==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-08 3C9E . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KIENETZ,M.M.CHERNEY,M.N.G.JAMES,D.BROMME . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10080.0 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 . 41 19.1 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 . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.2 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 . 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 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 0 1 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 80 0, 0.0 122,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 144.5 5.8 46.8 59.7 2 2 A P - 0 0 78 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.107 360.0-113.4 -58.1 162.4 7.2 43.4 58.5 3 3 A D S S+ 0 0 136 1,-0.2 2,-0.3 168,-0.0 0, 0.0 0.681 98.9 6.3 -72.4 -16.2 10.9 42.7 58.8 4 4 A S - 0 0 72 166,-0.1 2,-0.3 122,-0.0 166,-0.2 -0.975 60.8-178.3-163.7 150.8 11.0 42.7 55.1 5 5 A V E -A 169 0A 23 164,-2.4 164,-2.3 -2,-0.3 2,-0.4 -0.970 5.4-171.5-153.8 138.8 8.9 43.4 52.0 6 6 A D E > -A 168 0A 24 -2,-0.3 3,-2.2 162,-0.2 4,-0.2 -0.866 6.4-166.0-136.3 98.2 9.7 43.1 48.3 7 7 A Y G > >S+ 0 0 6 160,-2.4 5,-2.1 -2,-0.4 3,-1.2 0.643 84.8 73.5 -61.8 -14.3 6.9 44.5 46.1 8 8 A R G > 5S+ 0 0 95 159,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.817 92.9 56.9 -67.6 -26.3 8.5 42.9 43.1 9 9 A K G < 5S+ 0 0 176 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.554 106.8 48.5 -79.4 -8.1 7.1 39.7 44.6 10 10 A K G < 5S- 0 0 108 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.333 116.2-113.1-110.3 2.2 3.6 41.3 44.5 11 11 A G T < 5S+ 0 0 27 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.810 79.4 126.0 70.5 31.5 3.9 42.4 40.9 12 12 A Y < + 0 0 32 -5,-2.1 2,-0.5 155,-0.1 27,-0.2 0.449 55.8 77.5 -95.4 -5.5 3.9 46.2 41.8 13 13 A V - 0 0 19 -6,-0.4 3,-0.1 -5,-0.1 32,-0.1 -0.930 67.1-149.0-117.2 127.9 7.1 46.8 39.8 14 14 A T - 0 0 4 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.272 44.4 -68.0 -81.4 171.5 7.5 47.1 36.1 15 15 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.165 61.7 -90.8 -59.1 155.1 10.6 46.1 34.2 16 16 A V - 0 0 15 175,-0.2 170,-0.3 -3,-0.1 2,-0.2 -0.492 47.1-154.4 -68.8 133.3 13.8 48.1 34.7 17 17 A K - 0 0 51 165,-0.4 168,-2.4 -2,-0.2 2,-0.5 -0.546 11.5-129.0-104.7 171.3 14.1 51.0 32.2 18 18 A N B -I 184 0B 99 166,-0.3 166,-0.2 -2,-0.2 165,-0.0 -0.965 11.8-167.2-124.7 114.1 17.1 52.9 30.7 19 19 A Q > - 0 0 13 164,-2.9 3,-0.6 -2,-0.5 165,-0.1 0.703 26.6-154.7 -74.1 -19.6 16.9 56.7 31.0 20 20 A G T 3 - 0 0 45 163,-0.3 -1,-0.2 1,-0.2 4,-0.1 -0.373 53.1 -38.1 76.4-160.3 19.8 57.3 28.6 21 21 A Q T 3 S+ 0 0 211 70,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.717 107.6 107.8 -74.5 -20.3 21.8 60.5 28.8 22 22 A a S < S- 0 0 8 -3,-0.6 2,-2.0 69,-0.2 3,-0.1 -0.312 78.4-125.5 -58.5 134.9 18.8 62.6 29.5 23 23 A G + 0 0 25 40,-1.5 42,-0.4 1,-0.2 3,-0.3 -0.389 69.5 126.5 -82.7 62.6 18.7 63.8 33.2 24 24 A S >> + 0 0 0 -2,-2.0 4,-1.8 1,-0.2 3,-1.1 0.059 17.3 122.2-107.2 22.6 15.2 62.3 33.7 25 25 A C H 3> S+ 0 0 19 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.894 75.4 57.9 -52.0 -39.9 15.9 60.2 36.8 26 26 A W H 3> S+ 0 0 0 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.845 104.4 51.3 -58.9 -35.8 13.2 62.2 38.6 27 27 A A H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.899 111.5 45.3 -70.9 -41.0 10.7 61.2 35.9 28 28 A F H X S+ 0 0 24 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.907 113.0 51.2 -69.3 -38.7 11.4 57.4 36.2 29 29 A S H X S+ 0 0 2 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.930 113.3 45.1 -62.2 -45.3 11.4 57.6 40.0 30 30 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.918 113.0 49.4 -65.1 -46.0 8.0 59.3 39.9 31 31 A V H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.907 108.6 55.2 -60.2 -40.5 6.5 57.0 37.3 32 32 A G H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.906 108.4 46.5 -59.4 -43.9 7.8 54.0 39.4 33 33 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.889 114.1 48.7 -66.5 -39.0 5.9 55.2 42.5 34 34 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.879 107.6 54.3 -67.9 -39.4 2.8 55.8 40.5 35 35 A E H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 11,-0.2 0.886 107.8 51.8 -62.0 -38.3 2.9 52.4 38.8 36 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.928 112.3 43.7 -64.3 -46.2 3.1 50.8 42.2 37 37 A Q H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.880 110.4 56.6 -67.2 -36.5 0.0 52.7 43.5 38 38 A L H X>S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 5,-0.5 0.925 108.6 46.7 -60.6 -44.3 -1.8 52.0 40.2 39 39 A K H X5S+ 0 0 56 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.917 112.4 50.7 -62.2 -44.3 -1.3 48.2 40.7 40 40 A K H <5S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.861 118.6 36.8 -63.0 -37.4 -2.4 48.4 44.3 41 41 A K H <5S+ 0 0 108 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.747 133.2 22.3 -89.3 -25.5 -5.6 50.3 43.4 42 42 A T H <5S- 0 0 74 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.651 91.6-125.4-114.3 -23.0 -6.6 48.6 40.1 43 43 A G S < + 0 0 0 33,-2.4 4,-1.1 -2,-0.2 3,-0.4 -0.704 31.1 178.8 -95.0 107.0 5.2 57.5 30.7 50 50 A P H > S+ 0 0 4 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.833 88.1 61.6 -67.9 -26.6 8.3 59.3 32.0 51 51 A Q H > S+ 0 0 0 36,-0.4 4,-2.9 1,-0.2 5,-0.3 0.863 96.3 58.5 -65.3 -36.1 8.3 61.3 28.7 52 52 A N H > S+ 0 0 0 -3,-0.4 4,-1.7 35,-0.4 -1,-0.2 0.912 112.1 41.8 -57.9 -41.8 4.9 62.7 29.5 53 53 A L H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.934 