==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUN-04 1TU6 . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.G.BARRETT,J.G.CATALANO,D.N.DEATON,A.M.HASSELL,S.T.LONG, . 430 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 29 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 2 0 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 8 4 0 2 4 0 2 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 . 2 0 0 0 0 0 0 2 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 1 115 A A 0 0 88 0, 0.0 122,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 141.4 69.7 -65.7 173.5 2 116 A P - 0 0 72 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.205 360.0-115.9 -64.2 157.3 73.2 -64.8 172.4 3 117 A D S S+ 0 0 136 1,-0.2 2,-0.3 168,-0.0 0, 0.0 0.820 99.5 15.2 -64.8 -29.6 73.8 -61.7 170.2 4 118 A S - 0 0 62 166,-0.1 2,-0.3 2,-0.0 166,-0.2 -0.993 63.9-176.0-146.5 150.9 75.1 -64.1 167.5 5 119 A V E -A 169 0A 12 164,-2.7 164,-2.2 -2,-0.3 2,-0.3 -0.993 5.7-179.0-147.1 141.5 75.0 -67.9 166.8 6 120 A D E >> -A 168 0A 24 -2,-0.3 3,-1.3 162,-0.2 4,-0.6 -0.783 6.7-172.8-145.4 95.3 76.6 -70.0 164.0 7 121 A Y T 34>S+ 0 0 10 160,-2.8 5,-2.1 -2,-0.3 6,-0.5 0.637 81.3 74.7 -64.1 -13.9 75.8 -73.7 164.2 8 122 A R T >45S+ 0 0 95 159,-0.3 3,-0.9 1,-0.2 -1,-0.3 0.885 94.4 51.4 -65.1 -37.3 78.3 -74.3 161.3 9 123 A K T <45S+ 0 0 175 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.775 107.2 54.2 -68.9 -27.6 81.1 -73.7 163.9 10 124 A K T 3<5S- 0 0 113 -4,-0.6 -1,-0.2 -3,-0.1 -2,-0.2 0.442 114.8-112.6 -87.6 -2.1 79.6 -76.3 166.2 11 125 A G T < 5S+ 0 0 27 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.820 82.3 122.3 75.3 30.4 79.4 -79.1 163.6 12 126 A Y < + 0 0 50 -5,-2.1 2,-0.5 155,-0.1 -4,-0.2 0.454 58.7 74.0 -99.4 -4.5 75.6 -79.2 163.5 13 127 A V - 0 0 20 -6,-0.5 3,-0.1 -5,-0.2 -1,-0.1 -0.944 68.4-147.4-121.3 124.1 75.6 -78.5 159.7 14 128 A T - 0 0 2 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.208 45.3 -71.7 -74.0 169.6 76.5 -80.9 156.9 15 129 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.142 60.8 -87.0 -60.5 161.4 78.0 -79.7 153.7 16 130 A V - 0 0 27 175,-0.2 170,-0.3 -3,-0.1 2,-0.2 -0.525 47.9-153.7 -72.0 133.7 76.0 -77.7 151.2 17 131 A K - 0 0 48 165,-0.4 168,-2.5 -2,-0.2 2,-0.5 -0.544 10.8-132.5-103.8 170.6 74.1 -79.9 148.7 18 132 A N B -I 184 0B 101 166,-0.3 166,-0.2 -2,-0.2 165,-0.0 -0.975 9.7-163.9-127.1 113.7 72.8 -79.3 145.1 19 133 A Q - 0 0 13 164,-2.6 5,-0.1 -2,-0.5 3,-0.1 0.598 25.3-161.7 -75.6 -11.2 69.2 -80.3 144.5 20 134 A G - 0 0 30 163,-0.2 2,-1.3 1,-0.2 -1,-0.2 -0.288 56.5 -16.9 68.1-151.3 69.5 -80.2 140.7 21 135 A Q S S+ 0 0 89 70,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.382 111.0 97.1 -90.0 56.9 66.4 -80.1 138.4 22 136 A a S S- 0 0 2 -2,-1.3 2,-2.3 -3,-0.1 42,-0.1 -0.986 75.9-130.1-146.7 129.0 