3 -44.8 11.8 20.7 26.1 34 34 A L H X S+ 0 0 2 -4,-2.9 4,-3.4 2,-0.2 5,-0.3 0.908 107.3 57.4 -66.2 -45.1 10.6 21.0 29.7 35 35 A E H X S+ 0 0 3 -4,-3.6 4,-1.9 1,-0.2 11,-0.2 0.900 109.2 48.1 -47.2 -47.8 11.2 24.8 29.7 36 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.926 114.6 42.8 -58.2 -49.9 8.9 25.0 26.7 37 37 A Q H X S+ 0 0 13 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.870 113.8 51.2 -72.3 -37.5 6.1 22.9 28.2 38 38 A M H X S+ 0 0 23 -4,-3.4 4,-3.2 2,-0.2 6,-0.4 0.869 111.8 48.2 -61.6 -40.3 6.3 24.6 31.6 39 39 A F H X S+ 0 0 40 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.910 107.8 54.3 -70.5 -40.1 6.1 28.0 29.9 40 40 A R H < S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.806 118.2 38.3 -57.7 -29.8 3.1 26.7 27.9 41 41 A K H < S+ 0 0 131 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.877 132.0 19.7 -88.7 -42.6 1.6 25.8 31.2 42 42 A T H < S- 0 0 70 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.2 0.610 84.7-128.6-110.5 -18.5 2.6 28.7 33.6 43 43 A G S < S+ 0 0 51 -4,-2.3 2,-0.5 -5,-0.3 -4,-0.2 0.422 77.7 112.0 78.2 -2.0 3.6 31.7 31.4 44 44 A R - 0 0 170 -6,-0.4 2,-0.8 -5,-0.1 -1,-0.3 -0.916 60.4-150.8-103.1 124.6 6.7 31.8 33.3 45 45 A L + 0 0 67 -2,-0.5 2,-0.5 -3,-0.1 -9,-0.1 -0.880 24.2 175.3 -93.1 110.0 9.9 31.0 31.4 46 46 A I - 0 0 49 -2,-0.8 -8,-0.1 -11,-0.2 -32,-0.1 -0.972 28.4-126.5-123.6 121.4 12.3 29.5 34.0 47 47 A S - 0 0 38 -2,-0.5 39,-1.6 1,-0.1 40,-0.4 -0.255 31.4-138.3 -59.9 149.3 15.8 28.0 33.1 48 48 A L B -K 85 0D 2 37,-0.3 2,-0.9 38,-0.2 37,-0.2 -0.807 14.1-100.9-123.3 156.6 16.4 24.5 34.4 49 49 A S > + 0 0 0 35,-2.1 4,-1.1 -2,-0.3 35,-0.1 -0.655 27.8 175.7 -83.5 104.2 19.2 22.5 36.0 50 50 A E H > S+ 0 0 0 -2,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.771 87.1 61.4 -64.5 -31.7 21.0 20.2 33.6 51 51 A Q H > S+ 0 0 1 38,-0.5 4,-2.7 2,-0.2 5,-0.3 0.883 98.8 54.4 -63.1 -36.7 23.3 19.5 36.6 52 52 A N H > S+ 0 0 0 37,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.894 112.4 44.4 -61.5 -42.3 20.2 18.1 38.4 53 53 A L H X S+ 0 0 2 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.934 114.9 47.7 -63.6 -46.5 19.7 15.8 35.4 54 54 A V H < S+ 0 0 2 -4,-2.8 10,-0.2 1,-0.2 -2,-0.2 0.893 119.1 38.1 -65.1 -45.6 23.4 14.8 35.1 55 55 A D H < S+ 0 0 15 -4,-2.7 43,-0.4 -5,-0.2 -1,-0.2 0.748 126.0 34.1 -73.8 -30.1 23.9 14.0 38.8 56 56 A b H < S+ 0 0 10 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.594 96.0 72.4-115.2 -10.9 20.6 12.4 