112.0 53.2 -71.8 -47.3 6.5 64.1 32.7 54 54 A V H < S+ 0 0 6 -4,-3.0 8,-0.2 1,-0.2 -2,-0.2 0.919 118.0 36.7 -53.5 -46.9 9.7 65.2 31.0 55 55 A D H < S+ 0 0 21 -4,-2.9 41,-0.3 1,-0.1 -1,-0.2 0.761 127.4 32.5 -79.7 -27.4 7.8 67.2 28.3 56 56 A b H < S+ 0 0 12 -4,-1.7 2,-1.8 -5,-0.3 -3,-0.2 0.620 83.7 94.2-110.9 -15.2 5.0 68.5 30.5 57 57 A V >< + 0 0 5 -4,-2.6 3,-1.6 1,-0.2 5,-0.4 -0.628 49.0 179.9 -81.1 89.6 6.1 69.2 34.1 58 58 A S T 3 S+ 0 0 121 -2,-1.8 -1,-0.2 1,-0.3 -4,-0.0 0.706 74.8 66.1 -63.9 -21.6 6.9 72.8 33.5 59 59 A E T 3 S+ 0 0 119 11,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.687 102.7 56.8 -74.2 -17.3 8.0 73.2 37.2 60 60 A N S < S- 0 0 17 -3,-1.6 6,-0.2 -7,-0.2 -6,-0.0 -0.404 88.9-119.4-101.3-175.6 10.9 70.8 36.4 61 61 A D > - 0 0 105 4,-2.6 3,-2.9 1,-0.3 5,-0.1 -0.096 34.3-134.3-121.2 36.6 13.6 71.2 33.7 62 62 A G G > S- 0 0 3 -5,-0.4 3,-1.3 1,-0.3 -1,-0.3 -0.255 86.9 -0.6 53.7-122.3 13.1 68.1 31.5 63 63 A a G 3 S+ 0 0 31 1,-0.3 -40,-1.5 -39,-0.1 -1,-0.3 0.490 127.4 72.4 -76.8 -1.9 16.5 66.5 30.7 64 64 A G G < S- 0 0 53 -3,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.446 114.4 -92.8 -90.3 -1.7 18.1 69.2 32.8 65 65 A G < + 0 0 23 -3,-1.3 -4,-2.6 -42,-0.4 -1,-0.3 -0.411 48.4 178.9 115.2 168.4 16.7 67.7 36.0 66 66 A G - 0 0 24 -6,-0.2 2,-0.3 -2,-0.1 -40,-0.1 -0.981 26.9 -86.2 178.0-172.4 13.7 68.0 38.3 67 67 A Y > - 0 0 133 -2,-0.3 4,-1.3 1,-0.1 -8,-0.1 -0.904 18.0-136.6-123.5 151.7 11.9 66.8 41.4 68 68 A M H > S+ 0 0 7 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.884 105.7 57.0 -72.6 -39.5 9.4 64.0 42.1 69 69 A T H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 106.3 51.1 -57.6 -42.1 7.1 66.1 44.2 70 70 A N H > S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 108.9 52.2 -60.7 -39.1 6.8 68.5 41.2 71 71 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.931 109.3 48.0 -63.7 -46.7 5.9 65.5 39.0 72 72 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.883 109.6 53.4 -62.8 -37.7 3.2 64.3 41.3 73 73 A Q H X S+ 0 0 63 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.867 108.4 51.1 -65.1 -35.4 1.7 67.9 41.6 74 74 A Y H X S+ 0 0 30 -4,-1.7 4,-3.4 2,-0.2 5,-0.3 0.951 108.5 49.4 -65.0 -51.4 1.6 68.0 37.7 75 75 A V H X>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-0.8 0.897 113.1 48.7 -56.4 -40.8 -0.2 64.7 37.4 76 76 A Q H ><5S+ 0 0 85 -4,-2.1 3,-0.7 2,-0.2 -1,-0.2 0.960 116.3 40.8 -64.0 -51.1 -2.8 65.9 40.0 77 77 A K H 3<5S+ 0 0 188 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 115.8 50.8 -65.9 -35.6 -3.3 69.3 38.3 78 78 A N H 3<5S- 0 0 43 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.594 107.2-128.1 -77.9 -11.8 -3.3 67.7 34.9 79 79 A R T <<5S+ 0 0 168 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.2 0.791 73.9 5.6 