64.0 -81.1 141.1 23 137 A G B +j 64 0C 14 40,-2.0 42,-0.9 -2,-0.3 3,-0.3 -0.354 66.5 126.5 -79.8 61.7 61.8 -78.8 143.3 24 138 A S >> + 0 0 0 -2,-2.3 4,-1.8 1,-0.2 3,-1.3 0.070 17.7 122.2-106.1 21.4 63.0 -80.5 146.5 25 139 A C H 3> S+ 0 0 16 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.878 75.0 57.7 -52.2 -38.3 64.2 -77.5 148.4 26 140 A W H 3> S+ 0 0 1 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.815 104.3 51.2 -61.9 -32.9 61.7 -78.4 151.1 27 141 A A H <> S+ 0 0 0 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.873 111.1 46.6 -74.1 -38.4 63.3 -81.8 151.5 28 142 A F H X S+ 0 0 19 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.917 112.6 50.8 -68.3 -41.2 66.8 -80.4 151.9 29 143 A S H X S+ 0 0 4 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.943 112.3 48.1 -59.1 -46.9 65.5 -77.8 154.4 30 144 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 112.0 46.3 -61.0 -50.2 63.8 -80.6 156.3 31 145 A V H X S+ 0 0 6 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.860 109.0 57.6 -63.5 -32.7 66.9 -82.9 156.4 32 146 A G H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.922 108.9 44.3 -62.4 -43.2 69.0 -80.0 157.4 33 147 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.889 115.0 49.2 -68.3 -38.1 66.8 -79.4 160.5 34 148 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.899 107.7 54.0 -67.1 -40.3 66.8 -83.1 161.2 35 149 A E H X S+ 0 0 3 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.836 106.5 54.1 -62.7 -33.3 70.6 -83.3 160.9 36 150 A G H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.940 112.1 41.4 -66.5 -47.1 70.9 -80.5 163.4 37 151 A Q H X S+ 0 0 19 -4,-1.7 4,-1.7 2,-0.2 5,-0.2 0.817 112.1 56.0 -70.5 -32.0 68.8 -82.3 166.1 38 152 A L H X>S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 6,-0.6 0.926 110.1 45.3 -65.3 -44.4 70.4 -85.6 165.3 39 153 A K H X5S+ 0 0 51 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.895 112.9 51.7 -64.3 -40.4 73.9 -84.2 166.0 40 154 A K H <5S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 118.9 35.4 -68.5 -29.0 72.5 -82.4 169.1 41 155 A K H <5S+ 0 0 118 -4,-1.7 -2,-0.2 3,-0.1 -1,-0.2 0.830 133.7 21.8 -94.9 -36.7 71.0 -85.7 170.5 42 156 A T H <5S- 0 0 71 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.592 93.7-124.9-107.6 -15.6 73.6 -88.3 169.4 43 157 A G S < + 0 0 0 33,-2.4 4,-1.1 -2,-0.2 33,-0.2 -0.678 35.4 175.0 -89.4 104.8 68.1 -88.6 152.9 50 164 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.844 87.3 60.5 -72.1 -27.3 66.2 -85.9 151.1 51 165 A Q H > S+ 0 0 2 36,-0.4 4,-2.9 1,-0.2 5,-0.3 0.899 97.1 59.4 -62.3 -39.9 65.2 -88.5 148.4 52 166 A N H > S+ 0 0 0 35,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.913 110.7 42.0 -53.8 -44.6 63.5 -90.5 151.2 53 167 A L H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.949 112.3 52.5 -69.5 -49.9 61.3 -87.4 151.7 54 168 A V H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.916 119.2 35.9 -51.7 -47.1 60.7 -86.6 148.0 55 169 A D H < S+ 0 0 16 -4,-2.9 41,-0.4 -5,-0.1 -1,-0.2 0.772 126.0 35.2 -79.5 -29.9 59.6 -90.2 147.3 56 170 A b H < S+ 0 0 15 -4,-1.9 2,-1.7 -5,-0.3 -3,-0.2 0.650 85.0 91.9-105.4 -18.1 57.7 -91.0 150.5 57 171 A V >< - 0 0 7 -4,-2.5 3,-1.3 -5,-0.2 5,-0.4 -0.622 52.3-176.7 -82.3 89.6 55.9 -87.9 151.7 58 172 A S T 3 S+ 0 0 113 -2,-1.7 -1,-0.2 1,-0.3 -5,-0.0 0.760 76.0 59.8 -56.5 -32.2 52.6 -88.5 149.9 59 173 A E T 3 S+ 0 0 120 -3,-0.1 -1,-0.3 11,-0.1 2,-0.1 0.732 99.9 67.7 -73.0 -21.8 51.1 -85.2 151.1 60 174 A N S < S- 0 0 10 -3,-1.3 6,-0.2 -7,-0.2 3,-0.1 -0.375 90.1-116.9 -90.3 175.6 53.9 -83.2 149.4 61 175 A D > - 0 0 118 4,-2.3 3,-2.5 1,-0.3 2,-0.2 -0.021 34.2-139.5-106.3 31.3 54.4 -82.9 145.7 62 176 A G T > S+ 0 0 1 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.294 86.7 4.7 54.9-117.5 57.8 -84.5 145.3 63 177 A a T 3 S+ 0 0 9 1,-0.2 -40,-2.0 -2,-0.2 -1,-0.3 0.371 127.7 69.1 -79.5 5.5 59.9 -82.5 142.8 64 178 A G B < S-j 23 0C 34 -3,-2.5 -1,-0.2 1,-0.4 -2,-0.2 0.283 113.6 -89.5-105.6 8.5 57.0 -80.0 142.6 65 179 A G < - 0 0 19 -3,-1.1 -4,-2.3 -42,-0.9 -1,-0.4 -0.395 46.3-170.2 110.6 171.6 57.4 -78.6 146.2 66 180 A G - 0 0 28 -6,-0.2 2,-0.4 -5,-0.1 -6,-0.1 -0.962 28.5 -81.8 174.1 170.3 56.2 -79.4 149.7 67 181 A Y > - 0 0 132 -2,-0.3 4,-1.3 1,-0.1 3,-0.2 -0.768 23.0-144.1 -95.1 136.3 55.8 -78.4 153.3 68 182 A M H > S+ 0 0 8 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.869 102.4 58.4 -64.7 -35.9 58.6 -79.1 155.8 69 183 A T H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 102.0 53.6 -63.5 -33.8 56.0 -79.9 158.5 70 184 A N H > S+ 0 0 31 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 108.4 51.1 -66.9 -35.2 54.6 -82.7 156.3 71 185 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.930 110.5 47.0 -65.9 -45.8 58.1 -84.1 156.1 72 186 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.916 112.6 50.8 -61.4 -43.0 58.6 -84.0 159.8 73 187 A Q H X S+ 0 0 66 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.916 108.5 52.5 -60.4 -44.9 55.2 -85.6 160.3 74 188 A Y H X S+ 0 0 34 -4,-2.5 4,-2.5 1,-0.2 6,-0.3 0.937 108.6 48.9 -56.9 -50.3 56.2 -88.3 157.8 75 189 A V H X>S+ 0 0 1 -4,-2.4 5,-2.0 2,-0.2 4,-0.7 0.909 113.2 48.9 -57.9 -41.9 59.4 -89.2 159.6 76 190 A Q H ><5S+ 0 0 61 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.973 116.7 38.8 -61.7 -57.1 57.4 -89.4 162.9 77 191 A K H 3<5S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.749 115.5 54.5 -66.8 -24.5 54.6 -91.6 161.6 78 192 A N H 3<5S- 0 0 48 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.570 107.3-126.9 -85.1 -10.3 57.1 -93.7 159.5 79 193 A R T <<5S- 0 0 194 -3,-1.1 2,-0.2 -4,-0.7 -3,-0.2 0.740 74.5 -0.8 69.7 24.2 59.2 -94.3 