39.5 57 57 A S <> + 0 0 0 -4,-2.0 5,-2.1 1,-0.2 4,-0.4 0.097 60.2 106.9-100.6 22.6 19.2 10.4 36.5 58 58 A G T > 5S+ 0 0 39 1,-0.2 3,-1.7 3,-0.2 -1,-0.2 0.940 77.8 56.7 -56.3 -48.9 21.6 7.4 36.7 59 59 A P T 3 5S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.835 104.3 53.4 -51.5 -36.9 18.8 5.2 38.0 60 60 A Q T 3 5S- 0 0 34 -4,-0.1 -2,-0.2 12,-0.1 -3,-0.1 0.529 131.6 -87.1 -79.1 -8.7 16.7 6.0 35.0 61 61 A G T < 5S+ 0 0 36 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.1 0.331 82.1 132.5 121.6 -8.6 19.4 4.9 32.5 62 62 A N < - 0 0 4 -5,-2.1 -1,-0.3 10,-0.1 6,-0.2 -0.408 44.1-152.0 -79.0 154.9 21.5 8.1 31.9 63 63 A E > - 0 0 129 4,-2.9 3,-2.4 1,-0.3 5,-0.1 -0.170 27.3-133.7-122.5 37.5 25.3 8.1 32.1 64 64 A G T > S+ 0 0 1 1,-0.3 3,-1.3 -10,-0.2 -1,-0.3 -0.231 85.3 1.2 56.1-123.8 26.2 11.6 33.2 65 65 A a T 3 S+ 0 0 31 1,-0.3 -42,-2.0 -41,-0.1 -1,-0.3 0.335 129.2 65.4 -78.2 2.8 28.9 13.2 31.1 66 66 A N B < S-j 23 0C 148 -3,-2.4 -1,-0.3 1,-0.4 -2,-0.2 0.266 116.0 -85.9-105.3 5.0 29.1 10.1 28.9 67 67 A G < - 0 0 21 -3,-1.3 -4,-2.9 -44,-0.8 -1,-0.4 -0.416 46.4-177.6 118.4 172.7 25.6 10.4 27.5 68 68 A G - 0 0 26 -6,-0.2 2,-0.4 -5,-0.1 -6,-0.1 -0.967 30.5 -83.6 175.8-176.7 21.9 9.7 28.1 69 69 A L > - 0 0 90 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.925 18.6-136.1-116.9 138.9 18.4 10.0 26.7 70 70 A M H >> S+ 0 0 16 -2,-0.4 4,-2.3 1,-0.2 3,-0.6 0.946 109.1 53.2 -50.0 -50.6 16.0 12.8 26.8 71 71 A D H 3> S+ 0 0 27 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.792 106.0 53.5 -55.2 -36.2 13.1 10.3 27.7 72 72 A Y H 3> S+ 0 0 98 2,-0.2 4,-1.8 -3,-0.2 -1,-0.3 0.821 109.2 48.6 -67.7 -34.7 15.2 9.0 30.6 73 73 A A H S+ 0 0 2 -4,-2.1 4,-0.9 2,-0.2 5,-0.7 0.927 113.2 44.9 -59.3 -44.7 11.5 14.2 36.5 78 78 A Q H ><5S+ 0 0 79 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.931 116.9 45.3 -64.3 -45.1 8.3 12.2 36.8 79 79 A D H 3<5S+ 0 0 99 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 114.8 49.2 -59.6 -43.2 9.9 9.7 39.2 80 80 A N H 3<5S- 0 0 52 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.533 104.7-121.7 -81.8 -10.8 11.5 12.4 41.3 81 81 A G T <<5S- 0 0 41 -4,-0.9 2,-0.3 -3,-0.6 -3,-0.1 0.434 77.4 -17.7 79.2 -1.9 8.5 14.7 41.8 82 82 A G < - 0 0 0 -5,-0.7 2,-0.4 -6,-0.3 26,-0.2 -0.953 61.5 -99.6 164.0-177.0 10.3 17.6 40.1 83 83 A L E -L 107 0E 0 24,-1.5 23,-2.3 -2,-0.3 24,-1.2 -0.999 32.4-119.1-139.2 138.6 13.3 19.4 38.8 84 84 A D E -L 105 0E 3 -2,-0.4 -35,-2.1 21,-0.3 21,-0.3 -0.356 