==== 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 11-AUG-04 1U9W . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.W.COWAN-JACOB . 216 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 60.6 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 . 40 18.5 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 . 18 8.3 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 . 41 19.0 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 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 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 0 A R 0 0 287 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.5 29.8 25.2 5.1 2 1 A A - 0 0 25 1,-0.1 122,-0.1 2,-0.1 121,-0.0 -0.587 360.0-104.7 -74.6 135.8 33.5 25.5 4.0 3 2 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.187 20.1-118.1 -61.3 155.2 34.1 29.2 2.9 4 3 A D S S+ 0 0 132 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.789 96.0 10.9 -59.9 -32.3 34.4 30.2 -0.8 5 4 A S + 0 0 63 166,-0.1 2,-0.3 2,-0.0 166,-0.2 -0.992 60.5 175.9-149.4 149.2 38.0 31.3 -0.3 6 5 A V E -A 170 0A 18 164,-2.2 164,-2.6 -2,-0.3 2,-0.4 -0.949 4.5-175.4-156.0 136.9 40.7 31.0 2.3 7 6 A D E > -A 169 0A 23 -2,-0.3 3,-1.3 162,-0.2 4,-0.5 -0.885 9.3-164.6-137.2 101.3 44.3 32.2 2.1 8 7 A Y T 3 >S+ 0 0 12 160,-2.9 5,-1.9 -2,-0.4 6,-0.5 0.604 83.5 74.2 -66.0 -7.9 46.4 31.2 5.2 9 8 A R T > 5S+ 0 0 97 159,-0.3 3,-1.2 1,-0.2 -1,-0.3 0.900 94.9 53.1 -69.6 -35.4 49.1 33.7 4.2 10 9 A K T < 5S+ 0 0 173 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.665 106.4 53.1 -71.2 -19.5 46.7 36.5 5.3 11 10 A K T 3 5S- 0 0 129 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.404 115.0-112.3 -95.9 0.2 46.3 34.8 8.7 12 11 A G T < 5S+ 0 0 28 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.728 82.2 121.0 78.2 22.3 50.0 34.5 9.4 13 12 A Y < + 0 0 40 -5,-1.9 2,-0.5 155,-0.1 27,-0.2 0.454 56.3 77.2 -95.0 -5.5 50.2 30.7 9.2 14 13 A V - 0 0 21 -6,-0.5 3,-0.1 -5,-0.2 -2,-0.1 -0.931 67.0-146.8-118.9 126.1 52.7 30.6 6.4 15 14 A T - 0 0 4 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.230 44.4 -71.6 -76.2 169.3 56.5 31.2 6.7 16 15 A P - 0 0 88 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.233 59.5 -89.3 -62.7 153.7 58.5 32.8 3.8 17 16 A V - 0 0 23 175,-0.2 170,-0.2 -3,-0.1 2,-0.2 -0.353 48.1-157.3 -62.8 137.4 59.2 31.0 0.6 18 17 A K - 0 0 52 165,-0.4 168,-2.8 168,-0.2 2,-0.5 -0.631 12.8-129.3-111.8 172.3 62.4 28.9 0.7 19 18 A N B -I 185 0B 91 166,-0.3 166,-0.2 -2,-0.2 3,-0.1 -0.978 5.0-162.2-124.5 117.4 64.8 27.5 -2.0 20 19 A Q > - 0 0 13 164,-2.8 3,-1.0 -2,-0.5 2,-0.2 0.620 32.8-162.1 -73.6 -8.1 65.7 23.8 -1.7 21 20 A G T 3 - 0 0 42 163,-0.3 -1,-0.2 1,-0.2 71,-0.1 -0.426 57.8 -15.9 69.5-135.9 68.6 24.6 -4.0 22 21 A Q T 3 S+ 0 0 200 70,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.075 114.8 95.0 -92.1 19.7 70.3 21.7 -5.8 23 22 A a S < S- 0 0 3 -3,-1.0 2,-2.1 70,-0.1 42,-0.1 -0.953 74.4-135.2-117.6 132.9 68.7 19.1 -3.6 24 23 A G + 0 0 31 40,-1.3 42,-0.4 -2,-0.4 3,-0.3 -0.427 61.7 130.3 -83.1 63.7 65.5 17.3 -4.6 25 24 A S >> + 0 0 0 -2,-2.1 4,-1.8 1,-0.2 3,-1.3 -0.066 14.1 128.8-108.0 31.3 64.1 17.8 -1.1 26 25 A C H 3> S+ 0 0 16 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.891 71.8 58.8 -51.6 -44.1 60.7 19.1 -2.0 27 26 A W H 3> S+ 0 0 0 