==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-AUG-05 2AUX . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.K.ADKISON,D.G.BARRETT,D.N.DEATON,R.T.GAMPE,A.M.HASSELL, . 213 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 61.0 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 . 16 7.5 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 . 42 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 1 0 0 2 0 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 3 A D 0 0 144 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.4 28.1 91.6 81.1 2 4 A S - 0 0 84 166,-0.1 2,-0.3 122,-0.0 166,-0.2 -0.971 360.0-157.5-158.3 151.8 28.8 87.9 80.8 3 5 A V E -A 167 0A 25 164,-1.7 164,-1.8 -2,-0.3 2,-0.3 -0.992 8.2-172.4-138.8 146.5 29.1 85.0 83.3 4 6 A D E > -A 166 0A 27 -2,-0.3 3,-1.6 162,-0.2 4,-0.4 -0.799 3.1-172.4-140.2 94.5 30.8 81.6 83.2 5 7 A Y G > >S+ 0 0 7 160,-2.5 5,-2.3 -2,-0.3 3,-0.9 0.673 83.5 71.9 -61.0 -18.3 30.0 79.4 86.2 6 8 A R G > 5S+ 0 0 98 159,-0.3 3,-0.9 1,-0.2 -1,-0.3 0.884 95.2 54.3 -63.4 -35.2 32.6 76.9 84.9 7 9 A K G < 5S+ 0 0 177 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.631 108.1 48.6 -72.7 -15.1 35.1 79.5 86.0 8 10 A K G < 5S- 0 0 113 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.394 116.0-110.9-104.8 0.4 33.7 79.6 89.5 9 11 A G T < 5S+ 0 0 26 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.818 79.9 127.0 74.9 31.0 33.6 75.9 90.0 10 12 A Y < + 0 0 32 -5,-2.3 2,-0.5 155,-0.1 -4,-0.2 0.443 56.6 75.3 -95.2 -3.6 29.8 75.6 89.9 11 13 A V - 0 0 21 -6,-0.5 3,-0.1 -5,-0.2 32,-0.1 -0.937 65.7-149.0-122.2 129.8 29.8 73.0 87.2 12 14 A T - 0 0 3 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.255 45.6 -71.4 -80.0 171.2 30.6 69.3 87.3 13 15 A P - 0 0 84 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.202 61.7 -85.6 -62.6 159.1 32.1 67.4 84.4 14 16 A V - 0 0 18 175,-0.2 170,-0.2 -3,-0.1 2,-0.2 -0.441 47.5-153.3 -66.9 133.5 29.9 66.6 81.3 15 17 A K - 0 0 46 165,-0.4 168,-2.2 -2,-0.2 2,-0.4 -0.526 7.8-131.1-102.5 172.7 27.9 63.4 81.7 16 18 A N B -I 182 0B 89 166,-0.3 166,-0.2 -2,-0.2 3,-0.1 -0.977 2.8-150.1-130.4 118.1 26.6 61.0 79.0 17 19 A Q - 0 0 14 164,-2.4 165,-0.1 -2,-0.4 5,-0.1 0.693 31.1-157.3 -56.9 -20.5 22.9 59.9 79.1 18 20 A G - 0 0 29 1,-0.2 2,-1.3 3,-0.0 -1,-0.2 -0.469 62.8 -24.0 70.5-150.1 23.9 56.6 77.5 19 21 A Q S S+ 0 0 183 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.479 116.9 98.3 -95.6 66.5 21.0 54.9 75.7 20 22 A a S S- 0 0 10 -2,-1.3 2,-1.9 70,-0.1 42,-0.1 -0.974 73.5-132.4-152.5 130.7 18.4 56.7 77.8 21 23 A G B +j 62 0C 32 40,-1.4 42,-0.5 -2,-0.3 3,-0.3 -0.330 61.2 132.0 -82.4 58.1 16.3 59.8 77.0 22 24 A S >> + 0 0 0 -2,-1.9 