33.6-106.4 -68.5 147.6 15.4 22.3 40.4 85 85 A S B > -K 48 0D 15 19,-1.8 4,-1.7 -37,-0.2 -37,-0.3 -0.365 28.5-114.6 -64.6 156.2 15.7 25.6 38.6 86 86 A E T 4 S+ 0 0 36 -39,-1.6 -38,-0.2 1,-0.2 5,-0.1 0.760 114.7 62.7 -61.2 -31.3 19.1 26.4 37.0 87 87 A E T 4 S+ 0 0 188 -40,-0.4 -1,-0.2 1,-0.2 -39,-0.1 0.963 109.9 36.7 -60.2 -52.5 19.5 29.2 39.5 88 88 A S T 4 S+ 0 0 37 1,-0.2 -2,-0.2 16,-0.2 -1,-0.2 0.805 125.1 37.9 -71.7 -34.8 19.5 26.9 42.5 89 89 A Y S < S- 0 0 15 -4,-1.7 -38,-0.5 15,-0.1 -37,-0.4 -0.666 86.9-159.9-124.0 77.2 21.4 24.0 41.0 90 90 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.094 21.6-101.9 -67.0 154.0 24.1 25.5 38.7 91 91 A Y + 0 0 47 1,-0.1 -42,-0.0 -5,-0.1 -5,-0.0 -0.573 36.6 171.0 -84.8 130.8 25.9 23.7 35.9 92 92 A E - 0 0 104 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.544 39.9-128.4-116.2 -11.4 29.5 22.4 36.5 93 93 A A S S+ 0 0 34 1,-0.2 2,-0.3 -73,-0.1 -72,-0.1 0.839 80.6 88.9 60.8 35.5 30.3 20.3 33.3 94 94 A T S S- 0 0 63 -72,-0.1 2,-0.6 2,-0.0 -2,-0.3 -0.979 83.5-109.0-154.4 148.7 31.3 17.4 35.6 95 95 A E + 0 0 94 -2,-0.3 2,-0.2 -3,-0.1 -40,-0.1 -0.761 48.6 158.7 -84.4 123.7 29.5 14.5 37.2 96 96 A E - 0 0 78 -2,-0.6 2,-0.1 -45,-0.2 3,-0.1 -0.720 47.4 -67.3-128.6-179.9 29.2 15.0 40.9 97 97 A S - 0 0 96 -2,-0.2 -41,-0.1 1,-0.1 -42,-0.1 -0.407 63.0 -86.9 -75.3 153.8 26.9 13.4 43.5 98 98 A b + 0 0 69 -43,-0.4 -1,-0.1 1,-0.1 -46,-0.1 -0.221 40.5 174.4 -61.0 147.0 23.1 14.2 43.4 99 99 A K + 0 0 118 -3,-0.1 -1,-0.1 -47,-0.1 2,-0.1 0.040 10.9 165.3-143.8 27.6 21.8 17.3 45.3 100 100 A Y - 0 0 46 -48,-0.1 3,-0.1 1,-0.1 5,-0.0 -0.284 17.9-163.7 -56.8 121.5 18.0 17.6 44.5 101 101 A N > - 0 0 68 1,-0.1 3,-1.0 -2,-0.1 4,-0.2 -0.930 9.8-154.5-107.6 108.3 16.3 20.0 46.9 102 102 A P G > S+ 0 0 96 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.722 94.8 56.0 -53.5 -25.4 12.5 19.5 46.7 103 103 A K G 3 S+ 0 0 190 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.863 103.3 53.4 -75.1 -38.9 12.0 23.1 47.8 104 104 A Y G < S+ 0 0 138 -3,-1.0 -19,-1.8 -16,-0.0 2,-0.4 0.211 84.6 121.1 -79.9 11.2 14.1 24.6 45.0 105 105 A S E < +L 84 0E 36 -3,-0.7 -21,-0.3 -21,-0.3 3,-0.0 -0.643 29.9 168.9 -84.7 133.8 12.0 22.7 42.3 106 106 A V E + 0 0 52 -23,-2.3 2,-0.3 -2,-0.4 -22,-0.2 0.347 58.8 47.4-121.6 2.5 10.2 24.7 39.6 107 107 A A E +L 83 0E 4 -24,-1.2 -24,-1.5 -30,-0.0 2,-0.3 -0.954 49.2 171.3-142.6 159.0 9.1 22.0 37.1 108 108 A N - 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