==== 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 10-SEP-97 1AU3 . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHAO,W.W.SMITH,C.A.JANSON,S.S.ABDEL-MEGUID . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 17.7 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 . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 19.1 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 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 3 1 0 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 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 0 138 0, 0.0 2,-0.3 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0 167.4 -47.2 -38.8 64.1 2 2 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.753 360.0-162.1-100.7 145.6 -47.9 -35.1 63.5 3 3 A D S S+ 0 0 110 -2,-0.3 2,-0.3 1,-0.2 123,-0.0 0.921 85.6 27.6 -81.0 -56.0 -48.7 -33.2 60.3 4 4 A S + 0 0 75 166,-0.1 2,-0.3 172,-0.0 166,-0.2 -0.819 67.7 169.4-108.0 151.3 -48.0 -29.7 61.5 5 5 A V E +A 169 0A 17 164,-2.5 164,-2.4 -2,-0.3 2,-0.3 -0.930 7.1 177.6-159.6 137.8 -45.5 -28.8 64.3 6 6 A D E > -A 168 0A 34 -2,-0.3 3,-0.6 162,-0.2 162,-0.2 -0.792 15.8-168.0-150.5 102.5 -44.2 -25.4 65.5 7 7 A Y T 3 >S+ 0 0 5 160,-1.8 5,-1.7 -2,-0.3 6,-0.7 0.314 87.0 71.1 -72.7 9.0 -41.8 -25.1 68.4 8 8 A R T > 5S+ 0 0 83 159,-0.3 3,-2.0 4,-0.2 2,-0.3 0.887 95.2 48.7 -85.7 -47.2 -42.4 -21.4 68.3 9 9 A K T < 5S+ 0 0 184 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.030 110.0 57.3 -81.3 29.2 -46.0 -21.6 69.5 10 10 A K T 3 5S- 0 0 104 -2,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.169 113.6-113.5-137.7 1.6 -44.6 -23.8 72.3 11 11 A G T < 5S+ 0 0 31 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.716 83.6 119.7 68.5 20.8 -42.1 -21.3 73.7 12 12 A Y < + 0 0 43 -5,-1.7 2,-0.5 -6,-0.1 27,-0.2 0.576 56.2 79.4 -91.0 -9.4 -39.1 -23.4 72.6 13 13 A V - 0 0 23 -6,-0.7 3,-0.1 -5,-0.3 -2,-0.1 -0.870 66.0-151.1-109.3 124.6 -37.7 -20.7 70.3 14 14 A T - 0 0 6 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.214 44.2 -65.6 -78.9 173.4 -35.6 -17.7 71.5 15 15 A P - 0 0 77 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.250 60.6 -93.9 -62.0 148.7 -35.6 -14.3 69.7 16 16 A V - 0 0 16 175,-0.2 170,-0.3 -3,-0.1 167,-0.1 -0.483 44.8-158.5 -69.6 115.0 -34.0 -14.1 66.3 17 17 A K - 0 0 40 -2,-0.5 168,-1.1 168,-0.1 2,-0.2 -0.106 9.2-133.3 -79.9-170.7 -30.4 -13.1 66.5 18 18 A N B -I 184 0B 94 166,-0.2 166,-0.2 167,-0.1 165,-0.1 -0.734 5.4-158.7-155.0 94.2 -28.3 -11.5 63.8 19 19 A Q - 0 0 13 164,-1.8 3,-0.1 -2,-0.2 165,-0.1 0.629 26.2-164.4 -49.1 -26.0 -24.8 -12.8 63.1 20 20 A G - 0 0 40 163,-0.2 2,-1.9 1,-0.2 4,-0.2 -0.259 59.0 -19.4 69.2-160.1 -23.5 -9.7 61.4 21 21 A Q S S+ 0 0 204 2,-0.1 2,-0.4 70,-0.0 -1,-0.2 -0.256 113.1 97.7 -81.4 54.4 -20.3 -9.8 59.2 22 22 A a S S- 0 0 6 -2,-1.9 2,-1.8 -3,-0.1 3,-0.2 -0.996 74.3-133.3-141.5 129.4 -19.1 -13.0 60.9 23 23 A G B +j 64 0C 29 40,-1.2 42,-1.2 -2,-0.4 3,-0.2 -0.570 65.2 124.7 -84.1 71.0 -19.6 -16.5 59.4 24 24 A S >> + 0 0 0 -2,-1.8 4,-1.9 -4,-0.2 3,-0.7 0.123 17.1 125.6-116.0 17.4 -20.8 -18.0 62.6 25 25 A C H 3> S+ 0 0 18 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.796 74.7 58.2 -48.4 -31.7 -24.2 -19.4 61.4 26 26 A W H 3> S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 3,-0.4 0.957 103.2 50.4 -62.5 -50.3 -23.0 -22.7 62.8 27 27 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 1,-0.3 -2,-0.2 0.923 114.1 45.8 -53.3 -47.3 -22.6 -21.3 66.3 28 28 A F H X S+ 0 0 19 -4,-1.9 4,-1.4 2,-0.2 -1,-0.3 0.743 111.9 51.8 -67.9 -28.9 -26.1 -19.8 66.0 29 29 A S H X S+ 0 0 2 -4,-1.6 4,-1.1 -3,-0.4 -2,-0.2 0.952 112.5 44.7 -72.4 -49.7 -27.4 -23.1 64.6 30 30 A S H >X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 3,-1.1 0.951 111.9 51.8 -58.2 -54.7 -26.0 -25.1 67.5 31 31 A V H 3X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.909 106.7 52.9 -50.2 -50.3 -27.1 -22.7 70.2 32 32 A G H 3X S+ 0 0 2 -4,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.757 108.0 52.4 -59.8 -27.2 -30.8 -22.7 68.9 33 33 A A H X S+ 0 0 13 -4,-1.9 4,-3.6 2,-0.2 3,-0.6 0.963 109.4 50.9 -67.6 -50.6 -33.6 -28.8 74.4 38 38 A L H 3X>S+ 0 0 7 -4,-3.6 4,-3.1 1,-0.3 5,-1.4 0.942 106.6 54.1 -51.5 -52.9 -33.0 -26.7 77.6 39 39 A K H 3<5S+ 0 0 64 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.839 116.4 39.7 -52.5 -32.7 -36.6 -25.4 77.5 40 40 A K H <<5S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.3 0.872 116.4 51.1 -84.4 -35.0 -37.7 -29.0 77.3 41 41 A K H <5S- 0 0 128 -4,-3.6 -2,-0.2 1,-0.1 -3,-0.2 0.960 137.8 -1.4 -65.2 -54.5 -35.1 -30.2 79.8 42 42 A T T <5S- 0 0 79 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.1 0.576 92.7-113.8-113.0 -21.7 -35.8 -27.7 82.6 43 43 A G S > - 0 0 0 33,-2.1 4,-1.3 1,-0.2 3,-0.5 -0.737 30.4-179.3 -99.3 109.5 -23.8 -18.0 73.7 50 50 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.861 90.0 60.4 -63.2 -34.1 -22.7 -18.3 70.0 51 51 A Q H 3> S+ 0 0 0 36,-0.4 4,-2.4 2,-0.2 5,-0.4 0.827 96.8 56.0 -64.1 -35.8 -19.6 -16.4 71.0 52 52 A N H <> S+ 0 0 0 -3,-0.5 4,-2.2 35,-0.3 -1,-0.2 0.925 113.8 43.6 -61.8 -39.4 -18.5 -19.0 73.5 53 53 A L H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.919 