4,-1.8 1,-0.2 3,-1.1 -0.005 15.0 130.3 -99.4 27.8 17.0 61.3 80.5 23 25 A C H 3> S+ 0 0 16 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.905 73.5 52.9 -44.8 -52.0 18.0 64.8 79.3 24 26 A W H 3> S+ 0 0 1 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.805 105.5 54.2 -57.4 -34.0 15.7 66.4 81.8 25 27 A A H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.939 111.3 43.5 -67.9 -46.7 17.2 64.4 84.7 26 28 A F H X S+ 0 0 19 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.919 112.9 53.5 -64.4 -42.7 20.8 65.6 83.9 27 29 A S H X S+ 0 0 4 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.960 111.7 44.7 -56.1 -53.9 19.5 69.1 83.3 28 30 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.912 113.7 50.6 -56.7 -46.0 17.8 69.2 86.8 29 31 A V H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 107.1 53.7 -60.6 -43.1 20.9 67.6 88.4 30 32 A G H X S+ 0 0 6 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.894 110.3 48.0 -59.0 -39.5 23.2 70.2 86.8 31 33 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.928 112.0 47.4 -67.2 -46.7 21.1 73.0 88.3 32 34 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.862 108.4 56.5 -62.6 -37.5 20.9 71.5 91.8 33 35 A E H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 105.5 52.0 -61.8 -40.3 24.7 70.9 91.7 34 36 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.912 111.3 45.1 -63.0 -43.3 25.1 74.6 91.0 35 37 A Q H X S+ 0 0 22 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.867 110.0 55.5 -68.9 -35.4 23.0 75.7 94.0 36 38 A L H X>S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 6,-0.7 0.884 110.3 45.8 -63.2 -39.7 24.7 73.1 96.2 37 39 A K H X5S+ 0 0 56 -4,-2.0 4,-2.0 3,-0.2 -2,-0.2 0.925 114.5 47.5 -67.9 -46.6 28.1 74.6 95.4 38 40 A K H <5S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 119.0 40.9 -60.9 -43.7 26.8 78.2 95.9 39 41 A K H <5S+ 0 0 124 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.856 135.1 11.6 -76.3 -37.5 25.2 77.2 99.2 40 42 A T H <5S- 0 0 74 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.603 91.2-117.6-119.7 -16.6 27.9 75.0 100.7 41 43 A G S < + 0 0 0 33,-2.1 4,-1.0 -2,-0.2 33,-0.2 -0.684 34.9 176.3 -89.2 107.9 22.1 61.4 91.0 48 50 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.818 86.7 61.5 -73.7 -25.7 20.2 61.6 87.7 49 51 A Q H > S+ 0 0 1 36,-0.5 4,-3.1 1,-0.2 5,-0.3 0.891 96.3 58.6 -64.7 -39.4 19.3 57.9 88.2 50 52 A N H > S+ 0 0 3 35,-0.4 4,-1.8 1,-0.2 5,-0.2 0.903 110.8 42.9 -56.7 -41.4 17.4 58.9 91.4 51 53 A L H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.938 113.1 51.0 -71.6 -46.8 15.2 61.2 89.4 52 54 A V H < S+ 0 0 1 -4,-2.7 8,-0.2 1,-0.2 -2,-0.2 0.953 117.4 39.5 -54.6 -52.4 14.8 58.7 86.5 53 