==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-AUG-05 2ATO . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.WEIDAUER,Y.YASUDA,B.K.BISWAL,L.D.KERR,M.M.CHERNEY, . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 18.6 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 . 2 0.9 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 0 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 1 0 2 0 1 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 58 0, 0.0 122,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 144.1 46.0 76.3 45.4 2 2 A P - 0 0 71 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.153 360.0-116.9 -62.1 161.8 49.3 74.5 46.0 3 3 A D S S+ 0 0 131 1,-0.2 2,-0.3 168,-0.0 0, 0.0 0.755 97.5 23.8 -72.3 -25.0 49.7 70.9 44.8 4 4 A S + 0 0 68 166,-0.1 2,-0.3 2,-0.0 166,-0.2 -0.997 61.0 173.1-146.3 137.7 50.2 69.7 48.4 5 5 A V E +A 169 0A 11 164,-2.4 164,-2.3 -2,-0.3 2,-0.4 -0.995 3.4 179.5-143.5 137.1 49.3 71.0 51.9 6 6 A D E > -A 168 0A 16 -2,-0.3 3,-1.0 162,-0.2 4,-0.3 -0.881 10.1-168.7-141.6 105.7 49.7 69.3 55.3 7 7 A Y T 3 >S+ 0 0 9 160,-2.9 5,-2.3 -2,-0.4 6,-0.5 0.603 83.7 71.8 -72.3 -10.6 48.6 71.2 58.3 8 8 A R T > 5S+ 0 0 104 159,-0.3 3,-1.1 1,-0.2 -1,-0.3 0.860 95.8 54.3 -70.0 -32.4 50.2 68.8 60.7 9 9 A K T < 5S+ 0 0 170 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.641 107.7 51.1 -73.4 -15.8 53.5 70.3 59.5 10 10 A K T 3 5S- 0 0 120 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.255 116.0-111.3-105.3 9.2 52.2 73.7 60.5 11 11 A G T < 5S+ 0 0 26 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.767 81.4 123.6 68.3 27.5 51.2 72.8 64.0 12 12 A Y < + 0 0 40 -5,-2.3 2,-0.5 155,-0.1 27,-0.2 0.502 57.3 76.4 -93.9 -6.2 47.4 73.1 63.4 13 13 A V - 0 0 23 -6,-0.5 3,-0.1 -5,-0.2 -2,-0.1 -0.918 63.6-151.3-120.1 130.4 46.6 69.6 64.5 14 14 A T - 0 0 4 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.331 45.8 -72.3 -82.4 168.6 46.4 68.0 68.0 15 15 A P - 0 0 83 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.163 61.2 -84.2 -62.5 159.0 47.1 64.3 68.6 16 16 A V - 0 0 14 175,-0.2 170,-0.2 -3,-0.1 2,-0.2 -0.399 49.2-159.9 -65.4 134.6 44.8 61.6 67.5 17 17 A K - 0 0 51 165,-0.4 168,-2.4 168,-0.2 2,-0.4 -0.555 13.7-126.6-109.4 175.6 41.9 60.9 69.9 18 18 A N B -I 184 0B 89 166,-0.3 166,-0.2 -2,-0.2 3,-0.1 -0.960 7.7-164.6-129.8 114.0 39.6 58.0 70.4 19 19 A Q > - 0 0 14 164,-3.0 3,-0.8 -2,-0.4 5,-0.2 0.610 32.7-153.0 -70.8 -11.5 35.8 58.5 70.5 20 20 A G T 3 - 0 0 32 163,-0.3 -1,-0.2 1,-0.2 71,-0.1 -0.497 55.3 -33.3 74.4-143.0 35.4 55.1 72.0 21 21 A Q T 3 S+ 0 0 193 -2,-0.2 -1,-0.2 70,-0.2 2,-0.1 0.650 110.5 105.8 -87.6 -17.4 32.1 53.3 71.4 22 22 A a S < S- 0 0 7 -3,-0.8 2,-1.9 69,-0.2 3,-0.2 -0.375 76.6-128.4 -66.3 136.0 30.1 56.6 71.3 23 23 A G S S+ 0 0 28 