==== 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 2XU3 . COMPND 2 MOLECULE: CATHEPSIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,J.M.BENZ,W.HAAP . 220 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 57.7 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 18.2 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 0.5 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 . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 0 0 1 1 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 0 111 0, 0.0 123,-0.0 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 158.6 7.9 -21.7 5.1 2 2 A P - 0 0 67 0, 0.0 3,-0.1 0, 0.0 125,-0.0 -0.291 360.0-127.6 -61.3 153.5 5.2 -20.2 2.9 3 3 A R S S+ 0 0 193 1,-0.2 2,-0.3 169,-0.0 0, 0.0 0.768 94.8 21.9 -73.1 -27.5 6.1 -19.4 -0.7 4 4 A S - 0 0 62 167,-0.1 2,-0.3 123,-0.0 167,-0.2 -0.987 66.8-168.1-139.2 147.9 4.7 -15.9 -0.1 5 5 A V E +A 170 0A 19 165,-2.4 165,-1.6 -2,-0.3 2,-0.3 -0.996 9.8 171.2-133.7 140.0 4.0 -13.7 2.9 6 6 A D E > -A 169 0A 42 -2,-0.3 3,-1.9 163,-0.2 163,-0.2 -0.791 13.8-167.4-148.1 100.7 2.0 -10.5 3.2 7 7 A W G > >S+ 0 0 11 161,-2.8 5,-1.8 1,-0.3 3,-1.4 0.671 83.8 74.8 -66.2 -16.3 1.4 -9.2 6.7 8 8 A R G > 5S+ 0 0 104 160,-0.3 3,-1.2 1,-0.2 -1,-0.3 0.833 87.1 64.0 -57.9 -33.1 -1.1 -6.8 5.4 9 9 A E G < 5S+ 0 0 157 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.615 104.0 46.1 -67.6 -15.8 -3.4 -9.8 5.0 10 10 A K G < 5S- 0 0 137 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.333 119.2-105.0-108.5 5.0 -3.4 -10.3 8.8 11 11 A G T < 5S+ 0 0 30 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.674 82.9 123.5 87.4 17.4 -4.0 -6.6 9.8 12 12 A Y < + 0 0 32 -5,-1.8 2,-0.4 156,-0.1 27,-0.2 0.509 56.6 71.9 -85.5 -8.3 -0.5 -5.8 10.9 13 13 A V - 0 0 21 -6,-0.3 3,-0.1 -5,-0.2 -2,-0.1 -0.945 64.4-145.1-128.9 126.7 0.2 -2.8 8.6 14 14 A T - 0 0 8 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.354 45.5 -80.9 -74.4 163.4 -1.1 0.8 8.6 15 15 A P - 0 0 101 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.161 64.0 -74.3 -57.8 162.5 -1.7 2.5 5.2 16 16 A V - 0 0 20 180,-0.2 175,-0.2 -3,-0.1 2,-0.2 -0.364 52.9-158.2 -61.0 135.6 1.3 4.0 3.4 17 17 A K - 0 0 29 170,-0.4 173,-2.1 173,-0.1 2,-0.4 -0.577 9.9-131.0-108.8 171.9 2.5 7.3 5.0 18 18 A N B -I 189 0B 77 171,-0.2 171,-0.2 -2,-0.2 170,-0.0 -0.956 6.6-163.1-135.1 113.6 4.6 10.1 3.5 19 19 A Q - 0 0 16 169,-3.1 3,-0.3 -2,-0.4 5,-0.1 0.647 31.5-169.3 -68.1 -15.6 7.6 11.5 5.2 20 20 A G - 0 0 40 168,-0.3 2,-1.0 1,-0.2 -1,-0.2 -0.250 57.9 -14.0 60.7-146.2 7.5 14.7 3.1 21 21 A Q S S+ 0 0 187 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.357 