==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JAN-05 1YK8 . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.G.BARRETT,D.N.DEATON,A.M.HASSELL,R.B.MCFADYEN,A.B.MILLER, . 213 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 60.6 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 18.8 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.2 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 . 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 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 1 117 A D 0 0 153 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.2 83.3 12.5 147.8 2 118 A S - 0 0 78 166,-0.1 2,-0.3 164,-0.0 166,-0.2 -0.971 360.0-170.8-177.9 150.9 84.6 9.4 146.2 3 119 A V E -A 167 0A 28 164,-2.1 164,-2.5 -2,-0.3 2,-0.4 -0.972 8.4-174.0-161.4 140.6 85.8 5.8 146.2 4 120 A D E >> -A 166 0A 22 -2,-0.3 3,-1.5 162,-0.2 4,-0.7 -0.864 8.5-166.0-135.1 94.8 87.4 3.3 144.0 5 121 A Y T 34>S+ 0 0 11 160,-2.6 5,-2.4 -2,-0.4 4,-0.4 0.572 81.1 79.8 -55.1 -10.7 87.6 -0.1 145.7 6 122 A R T 345S+ 0 0 93 159,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.845 98.3 40.0 -67.3 -37.2 90.1 -1.1 142.9 7 123 A K T <45S+ 0 0 178 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.704 109.0 64.4 -80.3 -21.1 92.9 0.7 144.6 8 124 A K T <5S- 0 0 106 -4,-0.7 -2,-0.2 1,-0.0 -1,-0.2 0.569 112.5-115.0 -77.4 -11.4 91.6 -0.6 147.9 9 125 A G T 5S+ 0 0 34 -4,-0.4 -3,-0.2 -3,-0.4 34,-0.1 0.682 82.8 122.6 80.4 19.2 92.3 -4.2 147.0 10 126 A Y < + 0 0 37 -5,-2.4 2,-0.4 155,-0.1 -4,-0.2 0.443 59.0 66.6 -90.4 -2.9 88.5 -5.0 147.1 11 127 A V - 0 0 27 -6,-0.4 3,-0.1 -5,-0.2 -2,-0.1 -0.966 64.1-149.7-133.1 135.0 88.4 -6.2 143.5 12 128 A T - 0 0 8 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.367 47.6 -62.7 -87.7 174.8 89.8 -9.2 141.6 13 129 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.024 60.0 -92.6 -52.8 161.9 90.7 -9.3 138.0 14 130 A V - 0 0 16 175,-0.2 170,-0.3 -3,-0.1 2,-0.2 -0.671 46.1-158.8 -77.7 127.6 88.2 -8.8 135.2 15 131 A K - 0 0 53 -2,-0.4 168,-2.3 165,-0.4 2,-0.5 -0.608 13.5-130.6-104.3 167.6 86.7 -12.1 134.0 16 132 A N B -I 182 0B 89 166,-0.3 166,-0.3 -2,-0.2 3,-0.1 -0.957 6.6-163.2-125.0 106.6 85.0 -13.0 130.7 17 133 A Q > - 0 0 13 164,-3.5 3,-0.6 -2,-0.5 165,-0.1 0.694 31.3-165.2 -58.6 -19.1 81.7 -14.8 131.0 18 134 A G T 3 - 0 0 45 163,-0.3 2,-0.3 1,-0.2 -1,-0.2 -0.391 57.2 -19.8 67.3-137.0 82.2 -15.8 127.4 19 135 A Q T 3 S+ 0 0 115 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.247 111.9 98.7-102.2 43.0 79.1 -17.1 125.7 20 136 A a S < S- 0 0 4 -3,-0.6 2,-1.2 -2,-0.3 3,-0.1 -0.976 75.0-129.6-123.7 142.3 77.2 -18.0 128.8 21 137 A G B S+j 62 0C 27 40,-1.5 42,-1.2 -2,-0.4 3,-0.3 -0.425 70.8 119.2 -86.2 57.9 74.5 -15.8 130.3 22 138 A S >> + 0 0 0 -2,-1.2 3,-1.9 1,-0.2 