40,-1.2 42,-0.4 1,-0.2 3,-0.3 -0.332 70.6 123.8 -82.7 57.5 29.0 57.7 67.8 24 24 A S >> + 0 0 0 -2,-1.9 4,-1.6 -5,-0.2 3,-1.5 0.095 19.2 120.8-104.6 19.9 30.5 61.2 68.5 25 25 A C H 3> S+ 0 0 14 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.855 72.8 61.1 -52.2 -36.5 32.8 61.4 65.5 26 26 A W H 3> S+ 0 0 4 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.839 103.7 50.8 -59.9 -32.5 30.9 64.5 64.4 27 27 A A H <> S+ 0 0 0 -3,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.883 111.7 45.1 -73.4 -39.6 32.1 66.1 67.7 28 28 A F H X S+ 0 0 25 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.863 112.8 52.0 -72.1 -34.0 35.7 65.1 67.2 29 29 A S H X S+ 0 0 3 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.928 112.5 45.5 -65.5 -45.2 35.5 66.3 63.6 30 30 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.921 112.6 49.2 -63.7 -48.5 34.1 69.7 64.7 31 31 A V H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.899 109.0 55.6 -59.2 -40.4 36.6 70.2 67.5 32 32 A G H X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.923 108.2 45.9 -58.9 -46.8 39.4 69.3 65.1 33 33 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.882 113.9 50.0 -65.0 -37.7 38.4 72.1 62.7 34 34 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.893 107.0 53.0 -68.2 -40.1 38.0 74.6 65.5 35 35 A E H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.856 108.5 52.9 -63.3 -33.4 41.5 73.7 67.0 36 36 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.915 111.1 44.0 -67.8 -43.9 42.9 74.4 63.6 37 37 A Q H X S+ 0 0 19 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.842 111.8 54.7 -69.6 -32.4 41.3 77.8 63.3 38 38 A L H X>S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 6,-0.7 0.897 109.6 46.2 -66.4 -42.3 42.3 78.6 66.9 39 39 A K H X5S+ 0 0 58 -4,-2.0 4,-1.8 4,-0.2 -2,-0.2 0.908 114.1 48.9 -66.0 -42.3 45.9 77.9 66.2 40 40 A K H <5S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.862 119.6 37.3 -65.6 -37.5 45.8 79.9 63.0 41 41 A K H <5S+ 0 0 124 -4,-2.2 -2,-0.2 3,-0.1 -1,-0.2 0.836 135.0 17.3 -85.9 -36.1 44.1 82.9 64.7 42 42 A T H <5S- 0 0 53 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.568 91.8-123.7-114.3 -12.7 45.9 82.9 68.1 43 43 A G S <> + 0 0 0 33,-2.7 4,-1.0 -2,-0.2 3,-0.6 -0.661 33.0 177.3 -88.9 100.8 36.1 69.5 74.4 50 50 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.837 86.2 61.9 -66.2 -28.0 34.1 67.0 72.2 51 51 A Q H 3> S+ 0 0 1 36,-0.4 4,-2.6 1,-0.2 5,-0.3 0.840 95.9 60.5 -63.6 -33.3 32.2 66.0 75.3 52 52 A N H <> S+ 0 0 0 -3,-0.6 4,-1.9 35,-0.4 -1,-0.2 0.910 109.3 42.6 -59.4 -43.2 31.0 69.6 75.5 53 53 A L H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.930 112.4 52.1 -69.7 -47.8 29.4 69.2 72.1 54 54 A V H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 8,-0.2 0.903 