111.5 51.9 -70.0 -46.8 -18.7 -21.4 70.5 54 54 A V H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.937 120.8 32.4 -56.6 -52.8 -17.0 -19.1 68.0 55 55 A D H < S+ 0 0 18 -4,-2.4 41,-0.4 1,-0.2 -2,-0.2 0.883 123.4 44.0 -72.0 -44.7 -14.0 -18.5 70.2 56 56 A b H < S+ 0 0 16 -4,-2.2 2,-1.2 -5,-0.4 -3,-0.2 0.611 85.1 90.3 -83.1 -16.9 -13.7 -21.8 72.1 57 57 A V >< - 0 0 3 -4,-2.0 3,-0.9 1,-0.2 5,-0.3 -0.700 48.6-177.3 -86.6 99.4 -14.2 -24.5 69.4 58 58 A S T 3 S+ 0 0 109 -2,-1.2 -1,-0.2 1,-0.2 -2,-0.0 0.687 79.8 60.2 -66.2 -22.8 -10.7 -25.2 68.1 59 59 A E T 3 S+ 0 0 92 11,-0.1 -1,-0.2 -3,-0.1 2,-0.1 0.724 100.9 64.9 -76.7 -26.0 -12.0 -27.7 65.5 60 60 A N S < S- 0 0 13 -3,-0.9 6,-0.2 -7,-0.2 3,-0.1 -0.463 85.1-123.3 -94.2 169.0 -14.1 -25.0 63.8 61 61 A D > - 0 0 118 4,-2.5 3,-1.7 1,-0.3 2,-0.5 0.269 35.4-138.3 -98.9 12.4 -12.9 -21.9 62.0 62 62 A G T > S+ 0 0 0 1,-0.3 3,-1.1 -5,-0.3 -1,-0.3 -0.572 85.6 3.5 73.0-118.5 -14.8 -19.3 64.0 63 63 A a T 3 S+ 0 0 33 -2,-0.5 -40,-1.2 1,-0.3 -1,-0.3 0.632 126.2 70.5 -76.0 -12.2 -16.1 -16.6 61.7 64 64 A G B < S-j 23 0C 66 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.317 116.8 -94.5 -85.0 9.6 -14.8 -18.7 58.8 65 65 A G < - 0 0 23 -42,-1.2 -4,-2.5 -3,-1.1 -1,-0.3 -0.175 44.5-164.9 100.8 165.3 -17.5 -21.3 59.4 66 66 A G - 0 0 21 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.1 -0.956 26.6 -91.7-172.3 176.1 -17.7 -24.6 61.4 67 67 A Y > - 0 0 146 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.876 23.2-135.5-106.8 142.4 -19.7 -27.7 61.8 68 68 A M H > S+ 0 0 10 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.891 103.9 60.2 -63.1 -37.0 -22.5 -28.0 64.4 69 69 A T H > S+ 0 0 23 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.925 103.8 49.3 -57.9 -45.1 -21.3 -31.4 65.5 70 70 A N H > S+ 0 0 34 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.877 111.9 50.4 -60.6 -37.9 -17.9 -30.1 66.6 71 71 A A H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.769 112.1 46.6 -69.4 -31.8 -19.7 -27.3 68.5 72 72 A F H X S+ 0 0 0 -4,-1.9 4,-1.0 -3,-0.4 37,-0.3 0.940 111.6 50.0 -74.1 -50.5 -21.9 -29.9 70.2 73 73 A Q H X S+ 0 0 59 -4,-3.0 4,-2.9 1,-0.2 3,-0.4 0.831 107.6 56.0 -55.6 -37.2 -19.0 -32.2 71.1 74 74 A Y H X S+ 0 0 19 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.975 103.0 53.0 -62.0 -51.3 -17.2 -29.1 72.5 75 75 A V H <>S+ 0 0 0 -4,-1.4 5,-2.1 1,-0.2 32,-0.6 0.720 113.3 47.3 -55.6 -23.6 -20.1 -28.4 74.9 76 76 A Q H ><5S+ 0 0 79 -4,-1.0 3,-1.5 -3,-0.4 -2,-0.2 0.931 112.4 44.4 -83.8 -54.2 -19.7 -32.0 76.0 77 77 A K H 