4,-1.3 -0.013 20.0 125.1-113.0 22.5 76.0 -15.9 133.8 23 139 A C H 3> S+ 0 0 17 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.894 73.6 60.9 -51.4 -39.1 76.7 -12.2 134.2 24 140 A W H 3> S+ 0 0 1 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.747 99.9 54.6 -58.5 -27.9 74.7 -12.5 137.4 25 141 A A H <> S+ 0 0 0 -3,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.829 108.8 46.3 -73.9 -38.1 77.2 -15.0 138.8 26 142 A F H X S+ 0 0 23 -4,-1.3 4,-2.4 -3,-0.5 -2,-0.2 0.908 110.3 55.0 -68.9 -41.6 80.1 -12.7 138.3 27 143 A S H X S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.903 110.3 45.2 -57.6 -43.8 78.2 -9.8 139.8 28 144 A S H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.899 111.0 51.4 -71.1 -40.5 77.5 -11.8 142.9 29 145 A V H X S+ 0 0 7 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.924 106.7 55.7 -65.6 -40.2 81.0 -13.1 143.3 30 146 A G H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.955 110.7 44.4 -50.4 -52.6 82.4 -9.6 143.0 31 147 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.928 114.1 48.9 -61.1 -49.3 80.2 -8.5 145.9 32 148 A L H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.905 112.6 49.7 -56.5 -38.8 81.0 -11.5 148.0 33 149 A E H X S+ 0 0 3 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.896 107.9 52.2 -71.4 -39.8 84.7 -10.9 147.3 34 150 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.885 111.0 48.6 -59.3 -39.8 84.5 -7.2 148.2 35 151 A Q H X S+ 0 0 15 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.688 107.6 55.9 -74.7 -22.0 82.9 -8.3 151.5 36 152 A L H X>S+ 0 0 17 -4,-1.1 4,-2.6 2,-0.2 5,-0.5 0.954 109.3 44.1 -73.5 -55.6 85.6 -10.9 152.0 37 153 A K H X5S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.945 113.7 54.6 -48.5 -51.0 88.4 -8.3 151.7 38 154 A K H <5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.0 34.6 -50.9 -50.8 86.4 -6.0 154.0 39 155 A K H <5S+ 0 0 63 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.899 132.6 22.4 -76.4 -43.2 86.0 -8.5 156.8 40 156 A T H <5S- 0 0 82 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.543 100.4-112.5-109.4 -10.2 89.2 -10.5 156.8 41 157 A G S < + 0 0 0 33,-2.3 4,-0.7 1,-0.1 33,-0.2 -0.792 34.1 174.5 -98.6 106.0 83.3 -19.4 141.9 48 164 A P H > S+ 0 0 4 0, 0.0 4,-3.6 0, 0.0 3,-0.2 0.825 84.3 62.6 -72.4 -28.2 80.5 -18.3 139.6 49 165 A Q H > S+ 0 0 0 36,-0.3 4,-3.4 1,-0.3 5,-0.3 0.961 96.6 58.5 -60.9 -45.2 80.1 -21.7 138.1 50 166 A N H > S+ 0 0 0 35,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.862 112.4 41.6 -48.8 -36.9 79.1 -22.9 141.5 51 167 A L H X S+ 0 0 0 -4,-0.7 4,-2.1 -3,-0.2 -2,-0.3 0.923 112.3 52.3 -76.9 -45.3 76.3 -20.3 141.1 52 168 A V H < S+ 0 0 2 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.940 121.2 34.5 -53.8 -45.9 75.5 -21.1 137.5 53 169 A D