117.8 38.0 -56.1 -44.2 28.0 65.7 72.8 55 55 A D H < S+ 0 0 16 -4,-2.6 41,-0.4 -5,-0.2 -1,-0.2 0.811 125.8 32.7 -79.5 -32.5 26.2 66.9 76.0 56 56 A b H < S+ 0 0 16 -4,-1.9 2,-1.6 -5,-0.3 -3,-0.2 0.608 86.4 92.6-106.8 -12.5 25.1 70.4 74.9 57 57 A V >< + 0 0 4 -4,-2.3 3,-1.6 1,-0.2 5,-0.5 -0.650 45.4 175.8 -84.0 90.7 24.2 70.4 71.2 58 58 A S T 3 S+ 0 0 100 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.0 0.665 73.5 71.0 -69.0 -15.1 20.5 69.6 71.5 59 59 A E T 3 S+ 0 0 105 11,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.670 102.0 51.4 -72.8 -17.7 20.3 70.0 67.7 60 60 A N S < S- 0 0 18 -3,-1.6 6,-0.2 -7,-0.2 3,-0.1 -0.530 90.8-115.0-109.4 179.8 22.2 66.7 67.5 61 61 A D > - 0 0 109 4,-2.3 3,-3.1 1,-0.3 5,-0.1 -0.174 37.5-133.5-112.8 39.5 21.7 63.3 69.1 62 62 A G G > S- 0 0 2 -5,-0.5 3,-1.3 1,-0.3 -1,-0.3 -0.221 87.2 -0.8 50.8-123.1 24.7 62.9 71.3 63 63 A a G 3 S+ 0 0 39 1,-0.3 -40,-1.2 -3,-0.1 -1,-0.3 0.540 127.2 73.2 -74.3 -5.1 26.2 59.4 70.9 64 64 A G G < S- 0 0 57 -3,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.437 114.2 -87.2 -88.2 0.5 23.5 58.7 68.4 65 65 A G < - 0 0 23 -3,-1.3 -4,-2.3 -42,-0.4 -1,-0.3 -0.514 49.3-178.5 119.2 171.6 25.0 60.9 65.7 66 66 A G - 0 0 28 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.1 -0.970 27.6 -90.7 173.2 178.3 24.9 64.6 64.6 67 67 A Y > - 0 0 138 -2,-0.3 4,-1.1 1,-0.1 3,-0.2 -0.891 19.3-137.3-116.2 145.7 26.1 67.2 62.2 68 68 A M H > S+ 0 0 5 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.851 103.7 62.1 -68.0 -33.8 29.1 69.4 62.4 69 69 A T H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 103.6 48.8 -58.3 -41.8 27.1 72.5 61.2 70 70 A N H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.825 110.1 53.0 -66.3 -33.4 24.9 72.2 64.3 71 71 A A H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.915 109.8 46.7 -69.1 -43.5 28.1 71.9 66.5 72 72 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 37,-0.3 0.910 112.6 49.5 -65.8 -42.3 29.6 75.1 65.0 73 73 A Q H X S+ 0 0 62 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.875 109.2 53.5 -65.1 -35.9 26.3 77.0 65.4 74 74 A Y H X S+ 0 0 25 -4,-1.8 4,-3.1 2,-0.2 6,-0.2 0.946 108.4 48.7 -61.9 -49.8 26.1 75.8 69.0 75 75 A V H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.6 0.908 114.2 47.4 -56.4 -43.4 29.6 77.1 69.8 76 76 A Q H ><5S+ 0 0 73 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.960 117.8 39.5 -63.4 -52.6 28.7 80.4 68.2 77 77 A K H 3<5S+ 0 0 153 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.794 114.9 53.0 -69.1 -28.9 25.4 80.8 70.0 78 78 A N H 3<5S- 0 0 48 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.590 110.0-126.6 -80.4 -11.6 26.8 79.4 73.3 79 79 A R T <<5S- 0 0 158 -3,-0.7 2,-0.2 -4,-0.6 -3,-0.2 0.779 73.2 -0.3 70.0 29.5 29.6 82.0 73.0 80 80 A