67.3 30.1 -5.9 65.1 36.0 80 80 A G < - 0 0 0 -5,-2.0 2,-0.3 -6,-0.2 26,-0.2 -0.796 60.6-121.6 150.0 167.3 -3.8 62.2 34.7 81 81 A I E -K 105 0D 0 24,-1.6 23,-3.0 -2,-0.2 24,-1.2 -0.990 33.5-117.7-140.4 139.7 -0.6 60.8 33.2 82 82 A D E -K 103 0D 0 -2,-0.3 -33,-2.4 21,-0.3 21,-0.2 -0.339 28.3-107.9 -76.3 160.7 -0.4 58.7 30.0 83 83 A S B > -J 48 0C 24 19,-1.6 4,-0.7 -35,-0.3 3,-0.4 -0.432 34.8-106.9 -79.9 163.0 0.8 55.2 29.7 84 84 A E T >4 S+ 0 0 38 -37,-2.4 3,-1.0 1,-0.2 -36,-0.1 0.890 121.1 54.6 -57.9 -41.7 4.2 54.5 28.2 85 85 A D T 34 S+ 0 0 145 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.824 108.3 49.0 -63.8 -30.1 2.6 53.2 25.0 86 86 A A T 34 S+ 0 0 48 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.550 128.2 21.7 -86.4 -7.2 0.5 56.3 24.6 87 87 A Y S << S- 0 0 8 -3,-1.0 -36,-0.4 -4,-0.7 -35,-0.4 -0.478 88.1-149.9-160.3 75.7 3.5 58.6 25.1 88 88 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.104 17.2-114.3 -55.2 142.9 6.8 56.8 24.3 89 89 A Y + 0 0 43 1,-0.1 -5,-0.0 2,-0.1 -40,-0.0 -0.637 37.7 165.8 -80.7 128.8 10.1 57.7 26.0 90 90 A V - 0 0 68 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.426 47.9-120.0-121.5 -5.3 12.8 59.1 23.6 91 91 A G S S+ 0 0 25 1,-0.2 2,-0.3 -71,-0.1 -69,-0.2 0.776 81.5 85.3 72.4 25.2 15.3 60.6 26.0 92 92 A Q S S- 0 0 125 -70,-0.1 -2,-0.3 -71,-0.1 -1,-0.2 -0.985 82.7 -95.8-153.9 151.9 15.0 64.2 24.8 93 93 A E + 0 0 110 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.1 -0.464 45.4 164.7 -73.8 139.9 12.8 67.1 25.5 94 94 A E - 0 0 65 -43,-0.2 3,-0.1 -2,-0.2 -32,-0.0 -0.867 46.0 -72.9-142.4 172.8 9.9 67.8 23.2 95 95 A S - 0 0 100 -2,-0.3 2,-0.3 1,-0.1 -39,-0.1 -0.343 65.7 -87.3 -66.9 155.1 6.8 70.0 23.3 96 96 A b + 0 0 69 -41,-0.3 -1,-0.1 1,-0.1 -44,-0.1 -0.509 50.0 171.4 -67.7 123.5 4.1 68.7 25.7 97 97 A M + 0 0 103 -2,-0.3 -1,-0.1 -3,-0.1 -45,-0.1 -0.009 12.6 162.1-123.2 28.6 1.9 66.2 23.7 98 98 A Y - 0 0 41 -46,-0.1 -11,-0.1 1,-0.1 3,-0.1 -0.223 19.6-164.4 -51.6 132.7 -0.2 64.8 26.6 99 99 A N > - 0 0 77 1,-0.1 3,-2.2 -13,-0.1 4,-0.1 -0.956 15.3-154.2-125.8 111.9 -3.4 63.1 25.3 100 100 A P G > S+ 0 0 76 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.754 92.7 71.6 -55.4 -24.1 -6.1 62.4 27.9 101 101 A T G 3 S+ 0 0 127 1,-0.3 -3,-0.0 -3,-0.1 -15,-0.0 0.821 99.8 47.3 -61.6 -28.9 -7.3 59.5 25.7 102 102 A G G < S+ 0 0 18 -3,-2.2 -19,-1.6 -16,-0.1 -1,-0.3 0.267 80.6 141.1 -96.3 11.8 -4.2 57.7 26.8 103 103 A K E < +K 82 0D 69 -3,-1.8 -21,-0.3 -21,-0.2 3,-0.1 -0.311 17.3 167.1 -56.5 128.6 -4.6 58.4 30.5 104 104 A A E + 0 0 23 -23,-3.0 2,-0.3 1,-0.3 -22,-0.2 0.473 59.6 18.4-122.7 -8.9 -3.6 55.4 32.6 105 105 A A E -K 81 0D 6 -24,-1.2 -24,-1.6 -30,-0.0 -1,-0.3 -0.992 55.9-152.7-160.5 156.5 -3.4 56.9 36.1 106 106 A K - 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