H < S+ 0 0 17 -4,-3.4 41,-0.6 -5,-0.2 -1,-0.2 0.698 126.1 35.2 -84.4 -26.1 75.2 -24.8 138.4 54 170 A b H < S+ 0 0 10 -4,-1.5 2,-1.5 -5,-0.3 -3,-0.2 0.620 85.8 93.5-112.1 -19.8 73.7 -24.7 141.9 55 171 A V >< + 0 0 3 -4,-2.1 3,-1.5 1,-0.2 5,-0.4 -0.602 48.7 177.3 -78.1 85.9 71.3 -21.6 142.0 56 172 A S T 3 S+ 0 0 106 -2,-1.5 -1,-0.2 1,-0.3 -5,-0.0 0.760 76.6 61.5 -63.8 -28.9 68.2 -23.5 141.1 57 173 A E T 3 S+ 0 0 136 11,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.691 100.5 68.3 -73.8 -19.2 66.1 -20.4 141.4 58 174 A N S < S- 0 0 16 -3,-1.5 6,-0.2 -7,-0.2 3,-0.1 -0.382 88.0-121.6 -91.8 174.4 68.2 -18.9 138.6 59 175 A D > - 0 0 108 4,-2.6 3,-2.3 1,-0.3 2,-0.3 0.022 36.4-139.9-108.6 22.6 68.3 -19.9 135.0 60 176 A G T > S+ 0 0 0 -5,-0.4 3,-0.8 1,-0.3 -1,-0.3 -0.372 83.5 1.9 60.2-117.0 71.9 -20.8 134.7 61 177 A a T 3 S+ 0 0 43 -2,-0.3 -40,-1.5 1,-0.2 -1,-0.3 0.474 129.2 67.9 -79.5 -3.8 73.3 -19.6 131.4 62 178 A G B < S-j 21 0C 52 -3,-2.3 -1,-0.2 1,-0.4 -2,-0.2 0.094 116.6 -79.8-101.2 19.7 69.9 -18.2 130.6 63 179 A G < + 0 0 27 -42,-1.2 -4,-2.6 -3,-0.8 -1,-0.4 -0.321 51.7 179.8 105.4 169.1 69.9 -15.4 133.3 64 180 A G - 0 0 28 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.1 -0.922 28.1 -90.7 166.7 167.5 69.4 -15.0 137.0 65 181 A Y > - 0 0 127 -2,-0.3 4,-1.2 1,-0.1 3,-0.2 -0.881 14.5-146.1-107.7 133.5 69.2 -12.8 140.1 66 182 A M H > S+ 0 0 6 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.721 102.0 64.0 -60.7 -29.3 72.1 -12.1 142.5 67 183 A T H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 104.3 45.7 -58.5 -47.6 69.5 -12.0 145.4 68 184 A N H > S+ 0 0 44 -3,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.843 113.7 52.3 -61.8 -33.5 68.8 -15.6 144.7 69 185 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.892 107.5 47.7 -75.2 -38.8 72.5 -16.1 144.6 70 186 A F H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.917 112.8 51.2 -65.2 -40.4 73.3 -14.5 147.9 71 187 A Q H X S+ 0 0 85 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.780 106.6 54.6 -64.2 -34.2 70.5 -16.5 149.5 72 188 A Y H X S+ 0 0 29 -4,-1.3 4,-3.8 2,-0.2 6,-0.3 0.926 107.0 49.2 -66.7 -48.0 71.9 -19.7 148.0 73 189 A V H X>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.8 0.945 114.3 46.8 -60.1 -47.2 75.4 -19.2 149.5 74 190 A Q H ><5S+ 0 0 62 -4,-2.1 3,-1.4 2,-0.2 -2,-0.2 0.976 117.9 39.8 -55.4 -64.3 73.8 -18.5 152.9 75 191 A K H 3<5S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.877 117.4 50.8 -51.2 -43.8 71.4 -21.5 152.8 76 192 A N H 3<5S- 0 0 41 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.615 111.8-124.8 -70.4 -11.8 74.2 -23.6 151.2 77 193 A R T <<5S- 0 0 182 -3,-1.4 2,-0.3 -4,-0.8 -3,-0.2 0.733 73.8 -16.3 70.3 23.0 76.6 -22.4 154.1 78 194 A G < - 0 0 0 -5,-2.7 2,-0.3 -6,-0.3 26,-0.2 -0.779 