55 A D H < S+ 0 0 13 -4,-3.1 41,-0.4 1,-0.1 -1,-0.2 0.813 127.8 31.1 -67.2 -33.1 13.7 56.0 88.9 54 56 A b H < S+ 0 0 6 -4,-1.8 2,-1.7 -5,-0.3 -3,-0.2 0.812 82.1 96.4-102.6 -33.7 11.6 58.1 91.2 55 57 A V >< - 0 0 8 -4,-2.8 3,-1.8 -5,-0.2 5,-0.4 -0.415 49.4-175.9 -64.9 89.8 10.0 61.1 89.5 56 58 A S T 3 S+ 0 0 107 -2,-1.7 -1,-0.2 1,-0.3 12,-0.0 0.799 76.4 62.8 -55.9 -35.6 6.6 59.4 88.9 57 59 A E T 3 S+ 0 0 145 11,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.632 100.9 64.7 -69.1 -12.8 5.2 62.4 87.0 58 60 A N S < S- 0 0 9 -3,-1.8 6,-0.2 -7,-0.2 3,-0.1 -0.495 86.0-119.4-103.9 177.0 7.9 61.9 84.3 59 61 A D > - 0 0 111 4,-2.4 3,-3.7 1,-0.3 4,-0.2 -0.138 36.1-141.4-108.1 37.2 8.5 59.1 81.8 60 62 A G T > S+ 0 0 0 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.157 85.6 5.2 44.3-114.3 12.0 58.1 83.0 61 63 A a T 3 S+ 0 0 36 1,-0.2 -40,-1.4 -3,-0.1 -1,-0.3 0.477 128.4 66.0 -77.2 -3.0 14.0 57.3 79.8 62 64 A G B < S-j 21 0C 66 -3,-3.7 -1,-0.2 1,-0.4 -2,-0.2 0.316 116.7 -73.4-101.7 9.0 11.1 58.4 77.6 63 65 A G < + 0 0 20 -3,-1.1 -4,-2.4 -42,-0.5 -1,-0.4 -0.459 53.2 176.1 122.4 164.3 11.1 62.1 78.5 64 66 A G - 0 0 23 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.1 -0.992 28.2 -89.7 178.0-177.1 10.2 64.4 81.3 65 67 A Y > - 0 0 131 -2,-0.3 4,-1.5 1,-0.1 -8,-0.1 -0.963 15.7-143.9-123.9 136.1 10.1 67.9 82.9 66 68 A M H > S+ 0 0 8 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.876 102.6 58.5 -61.6 -39.5 12.7 69.6 85.1 67 69 A T H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 104.0 50.0 -57.0 -49.0 9.9 71.3 87.1 68 70 A N H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 110.5 52.5 -57.1 -37.6 8.5 67.9 88.1 69 71 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.944 108.5 47.7 -63.9 -48.9 12.0 66.9 89.1 70 72 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 37,-0.3 0.855 111.5 52.4 -60.6 -35.1 12.5 69.9 91.3 71 73 A Q H X S+ 0 0 94 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.912 108.9 49.9 -66.9 -43.5 9.1 69.2 92.9 72 74 A Y H X S+ 0 0 43 -4,-2.2 4,-2.8 1,-0.2 6,-0.3 0.952 108.1 51.7 -60.3 -51.4 10.0 65.6 93.6 73 75 A V H <>S+ 0 0 1 -4,-2.5 5,-1.9 1,-0.2 32,-0.4 0.876 113.5 45.9 -55.5 -38.4 13.3 66.6 95.3 74 76 A Q H ><5S+ 0 0 90 -4,-1.6 3,-1.2 -5,-0.2 -1,-0.2 0.953 116.7 41.5 -69.2 -50.9 11.5 69.0 97.5 75 77 A K H 3<5S+ 0 0 181 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.777 114.1 55.7 -66.9 -26.1 8.6 66.7 98.5 76 78 A N T 3<5S- 0 0 69 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.450 109.2-121.2 -87.2 -3.0 11.1 63.8 98.8 77 79 A R T < 5S- 0 0 62 -3,-1.2 2,-0.2 -4,-0.3 -3,-0.2 0.675 75.6 -26.3 70.0 15.7 13.3 65.7 101.4 78 80 A G < - 0 0 2 -5,-1.9 2,-0.3 -6,-0.3 