G < - 0 0 0 -5,-2.4 2,-0.3 -6,-0.2 26,-0.2 -0.743 61.7-117.2 145.7 166.0 32.3 79.4 73.3 81 81 A I E -K 105 0D 0 24,-1.6 23,-3.4 -2,-0.2 24,-1.2 -0.975 34.1-116.9-134.3 146.1 33.5 75.9 73.8 82 82 A D E -K 103 0D 0 -2,-0.3 -33,-2.7 21,-0.3 21,-0.2 -0.338 27.7-106.5 -81.0 165.9 35.5 74.5 76.7 83 83 A S B > -J 48 0C 23 19,-1.3 4,-1.5 -35,-0.3 3,-0.4 -0.478 34.8-107.8 -84.0 162.1 38.9 73.0 76.6 84 84 A E T 4 S+ 0 0 39 -37,-2.9 -36,-0.1 1,-0.2 -1,-0.1 0.858 120.5 55.1 -59.7 -35.3 39.3 69.2 76.9 85 85 A D T 4 S+ 0 0 150 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.846 109.0 45.9 -68.4 -33.3 40.7 69.7 80.4 86 86 A A T 4 S+ 0 0 48 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.734 129.2 25.4 -80.3 -23.0 37.7 71.8 81.6 87 87 A Y S < S- 0 0 13 -4,-1.5 -36,-0.4 15,-0.1 -35,-0.4 -0.649 88.1-154.8-143.5 78.9 35.2 69.3 80.1 88 88 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.154 21.4-109.9 -57.0 145.1 36.8 65.8 79.9 89 89 A Y + 0 0 46 1,-0.1 -40,-0.0 -5,-0.1 -5,-0.0 -0.627 37.0 171.4 -79.7 132.8 35.7 63.3 77.3 90 90 A V - 0 0 64 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.392 42.3-124.4-121.3 -1.9 33.8 60.3 78.9 91 91 A G S S+ 0 0 19 1,-0.1 2,-0.3 -71,-0.1 -69,-0.2 0.670 82.7 82.2 67.0 17.3 32.4 58.5 75.8 92 92 A Q S S- 0 0 135 -70,-0.1 -2,-0.2 -71,-0.1 2,-0.2 -0.990 85.8-101.9-149.2 146.9 28.8 58.7 77.0 93 93 A E + 0 0 113 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.1 -0.511 46.2 167.9 -74.2 137.2 26.2 61.3 76.9 94 94 A E - 0 0 107 -2,-0.2 3,-0.1 -43,-0.2 -32,-0.0 -0.886 44.1 -68.4-139.5 168.9 25.6 63.2 80.1 95 95 A S - 0 0 88 -2,-0.3 2,-0.3 1,-0.1 -39,-0.1 -0.226 67.8 -86.1 -58.3 151.0 23.8 66.4 81.2 96 96 A b + 0 0 59 -41,-0.4 -1,-0.1 1,-0.1 -44,-0.1 -0.438 48.6 171.6 -65.0 122.0 25.2 69.6 79.8 97 97 A M + 0 0 128 -2,-0.3 -1,-0.1 -3,-0.1 -45,-0.1 -0.176 13.6 163.0-122.6 37.4 28.0 70.9 82.1 98 98 A Y - 0 0 42 -46,-0.1 -11,-0.0 1,-0.1 -17,-0.0 -0.365 18.6-165.0 -60.3 135.3 29.3 73.7 80.0 99 99 A N > - 0 0 72 1,-0.1 3,-1.9 -2,-0.0 4,-0.1 -0.950 14.4-157.5-127.1 111.0 31.4 76.1 82.1 100 100 A P G > S+ 0 0 72 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.774 91.5 67.1 -58.7 -26.5 32.3 79.5 80.6 101 101 A T G 3 S+ 0 0 123 1,-0.3 -15,-0.0 -15,-0.1 0, 0.0 0.771 101.4 50.5 -65.8 -20.9 35.3 79.9 82.8 102 102 A G G < S+ 0 0 15 -3,-1.9 -19,-1.3 -16,-0.1 -1,-0.3 0.346 80.9 141.3 -96.3 5.6 36.8 77.0 80.9 103 103 A K E < +K 82 0D 75 -3,-1.7 -21,-0.3 -21,-0.2 3,-0.1 -0.210 18.3 167.4 -49.5 127.9 36.0 78.7 77.5 104 104 A A E + 0 0 23 -23,-3.4 2,-0.3 1,-0.3 -22,-0.2 0.536 57.4 15.4-123.5 -14.1 38.9 78.1 75.1 105 105 A A E -K 81 0D 7 -24,-1.2 -24,-1.6 -30,-0.0 -1,-0.3 -0.992 57.4-148.1-158.6 158.5 37.6 79.1 71.6 106 106 A K - 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