113.8 91.6 -93.2 49.7 10.4 17.1 3.2 22 22 A a S S- 0 0 8 -2,-1.0 2,-1.8 -3,-0.3 44,-0.1 -0.984 78.7-125.1-138.1 142.0 12.0 15.6 6.3 23 23 A G B +j 66 0C 28 42,-1.9 44,-0.5 -2,-0.3 3,-0.3 -0.398 68.2 126.0 -83.7 61.8 14.7 12.9 6.4 24 24 A S >> + 0 0 0 -2,-1.8 4,-1.8 1,-0.2 3,-1.3 0.069 17.0 123.2-110.7 19.4 12.6 10.8 8.7 25 25 A C H 3> S+ 0 0 18 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.882 75.1 57.5 -48.3 -43.9 12.6 7.5 6.8 26 26 A W H 3> S+ 0 0 1 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.814 104.3 51.7 -56.3 -38.2 14.1 5.8 9.9 27 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.889 110.1 47.6 -70.0 -42.0 11.2 6.9 12.0 28 28 A F H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.892 111.8 50.8 -65.3 -40.4 8.6 5.5 9.6 29 29 A S H X S+ 0 0 3 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.944 113.1 46.2 -59.4 -46.2 10.5 2.2 9.4 30 30 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 112.3 48.1 -65.4 -46.5 10.5 2.1 13.2 31 31 A T H X S+ 0 0 2 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.900 110.2 54.2 -63.5 -34.4 6.9 2.9 13.7 32 32 A G H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.941 111.1 44.7 -63.5 -43.2 5.9 0.4 11.0 33 33 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.921 115.8 46.3 -66.3 -41.0 7.8 -2.4 12.8 34 34 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.876 108.0 56.8 -72.3 -34.8 6.4 -1.3 16.2 35 35 A E H X S+ 0 0 2 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.913 110.0 47.3 -56.6 -43.8 2.8 -1.1 14.8 36 36 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.931 113.7 44.6 -66.8 -43.9 3.2 -4.7 13.7 37 37 A Q H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.871 112.0 52.1 -72.4 -33.9 4.6 -6.0 17.0 38 38 A M H X S+ 0 0 23 -4,-2.8 4,-3.0 2,-0.2 6,-0.4 0.914 110.9 49.0 -63.4 -40.4 2.0 -4.1 19.0 39 39 A F H X S+ 0 0 37 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.912 107.5 54.4 -63.5 -41.6 -0.7 -5.7 16.8 40 40 A R H < S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.2 40.5 -54.5 -42.3 0.9 -9.1 17.3 41 41 A K H < S+ 0 0 125 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.959 133.1 15.6 -70.2 -53.0 0.6 -8.5 21.1 42 42 A T H < S- 0 0 68 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.555 86.9-123.7-107.9 -17.1 -2.8 -6.8 21.4 43 43 A G S < S+ 0 0 48 -4,-2.6 2,-0.5 -5,-0.4 -4,-0.2 0.567 76.9 115.1 74.2 12.1 -4.8 -7.4 18.2 44 44 A R - 0 0 183 -6,-0.4 2,-0.7 -9,-0.1 -2,-0.2 -0.963 56.6-150.6-118.5 125.5 -5.2 -3.6 17.8 45 45 A L + 0 0 68 -2,-0.5 2,-0.4 -3,-0.1 -9,-0.1 -0.849 24.2 171.7 -94.5 113.9 -3.6 -1.7 15.0 46 46 A I - 0 0 70 -2,-0.7 2,-0.2 -11,-0.2 -8,-0.1 -0.989 32.8-123.9-128.7 122.4 -2.8 1.9 16.1 47 47 A S - 0 0 38 -2,-0.4 39,-2.7 1,-0.1 40,-0.5 -0.467 31.5-142.9 -66.6 133.5 -0.8 4.3 14.0 48 48 A L B -K 85 0D 2 37,-0.3 2,-0.9 -2,-0.2 37,-0.2 -0.587 17.7 -98.1-104.7 159.8 2.2 5.6 15.9 49 49 A S > + 0 0 0 35,-2.4 4,-1.1 -2,-0.2 35,-0.1 -0.625 28.7 177.8 -86.4 106.6 3.9 9.0 16.0 50 50 A E H > S+ 0 0 0 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.847 86.5 62.6 -64.6 -34.5 6.9 9.5 13.8 51 51 A Q H > S+ 0 0 0 38,-0.4 4,-2.8 1,-0.2 5,-0.2 0.896 97.8 55.5 -60.4 -40.2 7.0 13.1 15.0 52 52 A N H > S+ 0 0 0 37,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.914 111.0 45.2 -57.2 -42.3 7.6 11.9 18.6 53 53 A L H X S+ 0 0 2 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.929 113.2 49.2 -67.4 -45.3 10.6 10.0 17.3 54 54 A V H < S+ 0 0 2 -4,-2.7 10,-0.2 1,-0.2 -2,-0.2 0.909 118.6 38.7 -58.9 -45.6 11.9 12.9 15.2 55 55 A D H < S+ 0 0 14 -4,-2.8 43,-0.3 -5,-0.2 -1,-0.2 0.694 126.5 30.3 -78.6 -23.5 11.6 15.4 18.0 56 56 A b H < S+ 0 0 11 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.594 94.6 76.3-120.8 -15.7 12.7 13.2 21.0 57 57 A S <> + 0 0 0 -4,-1.8 5,-1.9 1,-0.2 3,-0.4 0.173 57.3 109.9 -98.3 24.5 15.2 10.5 20.1 58 58 A G T > 5S+ 0 0 40 1,-0.2 3,-1.9 3,-0.2 -1,-0.2 0.908 73.7 57.9 -59.0 -42.9 18.3 12.7 19.8 59 59 A P T 3 5S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.854 102.5 55.2 -62.9 -27.4 19.9 11.3 23.0 60 60 A Q T 3 5S- 0 0 36 -3,-0.4 -2,-0.2 -4,-0.1 15,-0.1 0.573 132.5 -90.6 -77.6 -9.4 19.8 7.8 21.5 61 61 A G T < 5S+ 0 0 35 -3,-1.9 -3,-0.2 -4,-0.4 2,-0.1 0.346 80.9 135.2 118.2 -3.7 21.7 9.0 18.5 62 62 A N < - 0 0 7 -5,-1.9 -1,-0.3 10,-0.1 6,-0.2 -0.385 41.5-153.2 -78.0 158.8 19.1 10.2 16.0 63 63 A E > - 0 0 134 4,-2.6 3,-2.5 1,-0.3 5,-0.1 -0.176 27.3-131.1-129.7 41.3 19.3 13.4 14.1 64 64 A G T > S+ 0 0 2 1,-0.3 3,-1.1 -11,-0.2 -1,-0.3 -0.206 83.5 0.7 65.0-127.7 15.8 14.4 13.3 65 65 A a T 3 S+ 0 0 25 1,-0.2 -42,-1.9 -11,-0.1 -1,-0.3 0.426 128.5 65.6 -80.3 2.2 15.1 15.4 9.8 66 66 A N B < S-j 23 0C 145 -3,-2.5 -1,-0.2 1,-0.4 -2,-0.2 0.316 115.8 -76.7-106.4 7.0 18.8 14.7 8.9 67 67 A G < - 0 0 21 -3,-1.1 -4,-2.6 -44,-0.5 -1,-0.4 -0.530 47.5-175.9 127.3 175.0 18.6 10.9 9.5 68 68 A G - 0 0 31 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.1 -0.969 27.9 -94.8 176.2 177.9 18.6 8.2 12.2 69 69 A L > - 0 0 89 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.968 19.0-136.2-120.5 139.7 18.6 4.5 12.9 70 70 A M H > S+ 0 0 16 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.908 108.0 55.3 -58.7 -40.4 15.6 2.3 13.6 71 71 A D H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 