==== 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 2XU1 . COMPND 2 MOLECULE: CATHEPSIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,J.M.BENZ,S.STEINBACHER,W.HAAP . 869 6 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 17.7 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 57 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 2 0 4 0 0 3 5 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 16 8 4 0 10 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 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 99 0, 0.0 123,-0.1 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 163.8 27.1 1.2 -15.4 2 2 A P - 0 0 71 0, 0.0 3,-0.1 0, 0.0 125,-0.1 -0.226 360.0-119.8 -65.9 160.2 30.7 2.5 -14.9 3 3 A R S S+ 0 0 213 1,-0.2 2,-0.3 169,-0.0 0, 0.0 0.829 96.0 15.0 -71.2 -30.3 33.2 2.1 -17.7 4 4 A S - 0 0 63 167,-0.1 2,-0.3 123,-0.0 167,-0.2 -0.995 63.5-171.0-145.8 151.5 35.5 0.0 -15.5 5 5 A V E +A 170 0A 21 165,-2.6 165,-1.8 -2,-0.3 2,-0.2 -0.990 7.7 176.7-141.0 141.4 35.2 -1.9 -12.2 6 6 A D E > -A 169 0A 28 -2,-0.3 3,-1.0 163,-0.2 4,-0.4 -0.779 7.6-171.5-146.4 98.2 37.8 -3.5 -9.9 7 7 A W T 3 >S+ 0 0 31 161,-3.1 5,-1.9 1,-0.2 3,-0.4 0.632 79.7 74.3 -69.3 -11.2 36.4 -5.0 -6.7 8 8 A R T > 5S+ 0 0 98 160,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.894 91.8 55.3 -67.3 -38.3 39.9 -5.7 -5.4 9 9 A E T < 5S+ 0 0 157 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.704 105.4 54.4 -68.8 -15.9 40.4 -1.9 -4.7 10 10 A K T 3 5S- 0 0 138 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.428 117.8-108.1 -95.7 -0.2 37.2 -2.0 -2.6 11 11 A G T < 5S+ 0 0 28 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.645 84.7 119.2 86.1 16.5 38.3 -4.8 -0.2 12 12 A Y < + 0 0 33 -5,-1.9 2,-0.4 156,-0.1 27,-0.2 0.550 59.0 69.4 -86.7 -10.4 36.0 -7.5 -1.6 13 13 A V - 0 0 21 -6,-0.3 -2,-0.1 -5,-0.2 3,-0.1 -0.946 64.0-147.1-126.8 128.7 38.6 -10.0 -2.8 14 14 A T - 0 0 10 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.304 44.9 -79.2 -75.8 167.3 41.1 -12.3 -1.0 15 15 A P - 0 0 110 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.165 63.4 -75.3 -62.8 165.3 44.5 -13.1 -2.5 16 16 A V - 0 0 31 176,-0.2 171,-0.3 -3,-0.1 2,-0.2 -0.435 52.0-158.1 -66.1 135.1 44.8 -15.7 -5.2 17 17 A K - 0 0 31 166,-0.5 169,-2.4 169,-0.2 2,-0.4 -0.592 10.5-129.8-108.3 171.6 44.5 -19.3 -4.0 18 18 A N B -I 185 0B 64 167,-0.3 167,-0.2 -2,-0.2 166,-0.0 -0.957 8.2-165.9-130.2 114.6 45.7 -22.6 -5.4 19 19 A Q - 0 0 16 165,-2.9 166,-0.1 -2,-0.4 5,-0.1 0.675 30.8-165.9 -71.3 -16.6 43.4 -25.6 -5.8 20 20 A G - 0 0 26 164,-0.3 2,-1.4 1,-0.2 -1,-0.2 -0.265 58.1 -18.5 64.7-147.9 46.4 -27.9 -6.5 21 21 A Q S S+ 0 0 159 2,-0.1 