==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAY-98 1BGO . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.DESJARLAIS,D.S.YAMASHITA,H.-J.OH,W.E.BONDINELL, . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 60.9 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 . 39 18.1 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 . 1 0.5 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 . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.3 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 1 0 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 55 0, 0.0 122,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 147.0 29.4 15.9 20.3 2 2 A P - 0 0 70 0, 0.0 3,-0.2 0, 0.0 124,-0.1 -0.242 360.0-118.4 -60.3 158.6 27.7 12.5 20.6 3 3 A D S S+ 0 0 143 1,-0.3 2,-0.3 168,-0.0 0, 0.0 0.708 96.8 7.4 -67.1 -28.1 30.0 9.4 20.7 4 4 A S - 0 0 77 166,-0.1 2,-0.3 122,-0.0 -1,-0.3 -0.920 65.7-174.6-158.6 141.8 28.4 8.2 17.6 5 5 A V E -A 169 0A 18 164,-1.9 164,-1.7 -2,-0.3 2,-0.3 -0.963 5.3-178.4-138.4 146.5 25.9 9.5 15.1 6 6 A D E > -A 168 0A 24 -2,-0.3 3,-0.6 162,-0.2 4,-0.5 -0.807 8.5-169.2-150.2 95.6 24.2 7.9 12.1 7 7 A Y T 3 >S+ 0 0 12 160,-2.0 5,-2.9 -2,-0.3 6,-0.8 0.469 82.1 72.9 -68.9 2.3 21.8 10.2 10.1 8 8 A R T > 5S+ 0 0 87 3,-0.2 3,-1.6 159,-0.2 -1,-0.2 0.923 97.9 45.3 -80.4 -46.6 20.5 7.1 8.2 9 9 A K T < 5S+ 0 0 182 -3,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.612 111.5 57.6 -70.5 -9.2 18.6 5.9 11.2 10 10 A K T 3 5S- 0 0 108 -4,-0.5 -1,-0.3 0, 0.0 -2,-0.2 0.381 116.1-112.7-102.2 4.7 17.4 9.5 11.5 11 11 A G T < 5S+ 0 0 27 -3,-1.6 -3,-0.2 2,-0.1 -2,-0.1 0.826 82.9 118.6 69.6 35.2 15.9 9.8 8.1 12 12 A Y < + 0 0 37 -5,-2.9 2,-0.3 155,-0.1 -4,-0.2 0.723 56.4 74.3 -99.8 -23.3 18.4 12.3 6.7 13 13 A V - 0 0 20 -6,-0.8 3,-0.1 -5,-0.1 -2,-0.1 -0.690 65.5-150.0 -99.5 133.5 19.9 10.1 3.9 14 14 A T - 0 0 3 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.424 48.2 -63.6 -88.8 171.5 18.2 9.3 0.5 15 15 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.054 60.5 -92.9 -53.0 160.6 18.9 6.0 -1.3 16 16 A V - 0 0 19 175,-0.1 170,-0.4 -3,-0.1 2,-0.2 -0.594 49.7-160.7 -74.5 137.6 22.4 5.2 -2.6 17 17 A K - 0 0 47 165,-0.5 168,-1.9 -2,-0.3 2,-0.5 -0.509 13.4-124.3-110.1-178.9 22.6 6.3 -6.3 18 18 A N B -I 184 0B 96 166,-0.2 166,-0.2 -2,-0.2 165,-0.0 -0.973 7.7-163.8-135.3 117.5 24.9 5.5 -9.1 19 19 A Q > - 0 0 25 164,-2.7 3,-0.8 -2,-0.5 2,-0.3 0.855 26.9-169.4 -67.0 -29.6 26.8 8.1 -11.0 20 20 A G T 3 - 0 0 38 163,-0.4 -1,-0.2 1,-0.2 4,-0.1 -0.613 58.0 -23.2 76.4-142.5 27.5 5.8 -13.9 21 21 A Q T 3 S+ 0 0 128 -2,-0.3 2,-0.2 70,-0.1 -1,-0.2 0.590 110.8 95.6 -76.8 -28.2 30.1 7.1 -16.5 22 22 A a S < S- 0 0 2 -3,-0.8 2,-2.3 69,-0.1 3,-0.2 -0.533 81.1-123.5 -70.9 139.9 29.8 10.8 -15.8 23 23 A G + 0 0 26 40,-1.4 42,-0.3 -2,-0.2 3,-0.2 -0.425 69.0 128.5 -81.3 69.2 32.3 12.4 -13.5 24 24 A S > + 0 0 0 -2,-2.3 4,-2.0 1,-0.2 3,-0.4 0.219 20.0 117.6-110.2 13.9 29.5 13.7 -11.2 25 25 A C H > S+ 0 0 22 1,-0.3 4,-3.0 2,-0.2 3,-0.3 0.889 78.0 54.6 -40.7 -55.5 30.6 12.5 -7.8 26 26 A W H > S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.912 106.8 52.6 -46.8 -45.6 30.9 16.1 -6.7 27 27 A A H > S+ 0 0 0 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.858 110.4 45.9 -62.0 -41.3 27.3 16.5 -7.7 28 28 A F H X S+ 0 0 26 -4,-2.0 4,-2.4 -3,-0.3 -2,-0.2 0.909 112.1 51.5 -72.4 -31.3 26.2 13.5 -5.7 29 29 A S H X S+ 0 0 3 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.948 114.5 44.5 -69.2 -39.8 28.2 14.7 -2.7 30 30 A S H X S+ 0 0 0 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.795 112.9 49.1 -69.4 -40.5 26.6 18.2 -2.9 31 31 A V H X S+ 0 0 4 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.907 109.4 52.9 -68.5 -39.6 23.1 16.9 -3.4 32 32 A G H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.883 109.7 47.2 -64.9 -41.7 23.4 14.5 -0.5 33 33 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.815 113.2 51.4 -68.6 -30.0 24.5 17.4 1.9 34 34 A L H X S+ 0 0 1 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.917 107.7 50.7 -73.3 -42.1 21.6 19.4 0.5 35 35 A E H X S+ 0 0 4 -4,-2.8 4,-1.6 1,-0.2 11,-0.2 0.803 108.3 53.3 -62.9 -35.3 19.1 16.6 1.2 36 36 A G H X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.903 111.6 44.8 -65.8 -43.2 20.3 16.3 4.8 37 37 A Q H X S+ 0 0 21 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.835 110.8 53.8 -70.3 -33.5 19.8 20.0 5.4 38 38 A L H X>S+ 0 0 9 -4,-2.1 4,-3.3 2,-0.2 5,-0.5 0.868 107.0 52.6 -67.0 -38.2 16.3 20.0 3.7 39 39 A K H X5S+ 0 0 49 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.913 108.5 49.3 -62.4 -46.3 15.2 17.1 5.9 40 40 A K H <5S+ 0 0 99 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 117.0 44.0 -65.9 -26.4 16.2 19.1 9.0 41 41 A K H <5S+ 0 0 121 -4,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.893 131.4 13.4 -87.3 -49.2 14.4 22.1 7.8 42 42 A T H <5S- 0 0 75 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.602 91.4-121.3-107.8 -11.9 11.0 20.8 6.5 43 43 A G S <> + 0 0 0 33,-2.5 4,-1.3 -2,-0.2 3,-1.0 -0.569 34.2 173.5 -79.4 90.4 18.9 16.9 -8.8 50 50 A P H 3> S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.828 87.5 60.4 -63.6 -22.3 22.6 16.2 -9.5 51 51 A Q H 3> S+ 0 0 0 36,-0.4 4,-2.5 1,-0.2 5,-0.3 0.843 97.5 58.2 -67.0 -38.8 21.8 16.7 -13.2 52 52 A N H <> S+ 0 0 0 -3,-1.0 4,-1.4 35,-0.3 -1,-0.2 0.875 111.2 42.8 -54.8 -43.7 20.7 20.2 -12.4 53 53 A L H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.960 112.2 51.1 -69.7 -54.6 24.2 20.8 -11.0 54 54 A V H < S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.878 