105.1 52.4 -65.0 -34.9 17.5 0.7 16.5 72 72 A Y H > S+ 0 0 96 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.879 109.2 50.9 -64.5 -38.1 18.0 4.1 18.1 73 73 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.929 109.7 48.7 -63.3 -44.1 14.3 4.7 17.7 74 74 A F H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.892 110.9 51.6 -61.5 -40.7 13.5 1.3 19.4 75 75 A Q H X S+ 0 0 64 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.901 107.6 53.3 -62.3 -40.6 16.0 2.2 22.2 76 76 A Y H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 6,-0.3 0.936 106.7 50.2 -59.6 -48.6 14.2 5.6 22.7 77 77 A V H X>S+ 0 0 2 -4,-2.2 5,-1.2 1,-0.2 4,-1.1 0.925 114.5 46.2 -59.0 -41.1 10.8 3.9 23.1 78 78 A Q H ><5S+ 0 0 76 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.956 116.0 43.5 -62.4 -52.3 12.3 1.6 25.7 79 79 A D H 3<5S+ 0 0 95 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 117.3 47.2 -60.9 -39.1 14.2 4.4 27.6 80 80 A N H 3<5S- 0 0 52 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.642 103.1-129.8 -80.1 -18.6 11.2 6.7 27.4 81 81 A G T <<5S+ 0 0 58 -4,-1.1 2,-0.3 -3,-0.6 -3,-0.2 0.666 74.9 13.2 74.0 18.2 8.7 4.1 28.5 82 82 A G < - 0 0 0 -5,-1.2 2,-0.3 -6,-0.3 26,-0.2 -0.947 59.8-128.5 165.7 173.7 6.3 4.8 25.7 83 83 A L E -L 107 0E 1 24,-1.0 23,-2.5 -2,-0.3 24,-0.9 -0.963 30.9-120.8-151.0 132.1 5.5 6.3 22.3 84 84 A D E -L 105 0E 2 -2,-0.3 -35,-2.4 21,-0.3 21,-0.2 -0.295 31.3-101.9 -73.5 155.1 2.5 8.6 21.5 85 85 A S B > -K 48 0D 11 19,-1.4 4,-1.6 -37,-0.2 -37,-0.3 -0.411 26.1-116.1 -67.8 154.5 -0.1 7.8 18.9 86 86 A E T 4 S+ 0 0 37 -39,-2.7 -38,-0.2 1,-0.2 5,-0.1 0.847 117.5 57.1 -52.9 -40.5 -0.1 9.4 15.5 87 87 A E T 4 S+ 0 0 180 -40,-0.5 -1,-0.2 1,-0.2 -39,-0.1 0.892 111.0 39.5 -60.8 -47.5 -3.4 11.0 16.5 88 88 A S T 4 S+ 0 0 43 1,-0.2 -1,-0.2 16,-0.2 -2,-0.2 0.702 127.9 30.4 -79.2 -22.1 -2.1 12.7 19.6 89 89 A Y S < S- 0 0 10 -4,-1.6 -38,-0.4 15,-0.1 -37,-0.4 -0.700 88.5-158.8-141.1 75.1 1.3 13.8 18.2 90 90 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.110 24.0 -94.4 -71.0 160.0 0.7 14.4 14.5 91 91 A Y + 0 0 57 1,-0.1 -42,-0.0 -5,-0.1 -5,-0.0 -0.583 40.4 167.9 -80.1 130.4 3.4 14.5 11.8 92 92 A E - 0 0 93 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.470 39.8-131.9-115.3 -15.1 4.8 17.9 10.9 93 93 A A S S+ 0 0 28 1,-0.1 2,-0.3 -73,-0.1 -2,-0.1 0.784 78.1 88.6 60.9 30.7 7.9 17.0 8.7 94 94 A T S S- 0 0 63 -72,-0.1 2,-0.4 -71,-0.0 -2,-0.2 -0.971 83.4-107.8-153.4 146.9 10.2 19.3 10.7 95 95 A E + 0 0 101 -2,-0.3 2,-0.2 -32,-0.1 -40,-0.1 -0.625 48.0 163.1 -83.3 125.9 12.3 18.8 13.9 96 96 A E - 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