61.4-106.7 144.6 176.7 79.1 -21.1 151.6 79 195 A I E -L 103 0E 0 24,-1.3 23,-2.5 -2,-0.3 24,-0.9 -0.978 32.8-114.4-138.6 148.8 80.5 -20.9 148.2 80 196 A D E -L 101 0E 1 -2,-0.3 -33,-2.3 21,-0.3 21,-0.2 -0.208 26.8-108.4 -79.1 169.3 83.7 -22.3 146.6 81 197 A S B > -K 46 0D 17 19,-0.8 4,-1.7 -35,-0.3 -35,-0.3 -0.473 34.7-103.0 -88.3 166.9 86.7 -20.6 145.3 82 198 A E T 4 S+ 0 0 46 -37,-3.1 3,-0.3 1,-0.2 -36,-0.1 0.948 120.4 49.8 -55.0 -53.3 87.6 -20.3 141.6 83 199 A D T 4 S+ 0 0 148 -38,-0.3 -1,-0.2 1,-0.2 -37,-0.1 0.867 110.2 48.8 -52.4 -48.6 90.3 -23.1 141.9 84 200 A A T 4 S+ 0 0 55 1,-0.3 -1,-0.2 16,-0.2 -2,-0.2 0.805 129.7 19.3 -66.7 -35.8 88.0 -25.6 143.7 85 201 A Y S < S- 0 0 3 -4,-1.7 -35,-0.4 -3,-0.3 -36,-0.3 -0.753 91.9-153.4-138.2 83.6 85.0 -25.3 141.2 86 202 A P - 0 0 68 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.321 21.4-103.7 -72.8 138.7 86.5 -23.7 137.9 87 203 A Y + 0 0 54 1,-0.2 -5,-0.0 -2,-0.1 -40,-0.0 -0.306 41.4 169.0 -58.4 123.0 84.6 -21.7 135.4 88 204 A V - 0 0 88 2,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.630 45.4-119.2-109.5 -18.0 83.8 -23.8 132.4 89 205 A G S S+ 0 0 23 1,-0.2 2,-0.3 -71,-0.1 -2,-0.1 0.408 81.8 71.9 97.6 -5.8 81.3 -21.6 130.5 90 206 A Q S S- 0 0 120 -70,-0.1 -2,-0.2 -68,-0.0 -1,-0.2 -0.974 84.8 -95.5-145.0 156.3 78.2 -23.9 130.4 91 207 A E + 0 0 100 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.1 -0.455 50.7 162.0 -77.6 142.5 75.7 -25.2 132.9 92 208 A E - 0 0 82 -43,-0.2 2,-0.2 -2,-0.2 3,-0.1 -0.873 46.7 -54.3-147.5 175.2 76.3 -28.5 134.5 93 209 A S - 0 0 100 -2,-0.3 -39,-0.1 1,-0.1 -40,-0.1 -0.415 69.5-100.5 -55.5 119.1 75.5 -30.8 137.3 94 210 A b - 0 0 64 -41,-0.6 -1,-0.1 -2,-0.2 -44,-0.1 -0.239 43.1-178.6 -44.2 122.6 76.0 -28.9 140.6 95 211 A M + 0 0 107 -3,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.268 14.5 163.3-122.8 39.0 79.4 -30.1 141.9 96 212 A Y - 0 0 49 -46,-0.1 -11,-0.0 -43,-0.0 -17,-0.0 -0.424 15.8-169.7 -70.5 139.0 79.6 -28.1 145.1 97 213 A N > - 0 0 85 -2,-0.1 3,-1.7 1,-0.1 4,-0.2 -0.980 24.0-144.0-128.6 120.4 82.2 -29.3 147.7 98 214 A P G > S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.619 98.0 69.1 -52.8 -14.2 82.4 -28.0 151.3 99 215 A T G 3 S+ 0 0 128 1,-0.2 -15,-0.0 -15,-0.1 -3,-0.0 0.772 94.7 54.5 -79.5 -30.0 86.3 -28.3 151.1 100 216 A G G < S+ 0 0 11 -3,-1.7 -19,-0.8 -16,-0.1 -1,-0.2 0.479 76.8 139.0 -75.9 0.5 86.4 -25.5 148.6 101 217 A K E < +L 80 0E 100 -3,-0.7 -21,-0.3 -4,-0.2 3,-0.1 -0.200 11.2 153.9 -60.9 128.5 84.5 -23.1 150.8 102 218 A A E + 0 0 27 -23,-2.5 2,-0.3 1,-0.3 -22,-0.2 0.388 58.2 31.3-134.3 3.3 86.1 -19.7 150.7 103 219 A A E -L 79 0E 5 -24,-0.9 -24,-1.3 -26,-0.1 2,-0.3 -0.986 59.0-154.4-155.2 151.6 83.3 -17.2 151.6 104 220 A K - 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