118.5 38.5 -49.8 -42.7 26.1 19.0 -13.8 55 55 A D H < S+ 0 0 24 -4,-2.5 41,-0.4 1,-0.1 -1,-0.2 0.779 127.4 31.6 -82.8 -24.8 24.2 21.0 -16.6 56 56 A b H < S+ 0 0 14 -4,-1.4 2,-1.7 -5,-0.3 -2,-0.2 0.634 83.6 93.5-113.7 -21.4 24.1 24.4 -14.8 57 57 A V >< - 0 0 4 -4,-2.8 3,-1.6 1,-0.2 5,-0.4 -0.673 49.3-178.9 -79.6 89.3 27.1 25.0 -12.5 58 58 A S T 3 S+ 0 0 110 -2,-1.7 -1,-0.2 1,-0.3 -4,-0.0 0.494 76.6 64.9 -61.9 -15.2 29.2 26.8 -15.2 59 59 A E T 3 S+ 0 0 86 11,-0.1 -1,-0.3 8,-0.1 2,-0.1 0.666 101.9 61.1 -83.2 -19.8 32.0 27.2 -12.7 60 60 A N S < S- 0 0 22 -3,-1.6 6,-0.2 -7,-0.2 -6,-0.0 -0.248 90.4-113.1 -97.7-172.6 32.4 23.5 -12.7 61 61 A D > - 0 0 107 4,-2.9 3,-1.4 1,-0.3 2,-0.2 0.082 36.2-138.6-110.5 20.9 33.2 21.0 -15.5 62 62 A G G > S- 0 0 6 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.415 86.1 -3.2 64.1-123.0 30.0 19.0 -15.9 63 63 A a G 3 S+ 0 0 19 1,-0.2 -40,-1.4 -2,-0.2 -1,-0.3 0.068 130.5 70.3 -83.4 12.6 30.9 15.3 -16.3 64 64 A G G < S- 0 0 53 -3,-1.4 -1,-0.2 1,-0.4 -2,-0.2 0.422 112.6 -98.1-102.4 -13.0 34.5 16.3 -16.2 65 65 A G < - 0 0 19 -3,-1.1 -4,-2.9 -42,-0.3 -1,-0.4 -0.552 44.0-175.6 122.7 173.6 34.3 17.2 -12.5 66 66 A G - 0 0 31 -6,-0.2 2,-0.3 -2,-0.2 -40,-0.1 -0.985 29.1 -75.7 173.4 177.8 33.9 20.1 -10.1 67 67 A Y > - 0 0 141 -2,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.847 21.3-139.1-103.9 148.3 33.9 21.4 -6.6 68 68 A M H > S+ 0 0 8 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.853 104.4 57.6 -67.0 -37.9 31.2 21.1 -4.0 69 69 A T H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.759 104.7 53.3 -65.7 -29.4 31.6 24.7 -2.8 70 70 A N H > S+ 0 0 43 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.860 108.6 49.6 -71.1 -41.8 30.8 25.8 -6.4 71 71 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.846 110.2 48.3 -67.3 -38.7 27.6 23.8 -6.5 72 72 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 37,-0.2 0.962 112.9 51.8 -67.0 -43.2 26.4 25.2 -3.1 73 73 A Q H X S+ 0 0 54 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.858 107.3 50.5 -58.5 -40.2 27.3 28.6 -4.5 74 74 A Y H X S+ 0 0 19 -4,-2.0 4,-3.2 1,-0.2 6,-0.2 0.936 110.5 49.1 -68.0 -42.1 25.3 28.1 -7.7 75 75 A V H <>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 32,-0.5 0.843 113.0 49.6 -61.6 -36.0 22.2 27.0 -5.7 76 76 A Q H <5S+ 0 0 74 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.940 117.7 36.7 -70.1 -49.5 22.6 30.1 -3.5 77 77 A K H <5S+ 0 0 159 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.945 118.5 50.2 -69.4 -46.1 22.9 32.6 -6.4 78 78 A N T <5S- 0 0 55 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.563 107.6-128.5 -65.9 -15.6 20.4 30.8 -8.6 79 79 A R T 5S+ 0 0 195 -4,-0.5 2,-0.3 -3,-0.4 -3,-0.2 0.793 70.4 5.2 68.5 33.7 18.0 30.8 -5.7 80 80 A G < - 0 0 