==== 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 1U9V . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.W.COWAN-JACOB . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 60.0 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 . 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 . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.0 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 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 . 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 . 5 1 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 . 0 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 88 0, 0.0 122,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 138.1 33.2 25.1 4.3 2 2 A P - 0 0 69 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.121 360.0-122.7 -63.8 161.7 33.7 28.6 2.9 3 3 A D S S+ 0 0 139 1,-0.2 2,-0.3 168,-0.0 0, 0.0 0.825 98.5 25.6 -67.0 -36.7 33.8 29.5 -0.8 4 4 A S + 0 0 71 166,-0.1 2,-0.3 164,-0.0 166,-0.2 -0.990 61.4 174.4-136.4 142.1 37.2 31.0 -0.4 5 5 A V E +A 169 0A 20 164,-2.5 164,-2.1 -2,-0.3 2,-0.4 -0.975 0.5 175.3-147.3 128.1 40.1 30.4 2.1 6 6 A D E >> -A 168 0A 26 -2,-0.3 3,-1.4 162,-0.2 4,-0.6 -0.832 11.0-170.4-139.3 100.7 43.6 32.0 1.8 7 7 A Y T 34>S+ 0 0 8 160,-2.7 5,-2.3 -2,-0.4 4,-0.4 0.646 82.2 72.2 -66.9 -12.8 46.0 31.2 4.7 8 8 A R T >45S+ 0 0 99 159,-0.3 3,-0.6 1,-0.2 -1,-0.3 0.866 96.0 53.0 -68.6 -31.6 48.5 33.8 3.5 9 9 A K T <45S+ 0 0 176 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.712 107.1 50.9 -73.2 -24.2 46.1 36.5 4.7 10 10 A K T 3<5S- 0 0 127 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.461 117.0-111.0 -90.4 -6.2 45.8 35.0 8.2 11 11 A G T < 5S+ 0 0 29 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.793 80.9 126.0 81.6 28.7 49.6 34.9 8.6 12 12 A Y < + 0 0 48 -5,-2.3 2,-0.4 155,-0.1 -4,-0.2 0.347 54.1 74.6-101.1 7.0 49.8 31.0 8.5 13 13 A V - 0 0 20 -6,-0.4 3,-0.1 -5,-0.2 32,-0.1 -0.975 69.2-141.0-127.1 129.4 52.3 30.8 5.7 14 14 A T - 0 0 3 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.308 44.3 -71.8 -79.9 165.4 56.1 31.5 5.8 15 15 A P - 0 0 81 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.183 60.1 -91.1 -55.2 150.2 58.0 33.2 2.9 16 16 A V - 0 0 16 175,-0.2 170,-0.2 -3,-0.1 2,-0.2 -0.347 48.1-157.8 -62.9 137.0 58.6 31.3 -0.3 17 17 A K - 0 0 52 165,-0.5 168,-2.8 168,-0.2 2,-0.5 -0.650 14.0-127.8-112.2 176.5 61.9 29.3 -0.3 18 18 A N B -I 184 0B 92 166,-0.3 166,-0.2 -2,-0.2 3,-0.1 -0.977 4.6-155.7-125.7 115.2 64.2 27.9 -3.0 19 19 A Q > - 0 0 17 164,-2.7 3,-0.6 -2,-0.5 5,-0.2 0.562 34.1-160.5 -68.5 -4.5 65.2 24.2 -2.7 20 20 A G T 3 - 0 0 47 1,-0.2 -1,-0.2 163,-0.2 71,-0.1 -0.355 56.2 -14.7 67.9-138.3 68.3 25.1 -4.7 21 21 A Q T 3 S+ 0 0 198 70,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.138 115.5 90.1 -95.3 38.3 70.2 22.3 -6.5 22 22 A a S < S- 0 0 9 -3,-0.6 2,-1.3 70,-0.1 42,-0.1 -0.981 76.4-129.7-138.2 142.8 68.5 19.5 -4.6 23 23 A G + 0 0 29 40,-1.5 42,-0.4 -2,-0.3 3,-0.3 -0.372 65.1 126.8 -89.6 59.8 65.3 17.5 -5.3 24 24 A S >> + 0 0 0 -2,-1.3 4,-1.8 1,-0.2 3,-1.3 -0.027 17.0 128.0-103.2 25.9 63.9 18.1 -1.8 25 25 A C H 3> S+ 0 0 18 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.892 72.8 57.9 -49.5 -40.4 60.5 19.4 -2.9 26 26 A W H 3> S+ 0 0 0 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.785 103.0 51.8 -61.5 -32.5 58.9 16.9 -0.5 27 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.888 110.9 47.4 -72.7 -40.7 