3<5S+ 0 0 156 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.781 119.9 43.4 -62.4 -28.6 -15.9 -32.2 76.5 78 78 A N T 3<5S- 0 0 67 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.371 104.9-132.6 -96.7 1.4 -16.0 -28.8 78.3 79 79 A R T < 5S+ 0 0 177 -3,-1.5 -3,-0.2 -5,-0.3 2,-0.1 0.893 71.6 27.5 48.1 48.4 -19.0 -29.7 80.3 80 80 A G < - 0 0 0 -5,-2.1 2,-0.4 -6,-0.2 26,-0.3 -0.485 55.9-139.8 144.6 150.3 -20.8 -26.5 79.6 81 81 A I E -L 105 0E 0 24,-2.3 23,-2.4 -2,-0.1 24,-1.1 -0.992 31.2-122.2-134.3 137.4 -21.6 -23.4 77.5 82 82 A D E -L 103 0E 0 -2,-0.4 -33,-2.1 21,-0.3 21,-0.2 -0.124 23.5-111.2 -73.7 173.2 -22.2 -19.8 78.8 83 83 A S B > -K 48 0D 18 19,-0.5 4,-1.2 -35,-0.3 -35,-0.3 -0.458 32.1-104.7 -95.7 172.7 -25.2 -17.6 78.4 84 84 A E T 4 S+ 0 0 45 -37,-2.4 3,-0.4 2,-0.2 -36,-0.1 0.942 121.8 58.0 -64.2 -40.7 -25.3 -14.4 76.3 85 85 A D T 4 S+ 0 0 157 -38,-0.3 -1,-0.2 1,-0.3 -37,-0.1 0.945 114.1 35.7 -48.9 -60.1 -25.2 -12.4 79.6 86 86 A A T 4 S+ 0 0 40 1,-0.3 -1,-0.3 16,-0.2 -2,-0.2 0.615 135.1 27.6 -70.1 -16.6 -21.9 -14.1 80.6 87 87 A Y S < S- 0 0 16 -4,-1.2 -36,-0.4 -3,-0.4 -35,-0.3 -0.481 79.1-165.5-149.5 75.8 -20.7 -14.1 77.0 88 88 A P - 0 0 78 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.117 30.3-105.9 -60.0 157.3 -22.1 -11.4 74.7 89 89 A Y + 0 0 50 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 -0.785 34.9 175.8 -88.1 112.6 -21.8 -11.7 70.9 90 90 A V - 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0 0 28 -23,-2.4 2,-0.3 1,-0.3 -22,-0.2 0.575 62.0 -30.8-111.9 -20.1 -26.4 -22.1 81.5 105 105 A A E -L 81 0E 16 -24,-1.1 -24,-2.3 -30,-0.0 -1,-0.3 -0.958 49.9-153.5-175.4-174.7 -26.3 -25.7 80.2 106 106 A K - 0 0 88 -2,-0.3 2,-0.3 -26,-0.3 -30,-0.2 -0.880 16.5-126.3-160.4-172.6 -24.2 -28.5 78.6 107 107 A C - 0 0 2 -32,-0.6 2,-0.4 -2,-0.3 108,-0.2 -0.998 9.1-139.7-152.9 148.8 -24.8 -31.6 76.5 108 108 A R S S- 0 0 160 106,-3.0 2,-0.1 -2,-0.3 107,-0.1 -0.409 72.0 -60.8-106.6 58.2 -24.0 -35.3 76.4 109 109 A G - 0 0 6 -2,-0.4 105,-3.4 -37,-0.3 2,-0.3 -0.374 59.4 -97.0 97.9-177.8 -23.2 -35.8 72.8 110 110 A Y E -B 213 0A 61 103,-0.3 2,-0.4 -2,-0.1 -41,-0.0 -0.927 14.0-136.5-139.7 162.1 -25.3 -35.5 69.6 111 111 A R E -B 212 0A 129 101,-2.6 101,-2.1 -2,-0.3 2,-0.3 -0.970 18.7-152.3-120.5 134.3 -27.3 -37.6 67.2 112 112 A E E -B 211 0A 87 -2,-0.4 99,-0.2 99,-0.2 97,-0.0 -0.772 13.4-129.0-103.3 154.4 -27.0 -37.1 63.4 113 113 A I - 0 0 17 97,-2.0 97,-0.2 -2,-0.3 3,-0.1 -0.837 34.4 -90.3-107.7 138.9 -29.8 -37.9 61.0 114 114 A P > - 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