26,-0.2 -0.788 59.1 -97.4 142.7 175.8 16.2 65.3 99.0 79 81 A I E -L 103 0E 0 24,-1.6 23,-3.1 -2,-0.2 24,-1.5 -0.985 35.3-123.3-135.6 143.0 18.2 63.7 96.2 80 82 A D E -L 101 0E 11 -2,-0.3 -33,-2.1 21,-0.3 21,-0.2 -0.172 30.0-101.5 -78.0 177.8 21.1 61.3 96.6 81 83 A S B > -K 46 0D 22 19,-1.0 4,-2.2 -35,-0.3 3,-0.3 -0.607 30.2-109.2 -97.1 161.3 24.6 61.7 95.1 82 84 A E T 4 S+ 0 0 41 -37,-2.6 -36,-0.1 1,-0.2 5,-0.1 0.881 120.9 53.8 -56.6 -39.9 25.9 60.0 92.0 83 85 A D T 4 S+ 0 0 154 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.859 114.1 40.3 -64.5 -35.8 28.1 57.8 94.2 84 86 A A T 4 S+ 0 0 46 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.716 128.9 29.1 -85.5 -23.5 25.2 56.7 96.4 85 87 A Y S < S- 0 0 10 -4,-2.2 -36,-0.5 15,-0.1 -35,-0.4 -0.598 91.0-152.1-141.1 72.6 22.7 56.3 93.5 86 88 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.011 17.3-111.1 -46.5 141.5 24.7 55.3 90.4 87 89 A Y + 0 0 48 1,-0.1 -40,-0.0 -5,-0.1 -5,-0.0 -0.650 35.3 173.1 -80.4 131.2 23.6 56.1 86.9 88 90 A V - 0 0 66 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.346 42.6-122.4-121.1 3.6 22.7 52.9 84.9 89 91 A G S S+ 0 0 15 1,-0.1 2,-0.3 -71,-0.1 -70,-0.1 0.659 85.4 74.5 65.1 16.0 21.3 54.4 81.7 90 92 A Q S S- 0 0 115 -70,-0.1 2,-0.2 -72,-0.0 -2,-0.2 -0.971 87.0 -98.9-158.4 144.5 18.0 52.6 82.1 91 93 A E + 0 0 106 -2,-0.3 2,-0.2 -39,-0.1 -38,-0.1 -0.457 47.5 161.9 -71.0 130.7 14.9 53.1 84.3 92 94 A E - 0 0 77 -2,-0.2 3,-0.1 -43,-0.2 -1,-0.0 -0.680 44.8 -49.9-133.7-173.5 14.6 50.9 87.5 93 95 A S - 0 0 98 -2,-0.2 2,-0.6 1,-0.1 -40,-0.1 -0.331 62.4-103.3 -62.8 141.1 12.7 50.7 90.8 94 96 A b - 0 0 71 -41,-0.4 2,-0.4 -42,-0.1 -1,-0.1 -0.551 46.2-157.1 -66.5 114.5 12.8 53.8 92.9 95 97 A M - 0 0 98 -2,-0.6 2,-0.5 -3,-0.1 -41,-0.1 -0.819 6.8-143.6-102.1 139.2 15.4 52.8 95.5 96 98 A Y - 0 0 198 -2,-0.4 -2,-0.0 4,-0.0 -46,-0.0 -0.860 12.9-172.4-102.5 128.2 15.6 54.4 99.0 97 99 A N > - 0 0 30 -2,-0.5 3,-2.3 1,-0.1 4,-0.4 -0.928 13.4-156.1-124.7 106.2 19.0 55.0 100.5 98 100 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.812 97.0 33.7 -46.0 -41.7 19.0 56.2 104.2 99 101 A T T 3 S+ 0 0 143 1,-0.2 -15,-0.0 -15,-0.1 0, 0.0 0.079 98.3 91.2-106.5 24.5 22.4 57.8 104.0 100 102 A G < + 0 0 4 -3,-2.3 -19,-1.0 -20,-0.1 -16,-0.2 0.726 45.5 112.4 -95.0 -21.2 22.2 58.9 100.3 101 103 A K E +L 80 0E 127 -4,-0.4 -21,-0.3 -3,-0.3 3,-0.1 -0.319 27.0 164.6 -59.8 126.4 20.8 62.5 100.3 102 104 A A E + 0 0 16 -23,-3.1 2,-0.3 1,-0.2 -22,-0.2 0.499 62.5 20.7-116.6 -13.6 23.5 65.0 99.1 103 105 A A E -L 79 0E 7 -24,-1.5 -24,-1.6 -30,-0.0 2,-0.3 -0.965 62.6-144.4-151.7 166.4 21.3 68.0 98.3 104 106 A K - 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