60.8 18.3 2.5 28 28 A F H X S+ 0 0 20 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.901 111.0 51.0 -67.1 -37.5 59.6 21.8 1.8 29 29 A S H X S+ 0 0 4 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.891 112.3 48.5 -64.6 -41.3 56.0 20.6 1.3 30 30 A S H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 3,-0.2 0.941 111.5 46.7 -66.7 -48.2 56.2 18.8 4.7 31 31 A V H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.895 107.3 59.2 -64.7 -34.2 57.6 21.6 6.7 32 32 A G H X S+ 0 0 4 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.888 107.6 45.3 -59.6 -38.9 55.1 24.1 5.1 33 33 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.2 -1,-0.2 0.882 113.1 49.8 -73.0 -37.7 52.2 22.0 6.5 34 34 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.881 107.9 54.8 -68.1 -34.8 53.9 21.7 9.9 35 35 A E H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.888 105.8 53.2 -63.7 -39.0 54.5 25.5 10.0 36 36 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.926 111.4 44.2 -61.9 -47.4 50.8 26.0 9.4 37 37 A Q H X S+ 0 0 21 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.882 111.3 53.5 -66.4 -40.0 49.8 23.8 12.4 38 38 A L H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 6,-0.5 0.919 111.0 46.7 -61.0 -42.1 52.4 25.3 14.7 39 39 A K H X S+ 0 0 48 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.931 111.0 52.5 -64.5 -45.0 51.1 28.7 13.9 40 40 A K H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.9 39.5 -57.6 -44.5 47.5 27.5 14.5 41 41 A K H < S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.765 133.3 16.6 -79.5 -25.6 48.4 26.1 17.9 42 42 A T H < S- 0 0 75 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.673 90.4-119.2-123.4 -22.6 50.7 28.8 19.3 43 43 A G S < S+ 0 0 43 -4,-2.3 2,-0.4 -5,-0.5 -4,-0.2 0.289 74.8 117.4 95.8 -11.2 50.4 31.9 17.3 44 44 A K - 0 0 130 -6,-0.5 2,-0.6 -5,-0.1 -1,-0.3 -0.795 52.6-152.3 -98.6 138.4 54.0 31.9 16.2 45 45 A L + 0 0 73 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.936 29.4 166.1-104.2 116.1 55.0 31.7 12.5 46 46 A L - 0 0 52 -2,-0.6 2,-0.6 -11,-0.2 -32,-0.1 -0.967 40.9-115.5-134.5 145.2 58.5 30.1 12.3 47 47 A N - 0 0 56 -2,-0.3 37,-3.0 -12,-0.0 38,-0.4 -0.716 35.6-155.8 -79.1 119.2 60.6 28.5 9.5 48 48 A L B -J 83 0C 2 -2,-0.6 35,-0.3 35,-0.3 -17,-0.1 -0.486 27.5 -88.2 -90.8 167.6 61.0 24.8 10.3 49 49 A S > + 0 0 0 33,-2.8 4,-1.1 1,-0.2 33,-0.2 -0.649 36.1 173.2 -87.7 100.4 64.0 22.7 9.0 50 50 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.887 87.6 60.8 -66.0 -33.4 63.7 21.0 5.6 51 51 A Q H > S+ 0 0 1 36,-0.4 4,-2.7 1,-0.2 5,-0.3 0.905 95.9 59.3 -58.3 -39.0 67.4 20.1 6.0 52 52 A N H > S+ 0 0 4 35,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.919 111.8 41.3 -54.2 -43.3 66.6 18.1 9.2 53 53 A L H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.4 -2,-0.2 0.910 111.7 53.3 -73.7 -41.9 64.3 16.0 7.0 54 54 A V H < S+ 0 0 5 -4,-2.5 8,-0.2 1,-0.2 -2,-0.2 0.953 116.1 40.0 -57.4 -51.0 66.6 15.7 4.0 55 55 A D H < S+ 0 0 19 -4,-2.7 41,-0.4 -5,-0.2 -1,-0.2 0.838 126.8 30.5 -67.9 -37.2 69.5 14.4 6.3 56 56 A b H < S+ 0 0 13 -4,-1.8 2,-1.9 -5,-0.3 -2,-0.2 0.657 82.9 94.3-105.4 -18.3 67.4 12.1 8.6 57 57 A V >< + 0 0 6 -4,-2.6 3,-1.8 1,-0.2 5,-0.4 -0.572 49.1 178.8 -77.3 90.9 64.4 10.6 6.9 58 58 A S T 3 S+ 0 0 107 -2,-1.9 -1,-0.2 1,-0.3 -4,-0.0 0.742 74.1 65.3 -67.0 -21.6 66.2 7.4 6.0 59 59 A E T 3 S+ 0 0 152 -3,-0.2 -1,-0.3 11,-0.1 2,-0.2 0.630 101.9 62.0 -73.9 -12.4 63.1 5.9 4.4 60 60 A N S < S- 0 0 10 -3,-1.8 6,-0.2 -7,-0.2 5,-0.0 -0.519 89.7-116.3-104.9 179.7 63.3 8.7 1.8 61 61 A D > - 0 0 118 4,-2.1 3,-3.1 1,-0.3 5,-0.1 -0.082 33.5-139.5-110.7 34.3 66.0 9.5 -0.7 62 62 A G G > S+ 0 0 3 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.241 85.5 0.5 51.1-118.8 67.3 12.9 0.3 63 63 A a G 3 S+ 0 0 30 1,-0.2 -40,-1.5 -39,-0.1 -1,-0.3 0.430 128.4 69.5 -80.7 0.0 67.9 15.1 -2.7 64 64 A G G < S- 0 0 63 -3,-3.1 -1,-0.2 1,-0.4 -2,-0.2 0.313 115.0 -86.1 -99.9 5.6 66.7 12.2 -4.9 65 65 A G < - 0 0 20 -3,-1.1 -4,-2.1 -42,-0.4 -1,-0.4 -0.431 48.7-178.3 116.0 169.2 63.1 12.5 -3.8 66 66 A G - 0 0 25 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.1 -0.962 28.4 -85.0 173.0 175.0 60.8 11.2 -1.0 67 67 A Y > - 0 0 136 -2,-0.3 4,-1.3 1,-0.1 -8,-0.0 -0.839 16.8-142.1-108.7 145.4 57.3 11.1 0.4 68 68 A M H > S+ 0 0 8 -2,-0.4 4,-2.2 2,-0.2 5,-0.2 0.868 102.3 59.7 -69.3 -37.7 55.7 13.6 2.8 69 69 A T H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 104.8 50.9 -57.7 -42.9 53.9 10.8 4.8 70 70 A N H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 108.6 52.1 -59.5 -41.0 57.4 9.4 5.6 71 71 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.892 108.8 48.9 -64.2 -40.5 58.5 12.8 6.8 72 72 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 37,-0.3 0.887 111.0 51.2 -67.4 -36.7 55.5 13.2 9.1 73 73 A Q H X S+ 0 0 105 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.905 108.5 51.7 -66.8 -38.8 56.1 9.8 10.6 74 74 A Y H X S+ 0 0 46 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.912 108.8 49.6 -63.8 -42.2 59.7 10.6 11.2 75 75 A V H X>S+ 0 0 1 -4,-1.9 5,-2.7 2,-0.2 4,-0.5 0.909 112.1 49.5 -63.9 -39.7 58.8 13.8 13.1 76 76 A Q H ><5S+ 0 0 78 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.952 115.7 40.9 -62.4 -50.9 56.3 11.9 15.2 77 77 A K H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.718 115.5 51.4 -73.5 -20.2 58.7 9.1 16.2 78 78 A N H 3<5S- 0 0 60 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.471 111.3-117.4 -95.7 -3.2 61.7 11.4 16.7 79 79 A R T <<5S- 0 0 182 -3,-0.8 24,-0.2 -4,-0.5 -3,-0.2 0.884 73.4 -24.0 71.2 37.8 59.8 13.8 19.0 80 80 A G < - 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0 0 92 -2,-0.3 2,-0.1 -43,-0.2 3,-0.0 -0.723 45.1 -65.4-131.8 179.9 74.7 15.4 5.0 95 95 A S - 0 0 102 -2,-0.2 2,-0.6 1,-0.1 -39,-0.1 -0.433 62.8 -94.6 -71.6 149.9 74.8 13.2 8.0 96 96 A b - 0 0 70 -41,-0.4 2,-0.2 -2,-0.1 -1,-0.1 -0.537 44.8-149.7 -68.5 112.5 71.8 13.4 10.3 97 97 A M - 0 0 86 -2,-0.6 2,-0.6 -3,-0.0 -41,-0.0 -0.594 1.3-144.4 -87.5 143.3 72.8 15.9 13.0 98 98 A Y - 0 0 178 -2,-0.2 3,-0.1 2,-0.0 -2,-0.0 -0.941 7.9-164.9-112.2 120.1 71.4 15.7 16.6 99 99 A N - 0 0 35 -2,-0.6 -13,-0.0 1,-0.1 -12,-0.0 -0.915 8.7-157.1-106.4 109.3 70.7 19.0 18.4 100 100 A P + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.714 68.4 96.0 -56.4 -22.8 70.3 18.2 22.1 101 101 A T S S- 0 0 101 1,-0.2 2,-0.1 -15,-0.1 -2,-0.1 0.143 93.1 -70.6 -57.5 179.0 68.3 21.4 22.4 102 102 A G - 0 0 57 1,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.412 47.8-115.9 -76.3 153.0 64.5 21.4 22.2 103 103 A K - 0 0 44 -24,-0.2 -21,-0.2 1,-0.1 3,-0.1 -0.571 16.0-135.5 -83.0 154.8 62.7 20.7 19.0 104 104 A A S S+ 0 0 32 -23,-1.7 2,-0.3 -2,-0.2 -22,-0.2 0.727 79.4 13.1 -85.2 -22.7 60.7 23.6 17.5 105 105 A A B -K 81 0D 6 -24,-1.3 -24,-1.5 -26,-0.0 2,-0.3 -0.994 60.5-161.3-151.8 157.2 57.6 21.6 16.6 106 106 A K - 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