162.6 80 194 A G < - 0 0 0 -5,-2.0 2,-0.3 -6,-0.3 26,-0.2 -0.817 60.0-117.8 150.5 169.3 62.3 -93.0 160.9 81 195 A I E -L 105 0E 0 24,-1.6 23,-2.6 -2,-0.2 24,-1.0 -0.991 34.4-116.4-140.0 140.7 64.2 -91.6 157.9 82 196 A D E -L 103 0E 0 -2,-0.3 -33,-2.4 21,-0.3 21,-0.2 -0.321 28.6-108.2 -76.6 161.6 67.1 -93.2 156.0 83 197 A S B > -K 48 0D 22 19,-1.6 4,-1.3 -35,-0.3 -35,-0.3 -0.406 31.8-110.0 -80.3 164.4 70.6 -91.8 155.8 84 198 A E T 4 S+ 0 0 39 -37,-2.8 3,-0.2 1,-0.2 -36,-0.1 0.895 119.5 54.8 -62.4 -41.0 71.8 -90.3 152.5 85 199 A D T 4 S+ 0 0 138 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.847 111.2 44.1 -62.7 -33.5 74.1 -93.3 152.0 86 200 A A T 4 S+ 0 0 44 1,-0.2 -1,-0.2 16,-0.2 -2,-0.2 0.697 129.9 24.6 -84.2 -19.9 71.3 -95.7 152.4 87 201 A Y S < S- 0 0 10 -4,-1.3 -36,-0.4 -3,-0.2 -35,-0.4 -0.553 89.1-157.2-146.7 71.4 68.9 -93.8 150.2 88 202 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.071 21.5-107.4 -53.7 145.8 71.0 -91.6 147.8 89 203 A Y + 0 0 45 1,-0.1 -5,-0.0 2,-0.1 -40,-0.0 -0.613 37.4 171.9 -78.7 129.1 69.7 -88.4 146.1 90 204 A V - 0 0 86 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.505 45.4-115.2-117.1 -8.4 69.0 -88.9 142.4 91 205 A G S S+ 0 0 20 1,-0.2 2,-0.3 -71,-0.1 -70,-0.1 0.583 84.9 67.1 88.1 7.2 67.3 -85.6 141.4 92 206 A Q S S- 0 0 115 -70,-0.1 -2,-0.3 -72,-0.0 2,-0.2 -0.981 89.1 -88.7-153.6 157.3 63.8 -86.9 140.4 93 207 A E + 0 0 104 -2,-0.3 2,-0.2 -3,-0.1 -38,-0.1 -0.481 47.7 174.7 -71.9 137.6 60.9 -88.5 142.1 94 208 A E - 0 0 71 -43,-0.2 2,-0.1 -2,-0.2 3,-0.1 -0.778 41.4 -73.0-131.2 175.6 60.9 -92.3 142.4 95 209 A S - 0 0 98 -2,-0.2 2,-0.2 1,-0.1 -39,-0.1 -0.439 68.8 -83.3 -70.0 147.6 58.8 -94.9 144.1 96 210 A b + 0 0 71 -41,-0.4 -1,-0.1 1,-0.1 -44,-0.1 -0.343 51.5 173.2 -57.0 115.9 59.1 -95.0 147.8 97 211 A M + 0 0 107 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.173 20.7 147.0-117.8 38.3 62.2 -97.1 148.6 98 212 A Y - 0 0 43 -46,-0.1 -11,-0.0 -16,-0.0 3,-0.0 -0.496 20.8-179.5 -74.6 144.6 62.4 -96.5 152.4 99 213 A N > - 0 0 56 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.963 33.6-134.1-148.6 128.4 63.8 -99.4 154.5 100 214 A P G > S+ 0 0 86 0, 0.0 3,-1.5 0, 0.0 -19,-0.1 0.737 99.9 74.1 -52.1 -25.2 64.2 -99.5 158.3 101 215 A T G 3 S+ 0 0 135 1,-0.3 -3,-0.0 -15,-0.0 -15,-0.0 0.858 99.9 42.5 -59.5 -36.0 67.7 -101.1 157.8 102 216 A G G < S+ 0 0 13 -3,-1.8 -19,-1.6 -16,-0.1 -1,-0.3 0.343 83.3 140.8 -93.3 7.7 69.1 -97.7 156.7 103 217 A K E < +L 82 0E 71 -3,-1.5 -21,-0.3 -4,-0.3 3,-0.1 -0.221 15.7 163.5 -51.8 132.1 67.3 -95.7 159.4 104 218 A A E + 0 0 19 -23,-2.6 2,-0.3 1,-0.4 -22,-0.2 0.414 59.1 18.8-131.8 -5.3 69.5 -93.0 160.8 105 219 A A E -L 81 0E 8 -24,-1.0 -24,-1.6 -30,-0.0 -1,-0.4 -0.981 56.3-151.8-164.8 154.7 67.1 -90.7 162.7 106 220 A K - 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