2,-0.3 72,-0.1 -1,-0.2 -0.444 111.6 97.3 -93.0 62.5 45.8 -31.4 -7.9 22 22 A a S S- 0 0 9 -2,-1.4 2,-2.4 -3,-0.1 3,-0.1 -0.971 78.0-123.8-148.6 134.8 42.1 -31.5 -7.0 23 23 A G S S+ 0 0 28 42,-2.0 44,-0.5 -2,-0.3 3,-0.3 -0.354 71.4 123.2 -77.2 58.7 39.1 -30.7 -9.3 24 24 A S >> + 0 0 0 -2,-2.4 3,-1.5 1,-0.2 4,-1.3 0.132 17.6 121.1-112.3 18.5 37.8 -28.1 -6.8 25 25 A C H 3> S+ 0 0 19 1,-0.3 4,-2.8 2,-0.2 3,-0.3 0.851 75.1 59.7 -47.9 -44.9 37.7 -25.0 -9.1 26 26 A W H 3> S+ 0 0 2 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.827 102.6 51.7 -52.0 -36.5 33.9 -24.8 -8.3 27 27 A A H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.830 110.9 46.9 -75.1 -34.8 34.6 -24.5 -4.6 28 28 A F H X S+ 0 0 16 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.891 111.8 50.0 -74.4 -40.1 37.1 -21.6 -5.1 29 29 A S H X S+ 0 0 3 -4,-2.8 4,-1.9 135,-0.3 -2,-0.2 0.934 113.3 48.2 -59.3 -45.1 34.8 -19.8 -7.5 30 30 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.920 111.7 46.8 -63.5 -47.4 32.0 -20.2 -4.8 31 31 A T H X S+ 0 0 2 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.891 109.5 56.6 -64.0 -33.6 34.1 -19.0 -1.9 32 32 A G H X S+ 0 0 5 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.933 111.0 42.0 -63.6 -44.5 35.3 -16.0 -4.0 33 33 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.923 116.8 47.9 -69.5 -40.3 31.6 -14.9 -4.6 34 34 A L H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.884 108.1 55.2 -70.5 -36.0 30.6 -15.6 -1.0 35 35 A E H X S+ 0 0 2 -4,-3.3 4,-2.2 -5,-0.2 -1,-0.2 0.920 111.1 46.9 -55.6 -42.7 33.7 -13.7 0.3 36 36 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.943 113.6 44.9 -69.2 -45.6 32.6 -10.7 -1.7 37 37 A Q H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.886 111.9 53.1 -67.4 -37.4 28.9 -10.9 -0.6 38 38 A M H X S+ 0 0 27 -4,-2.9 4,-2.8 1,-0.2 6,-0.4 0.910 109.8 49.0 -61.9 -43.6 29.9 -11.4 3.0 39 39 A F H X S+ 0 0 42 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.910 108.4 53.2 -60.9 -42.5 32.1 -8.3 2.8 40 40 A R H < S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 117.2 39.4 -53.1 -43.9 29.2 -6.3 1.2 41 41 A K H < S+ 0 0 124 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.842 133.2 18.1 -79.4 -39.3 27.0 -7.3 4.1 42 42 A T H < S- 0 0 68 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.614 88.7-123.7-114.3 -16.9 29.5 -7.0 7.1 43 43 A G S < S+ 0 0 49 -4,-2.7 2,-0.5 -5,-0.4 -4,-0.2 0.550 78.3 112.1 77.1 12.6 32.4 -4.9 6.0 44 44 A R - 0 0 180 -6,-0.4 2,-0.7 -5,-0.1 -1,-0.2 -0.965 57.6-151.9-123.0 118.6 34.7 -7.8 6.9 45 45 A L + 0 0 66 -2,-0.5 2,-0.4 -6,-0.1 -9,-0.1 -0.828 23.5 173.3 -84.4 117.0 36.7 -9.9 4.4 46 46 A I - 0 0 66 -2,-0.7 2,-0.1 -11,-0.2 -8,-0.1 -0.991 34.5-119.9-127.1 124.2 37.2 -13.4 5.8 47 47 A S - 0 0 36 -2,-0.4 39,-2.8 1,-0.1 40,-0.5 -0.415 34.4-140.6 -63.1 131.0 38.8 -16.2 3.7 48 48 A L B -J 85 0C 2 37,-0.3 2,-0.8 38,-0.2 37,-0.2 -0.644 15.9-102.1-101.1 153.0 36.3 -19.0 3.4 49 49 A S > + 0 0 0 35,-2.5 4,-1.0 -2,-0.2 35,-0.1 -0.606 28.6 178.2 -82.5 109.1 36.9 -22.8 3.5 50 50 A E H > S+ 0 0 0 -2,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.829 86.4 60.9 -65.8 -35.0 36.9 -24.7 0.1 51 51 A Q H > S+ 0 0 0 38,-0.4 4,-2.8 1,-0.2 5,-0.3 0.888 98.4 56.7 -61.1 -42.5 37.7 -27.9 1.9 52 52 A N H > S+ 0 0 0 37,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.911 111.1 44.4 -50.2 -45.3 34.4 -27.5 3.8 53 53 A L H X S+ 0 0 2 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.920 113.8 49.2 -68.4 -43.5 32.7 -27.4 0.4 54 54 A V H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 10,-0.2 0.893 118.5 38.5 -61.9 -39.6 34.7 -30.3 -1.0 55 55 A D H < S+ 0 0 13 -4,-2.8 43,-0.4 -5,-0.2 -1,-0.2 0.748 127.3 28.8 -83.0 -29.1 34.0 -32.6 2.0 56 56 A b H < S+ 0 0 12 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.534 95.9 75.5-120.2 -13.1 30.4 -31.7 2.8 57 57 A S ><> + 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-0.7 0.209 58.5 107.7 -99.6 21.6 28.4 -30.6 -0.3 58 58 A G G > 5S+ 0 0 43 1,-0.2 3,-1.5 3,-0.2 -1,-0.2 0.873 74.6 60.5 -54.5 -43.5 27.9 -34.0 -1.8 59 59 A P G 3 5S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.797 101.7 52.9 -58.4 -27.6 24.2 -34.0 -0.8 60 60 A Q G < 5S- 0 0 36 -3,-0.7 -2,-0.2 -4,-0.1 -3,-0.1 0.598 132.7 -91.0 -84.9 -9.3 23.7 -30.8 -2.9 61 61 A G T < 5S+ 0 0 35 -3,-1.5 -3,-0.2 -4,-0.5 2,-0.1 0.339 79.3 138.5 117.9 3.0 25.2 -32.6 -6.0 62 62 A N < - 0 0 11 -5,-1.9 -1,-0.3 10,-0.1 6,-0.2 -0.412 42.2-151.1 -80.9 154.8 28.9 -31.8 -5.8 63 63 A E > - 0 0 128 4,-2.3 3,-2.7 1,-0.3 4,-0.2 -0.219 27.0-133.6-120.9 40.8 31.6 -34.4 -6.5 64 64 A G G > S- 0 0 3 1,-0.3 3,-1.1 -11,-0.2 -1,-0.3 -0.177 84.5 -0.4 57.3-125.3 34.5 -33.2 -4.4 65 65 A a G 3 S+ 0 0 27 1,-0.2 -42,-2.0 -11,-0.1 -1,-0.3 0.409 127.5 69.3 -79.1 -0.9 37.8 -33.3 -6.3 66 66 A N G < S- 0 0 147 -3,-2.7 -1,-0.2 1,-0.4 -2,-0.2 0.479 115.4 -82.6 -93.9 1.1 36.0 -34.6 -9.4 67 67 A G < + 0 0 20 -3,-1.1 -4,-2.3 -44,-0.5 -1,-0.4 -0.588 49.9 178.2 122.6 169.9 34.0 -31.4 -10.1 68 68 A G - 0 0 28 -6,-0.2 2,-0.4 -2,-0.2 -42,-0.1 -0.957 29.7 -88.8 174.8-174.1 30.9 -29.6 -8.9 69 69 A L > - 0 0 86 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.974 17.1-135.4-126.7 139.6 28.9 -26.4 -9.4 70 70 A M H > S+ 0 0 17 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.886 108.6 57.9 -56.9 -39.1 29.1 -23.1 -7.6 71 71 A D H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 