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.785 104.8 51.1 -57.1 -30.8 59.0 16.5 0.3 28 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.901 112.7 44.2 -74.7 -42.1 61.0 17.9 3.2 29 28 A F H X S+ 0 0 20 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.910 113.5 50.0 -68.9 -41.3 59.9 21.5 2.5 30 29 A S H X S+ 0 0 3 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.901 112.7 50.0 -60.4 -42.5 56.2 20.5 1.9 31 30 A S H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.941 110.9 45.2 -64.3 -50.5 56.3 18.6 5.2 32 31 A V H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.878 109.1 59.5 -65.5 -30.4 57.8 21.4 7.4 33 32 A G H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.910 106.2 45.7 -61.6 -41.6 55.3 23.8 5.8 34 33 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.915 113.6 50.4 -68.6 -38.0 52.4 21.7 7.0 35 34 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.839 106.5 54.9 -67.8 -32.0 54.0 21.5 10.4 36 35 A E H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.899 107.3 50.5 -69.4 -36.4 54.5 25.2 10.5 37 36 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.945 113.9 44.2 -64.1 -46.1 50.9 25.8 9.9 38 37 A Q H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.880 111.5 52.9 -67.8 -36.4 49.9 23.4 12.7 39 38 A L H X>S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 5,-0.5 0.898 111.1 47.5 -64.7 -38.6 52.5 24.8 15.1 40 39 A K H X5S+ 0 0 55 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.906 111.2 51.5 -69.0 -38.5 51.1 28.3 14.5 41 40 A K H <5S+ 0 0 95 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.866 118.4 36.4 -66.7 -34.8 47.5 27.1 15.0 42 41 A K H <5S+ 0 0 144 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.870 132.3 21.3 -87.9 -35.9 48.3 25.4 18.3 43 42 A T H <5S- 0 0 62 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.657 91.0-122.6-110.0 -19.7 50.8 27.8 19.8 44 43 A G S < + 0 0 0 33,-2.3 4,-0.9 1,-0.2 33,-0.2 -0.698 34.5 174.5 -94.5 104.6 64.0 22.3 9.7 51 50 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.866 87.2 59.6 -69.7 -30.1 63.8 20.6 6.3 52 51 A Q H > S+ 0 0 1 36,-0.4 4,-2.9 1,-0.2 5,-0.3 0.859 95.7 61.7 -63.1 -34.7 67.5 19.5 6.8 53 52 A N H > S+ 0 0 6 35,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.914 111.5 39.2 -56.1 -43.3 66.5 17.6 9.9 54 53 A L H X S+ 0 0 0 -4,-0.9 4,-3.0 -3,-0.3 -2,-0.2 0.911 113.1 53.3 -75.2 -44.6 64.2 15.5 7.7 55 54 A V H < S+ 0 0 7 -4,-2.7 -2,-0.2 1,-0.2 8,-0.2 0.945 117.2 39.0 -55.0 -48.7 66.6 15.2 4.8 56 55 A D H < S+ 0 0 19 -4,-2.9 41,-0.3 1,-0.2 -1,-0.2 0.813 127.0 33.2 -72.1 -33.6 69.4 13.9 7.0 57 56 A b H < S+ 0 0 13 -4,-1.7 2,-2.0 -5,-0.3 -2,-0.2 0.670 82.8 94.3-104.5 -16.5 67.2 11.7 9.3 58 57 A V >< - 0 0 7 -4,-3.0 3,-2.4 1,-0.2 5,-0.4 -0.564 48.2-179.0 -81.9 88.7 64.3 10.2 7.4 59 58 A S T 3 S+ 0 0 113 -2,-2.0 -1,-0.2 1,-0.3 -4,-0.0 0.769 77.2 62.2 -56.7 -30.0 66.0 6.9 6.6 60 59 A E T 3 S+ 0 0 136 -3,-0.2 -1,-0.3 11,-0.1 2,-0.2 0.557 100.6 64.4 -75.8 -8.3 62.9 5.7 4.8 61 60 A N S < S- 0 0 11 -3,-2.4 6,-0.2 -7,-0.2 3,-0.1 -0.489 87.5-117.0-106.3-178.3 63.2 8.6 2.3 62 61 A D > - 0 0 114 4,-2.6 3,-3.3 1,-0.3 5,-0.1 -0.000 34.3-141.0-110.4 30.5 65.9 9.3 -0.3 63 62 A G G > S+ 0 0 4 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.260 86.8 2.6 54.8-117.0 67.3 12.7 