0 -5,-2.0 2,-0.3 -6,-0.2 26,-0.2 -0.858 57.1-123.6 151.2 170.8 17.3 27.1 -5.9 81 81 A I E -K 105 0D 0 24,-1.5 23,-2.9 -2,-0.3 24,-1.3 -0.978 31.4-117.2-150.6 141.6 17.7 23.6 -7.2 82 82 A D E -K 103 0D 0 -2,-0.3 -33,-2.5 21,-0.3 21,-0.2 -0.346 28.3-106.7 -76.5 165.1 15.2 21.2 -8.7 83 83 A S B > -J 48 0C 18 19,-1.5 4,-1.4 -35,-0.3 -35,-0.3 -0.285 32.5-108.8 -81.7 170.5 14.1 17.8 -7.4 84 84 A E T 4 S+ 0 0 36 -37,-2.6 -36,-0.1 2,-0.2 5,-0.1 0.798 121.3 54.0 -69.7 -32.5 15.3 14.5 -9.1 85 85 A D T 4 S+ 0 0 142 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.936 111.3 42.9 -65.2 -45.9 11.8 14.1 -10.4 86 86 A A T 4 S+ 0 0 45 1,-0.3 -2,-0.2 16,-0.2 -1,-0.2 0.725 131.8 23.6 -73.6 -21.7 11.7 17.5 -11.9 87 87 A Y S < S- 0 0 6 -4,-1.4 -36,-0.4 15,-0.1 -35,-0.3 -0.723 86.7-160.0-146.2 79.4 15.2 17.2 -13.4 88 88 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.326 23.5-104.5 -63.5 151.9 16.1 13.5 -13.7 89 89 A Y + 0 0 50 1,-0.2 -5,-0.0 -5,-0.1 -40,-0.0 -0.549 36.9 171.1 -81.8 130.9 19.7 12.3 -14.0 90 90 A V - 0 0 80 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.713 40.8-126.8-107.4 -35.1 20.9 11.2 -17.4 91 91 A G S S+ 0 0 0 1,-0.4 2,-0.3 -71,-0.1 -69,-0.1 0.593 77.7 75.1 102.4 2.4 24.6 10.7 -16.8 92 92 A Q S S- 0 0 99 -70,-0.1 -1,-0.4 -71,-0.1 -2,-0.2 -0.961 88.9 -81.2-143.4 163.4 25.9 12.9 -19.5 93 93 A E + 0 0 112 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.1 -0.477 51.7 155.5 -67.4 130.0 26.2 16.6 -20.3 94 94 A E - 0 0 68 -2,-0.2 3,-0.1 -43,-0.2 -4,-0.0 -0.947 47.7 -77.1-148.6 162.2 23.2 18.5 -21.6 95 95 A S - 0 0 101 -2,-0.3 2,-0.2 1,-0.2 -39,-0.1 -0.156 61.9 -81.4 -60.3 154.1 22.2 22.2 -21.5 96 96 A b + 0 0 71 -41,-0.4 -1,-0.2 1,-0.1 -44,-0.1 -0.442 48.7 169.8 -65.2 122.1 20.8 23.8 -18.4 97 97 A M + 0 0 115 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.149 13.8 160.6-124.4 34.4 17.2 22.9 -18.1 98 98 A Y - 0 0 44 -46,-0.1 -11,-0.1 1,-0.1 5,-0.1 -0.384 22.0-162.0 -59.1 124.4 16.7 24.2 -14.5 99 99 A N > - 0 0 71 -2,-0.1 3,-2.0 1,-0.1 -1,-0.1 -0.931 14.0-153.5-116.2 120.7 13.0 24.8 -14.0 100 100 A P G > S+ 0 0 84 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.737 91.7 63.5 -64.9 -23.7 11.8 27.0 -11.2 101 101 A T G 3 S+ 0 0 132 1,-0.3 -15,-0.0 -15,-0.1 -2,-0.0 0.628 103.7 52.4 -74.3 -8.0 8.4 25.4 -10.7 102 102 A G G < S+ 0 0 15 -3,-2.0 -19,-1.5 -16,-0.1 -1,-0.3 0.155 77.4 142.6-107.5 16.3 10.3 22.2 -9.8 103 103 A K E < +K 82 0D 85 -3,-1.5 -21,-0.3 -21,-0.2 3,-0.1 -0.421 21.6 175.1 -61.1 118.4 12.4 24.0 -7.2 104 104 A A E - 0 0 21 -23,-2.9 2,-0.3 1,-0.2 -22,-0.2 0.625 59.4 -7.0-101.9 -16.6 12.8 21.6 -4.3 105 105 A A E -K 81 0D 3 -24,-1.3 -24,-1.5 -30,-0.0 2,-0.3 -0.976 53.8-138.4-169.3 169.3 15.2 23.6 -2.1 106 106 A K - 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