104.1 50.7 -61.0 -39.1 25.3 -23.1 -7.3 72 72 A Y H > S+ 0 0 95 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.864 109.9 51.5 -63.7 -37.3 25.3 -26.5 -5.4 73 73 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.907 108.9 49.2 -65.2 -41.7 27.9 -24.9 -3.1 74 74 A F H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 37,-0.4 0.893 111.0 51.0 -63.1 -39.4 25.6 -21.9 -2.5 75 75 A Q H X S+ 0 0 58 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.883 106.9 54.4 -65.0 -41.3 22.7 -24.3 -1.8 76 76 A Y H X S+ 0 0 7 -4,-2.1 4,-3.3 2,-0.2 6,-0.3 0.917 104.7 52.8 -56.2 -43.8 24.9 -26.2 0.7 77 77 A V H X>S+ 0 0 2 -4,-1.8 4,-1.1 1,-0.2 5,-0.8 0.928 113.5 44.8 -62.0 -42.2 25.6 -23.0 2.6 78 78 A Q H ><5S+ 0 0 58 -4,-1.8 3,-0.5 2,-0.2 -2,-0.2 0.939 116.6 44.0 -60.5 -54.8 21.9 -22.4 2.9 79 79 A D H 3<5S+ 0 0 93 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.9 47.4 -59.5 -38.8 21.0 -25.9 3.8 80 80 A N H 3<5S- 0 0 52 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.646 102.6-127.6 -80.7 -18.8 23.8 -26.2 6.3 81 81 A G T <<5S+ 0 0 40 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.474 76.6 4.7 81.9 6.9 23.2 -22.9 8.1 82 82 A G < - 0 0 0 -5,-0.8 2,-0.3 -6,-0.3 26,-0.2 -0.980 61.0-122.9 171.1 179.6 26.8 -21.8 7.6 83 83 A L E -K 107 0D 1 24,-0.8 23,-2.3 -2,-0.3 24,-0.8 -0.941 31.8-118.3-153.4 131.1 30.4 -22.2 6.2 84 84 A D E -K 105 0D 3 -2,-0.3 -35,-2.5 21,-0.3 21,-0.2 -0.276 30.9-103.2 -72.0 151.2 33.6 -22.4 8.1 85 85 A S B > -J 48 0C 15 19,-1.5 4,-1.5 -37,-0.2 -37,-0.3 -0.348 26.8-116.8 -64.7 154.4 36.5 -20.0 7.7 86 86 A E T 4 S+ 0 0 33 -39,-2.8 -38,-0.2 1,-0.2 -1,-0.1 0.892 117.1 55.1 -56.1 -42.7 39.6 -21.1 5.7 87 87 A E T 4 S+ 0 0 180 -40,-0.5 -1,-0.2 1,-0.2 -39,-0.1 0.918 111.2 42.0 -60.6 -45.8 41.6 -20.7 9.0 88 88 A S T 4 S+ 0 0 44 1,-0.2 -1,-0.2 16,-0.2 -2,-0.2 0.751 128.4 29.3 -72.0 -23.1 39.3 -23.1 10.9 89 89 A Y S < S- 0 0 11 -4,-1.5 -38,-0.4 -3,-0.1 -37,-0.4 -0.643 87.1-159.6-144.0 72.4 39.1 -25.6 8.1 90 90 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.100 24.4 -95.5 -68.8 160.2 42.2 -25.5 5.9 91 91 A Y + 0 0 56 1,-0.1 -42,-0.0 -5,-0.1 -5,-0.0 -0.540 36.9 172.0 -81.8 128.9 42.6 -26.8 2.4 92 92 A E - 0 0 95 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.533 39.1-130.6-111.7 -14.8 44.0 -30.3 1.9 93 93 A A S S+ 0 0 33 1,-0.2 2,-0.3 -73,-0.1 -2,-0.1 0.757 79.7 81.3 63.5 27.7 43.5 -30.8 -1.9 94 94 A T S S- 0 0 65 -72,-0.1 2,-0.3 -30,-0.0 -2,-0.2 -0.985 87.6 -98.7-155.9 149.2 41.8 -34.1 -1.3 95 95 A E + 0 0 110 -2,-0.3 2,-0.3 -3,-0.1 -40,-0.1 -0.600 49.3 163.3 -75.0 130.8 38.3 -35.4 -0.4 96 96 A E - 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