0.9 64 63 A a G 3 S+ 0 0 30 1,-0.2 -40,-1.3 -2,-0.1 -1,-0.3 0.497 128.5 70.5 -79.1 -1.4 68.0 14.8 -2.1 65 64 A G G < S- 0 0 59 -3,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.518 113.0 -88.8 -93.5 -4.8 66.6 12.0 -4.2 66 65 A G < - 0 0 18 -3,-1.1 -4,-2.6 -42,-0.4 -1,-0.3 -0.456 47.5-179.0 119.7 165.9 63.0 12.4 -3.2 67 66 A G - 0 0 25 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.1 -0.982 29.4 -83.8 179.3-178.9 60.7 11.1 -0.5 68 67 A Y > - 0 0 133 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.873 19.3-140.2-111.5 145.4 57.2 11.0 0.9 69 68 A M H > S+ 0 0 7 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.875 103.3 59.2 -68.2 -35.7 55.6 13.5 3.3 70 69 A T H > S+ 0 0 25 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.916 103.8 51.5 -60.4 -40.5 53.9 10.7 5.3 71 70 A N H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 109.8 50.4 -60.0 -42.3 57.3 9.1 6.0 72 71 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.916 111.0 47.5 -65.7 -41.5 58.5 12.5 7.3 73 72 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.933 111.3 51.6 -66.6 -41.3 55.4 12.9 9.5 74 73 A Q H X S+ 0 0 77 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.932 109.4 51.4 -58.9 -44.1 55.9 9.4 10.9 75 74 A Y H X S+ 0 0 48 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.926 108.1 49.2 -58.9 -48.4 59.5 10.2 11.6 76 75 A V H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 32,-0.4 0.880 114.0 48.3 -61.7 -35.5 58.7 13.4 13.6 77 76 A Q H ><5S+ 0 0 88 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.962 115.9 41.0 -68.8 -51.6 56.1 11.5 15.6 78 77 A K H 3<5S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.867 117.0 49.7 -63.6 -36.3 58.4 8.5 16.4 79 78 A N T 3<5S- 0 0 64 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.447 107.5-127.6 -83.4 -0.6 61.4 10.8 17.0 80 79 A R T < 5S+ 0 0 191 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.868 71.9 5.6 56.1 43.0 59.3 13.0 19.3 81 80 A G < - 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0 0 85 -2,-0.2 2,-0.1 -43,-0.2 3,-0.0 -0.756 45.7 -57.7-138.5-176.6 74.7 14.6 5.8 96 95 A S - 0 0 96 -2,-0.2 2,-0.8 1,-0.1 -39,-0.1 -0.374 61.1-101.2 -67.7 147.7 74.8 12.6 8.9 97 96 A b - 0 0 72 -41,-0.3 2,-0.2 -42,-0.1 -1,-0.1 -0.613 46.3-155.1 -71.0 105.7 71.7 12.9 11.1 98 97 A M - 0 0 81 -2,-0.8 2,-0.5 -3,-0.0 -41,-0.0 -0.603 6.2-140.9 -89.2 148.0 72.9 15.3 13.8 99 98 A Y - 0 0 178 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.931 12.0-168.7-109.3 122.6 71.4 15.4 17.3 100 99 A N > - 0 0 47 -2,-0.5 3,-1.6 1,-0.1 4,-0.4 -0.951 12.9-153.1-111.4 109.6 70.9 18.8 18.9 101 100 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.730 96.4 30.6 -53.9 -23.1 70.1 18.4 22.6 102 101 A T T 3 S+ 0 0 136 1,-0.1 -15,-0.0 -15,-0.1 -3,-0.0 0.207 92.3 95.5-124.3 17.9 68.2 21.7 22.5 103 102 A G < + 0 0 4 -3,-1.6 -19,-1.2 -16,-0.1 -16,-0.2 0.686 46.5 124.7 -84.1 -17.2 66.9 22.0 19.0 104 103 A K E +K 83 0D 83 -4,-0.4 -21,-0.3 -21,-0.2 3,-0.1 -0.199 19.4 154.7 -53.9 122.4 63.4 20.6 19.5 105 104 A A E + 0 0 31 -23,-2.8 2,-0.3 1,-0.3 -22,-0.2 0.587 58.8 14.5-122.9 -25.3 60.7 23.0 18.2 106 105 A A E -K 82 0D 7 -24,-1.4 -24,-1.5 -30,-0.0 -1,-0.3 -0.991 56.6-151.4-151.3 158.4 57.6 21.0 17.3 107 106 A K - 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