==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-09 3H7D . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.M.CHERNEY,M.KIENETZ,D.BROMME,M.N.G.JAMES . 430 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 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 . 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 . 25 5.8 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 . 86 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 2 0 0 3 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 1 1 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 1 A A 0 0 61 0, 0.0 122,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 146.9 37.6 -3.6 101.6 2 2 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.160 360.0-111.4 -60.5 162.4 34.2 -4.7 100.1 3 3 A D S S+ 0 0 139 1,-0.2 2,-0.3 168,-0.0 0, 0.0 0.845 97.1 4.7 -67.8 -36.6 33.2 -8.4 100.3 4 4 A S - 0 0 75 166,-0.1 2,-0.3 2,-0.0 166,-0.2 -0.977 62.0-175.4-142.5 156.4 33.6 -8.7 96.5 5 5 A V E -A 169 0A 15 164,-2.0 164,-1.9 -2,-0.3 2,-0.3 -0.974 4.3-172.6-147.5 146.6 34.7 -6.6 93.6 6 6 A D E > -A 168 0A 20 -2,-0.3 3,-1.0 162,-0.2 4,-0.5 -0.872 6.4-168.8-141.5 106.9 34.7 -7.2 89.9 7 7 A Y G > >S+ 0 0 16 160,-2.8 5,-2.2 -2,-0.3 3,-0.7 0.744 85.9 68.5 -72.4 -22.0 36.4 -4.7 87.6 8 8 A R G > 5S+ 0 0 94 159,-0.3 3,-0.9 1,-0.2 -1,-0.3 0.863 97.7 55.0 -57.3 -36.1 34.9 -6.2 84.5 9 9 A E G < 5S+ 0 0 161 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.706 106.8 49.6 -72.2 -21.8 31.6 -4.9 85.8 10 10 A K G < 5S- 0 0 129 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.414 116.3-112.6 -94.5 -0.9 32.9 -1.4 86.1 11 11 A G T < 5S+ 0 0 27 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.744 80.6 125.0 74.7 24.6 34.4 -1.4 82.5 12 12 A Y < + 0 0 51 -5,-2.2 2,-0.4 155,-0.1 27,-0.2 0.357 56.8 75.9 -90.5 3.2 38.0 -1.3 83.6 13 13 A V - 0 0 21 -6,-0.4 3,-0.1 -5,-0.2 -2,-0.1 -0.968 67.5-145.7-128.7 129.3 39.0 -4.4 81.7 14 14 A T - 0 0 3 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.295 45.5 -71.2 -82.2 170.8 39.6 -4.9 78.0 15 15 A P - 0 0 84 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.181 60.4 -86.4 -66.2 160.7 38.7 -8.1 76.1 16 16 A V - 0 0 18 175,-0.2 170,-0.3 -3,-0.1 2,-0.2 -0.392 47.5-154.9 -66.1 131.9 40.6 -11.3 76.6 17 17 A K - 0 0 49 165,-0.4 168,-2.3 168,-0.2 2,-0.5 -0.592 11.9-129.3-104.8 172.4 43.7 -11.7 74.4 18 18 A N B -I 184 0B 100 166,-0.3 166,-0.2 -2,-0.2 165,-0.0 -0.948 10.8-166.0-124.4 110.2 45.6 -14.6 73.1 19 19 A Q > - 0 0 14 164,-3.0 3,-0.6 -2,-0.5 5,-0.1 0.672 25.6-153.6 -70.0 -16.5 49.4 -14.5 73.5 20 20 A G T 3 - 0 0 47 163,-0.3 -1,-0.2 1,-0.2 4,-0.1 -0.415 53.6 -41.0 68.9-153.4 50.1 -17.4 71.1 21 21 A Q T 3 S+ 0 0 205 70,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.605 105.3 109.4 -89.3 -13.4 53.3 -19.4 71.7 22 22 A a S < S- 0 0 7 -3,-0.6 2,-1.7 69,-0.2 3,-0.1 -0.340 78.3-122.2 -56.9 138.7 55.5 -16.4 72.5 23 23 A G S S+ 0 0 29 40,-1.6 42,-0.5 1,-0.2 3,-0.3 -0.361 73.3 123.8 -82.4 59.0 56.5 -16.3 76.2 24 24 A S >> + 0 0 0 -2,-1.7 4,-1.6 1,-0.2 3,-1.3 0.056 16.7 121.8-110.8 23.2 55.0 -12.9 76.7 25 25 A C H 3> S+ 0 0 19 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.874 75.0 60.3 -52.4 -34.2 52.5 -13.5 79.5 26 26 A W H 3> S+ 0 0 1 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.810 103.0 50.2 -66.1 -29.6 54.4 -10.8 81.4 27 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.862 111.4 46.7 -76.4 -39.4 53.5 -8.2 78.8 28 28 A F H X S+ 0 0 22 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.896 112.7 51.1 -70.2 -38.7 49.8 -9.0 78.7 29 29 A S H X S+ 0 0 4 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.894 111.4 48.2 -62.6 -42.4 49.8 -8.9 82.5 30 30 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.907 111.8 46.4 -65.0 -47.8 51.5 -5.5 82.5 31 31 A V H X S+ 0 0 5 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.861 107.6 59.7 -69.1 -32.5 49.2 -3.8 79.9 32 32 A G H X S+ 0 0 4 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.931 109.1 42.6 -55.0 -47.1 46.2 -5.3 81.7 33 33 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.895 115.5 48.5 -69.9 -39.8 47.2 -3.4 84.9 34 34 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.856 108.6 55.0 -65.0 -36.8 48.1 -0.2 83.0 35 35 A E H X S+ 0 0 7 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.868 106.6 51.9 -63.8 -38.2 44.7 -0.4 81.2 36 36 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.945 112.3 44.0 -62.3 -50.2 42.9 -0.5 84.5 37 37 A Q H X S+ 0 0 8 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.887 110.3 56.5 -63.7 -38.3 44.7 2.6 85.8 38 38 A L H X>S+ 0 0 9 -4,-2.5 4,-1.9 1,-0.2 5,-0.5 0.940 110.1 43.9 -58.7 -48.9 44.2 4.3 82.4 39 39 A K H X5S+ 0 0 58 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.916 112.8 52.6 -61.5 -43.7 40.4 3.9 82.6 40 40 A K H <5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.772 118.4 36.1 -63.6 -26.6 40.3 4.9 86.3 41 41 A K H <5S+ 0 0 94 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.663 134.4 19.0-103.0 -21.4 42.2 8.1 85.6 42 42 A T H <5S- 0 0 73 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.2 0.603 90.4-122.3-124.7 -24.9 40.8 9.1 82.2 43 43 A G S < - 0 0 0 33,-2.4 4,-0.9 -2,-0.2 3,-0.2 -0.694 28.8-176.4 -98.1 115.8 50.3 -2.7 73.3 50 50 A P H > S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.802 88.4 64.7 -70.9 -24.8 52.2 -5.8 74.7 51 51 A Q H > S+ 0 0 0 36,-0.4 4,-2.6 1,-0.2 5,-0.3 0.888 95.1 57.8 -63.0 -40.4 54.3 -5.8 71.5 52 52 A N H > S+ 0 0 0 35,-0.4 4,-1.5 -3,-0.2 -1,-0.2 0.892 112.1 41.8 -50.3 -44.2 55.8 -2.4 72.5 53 53 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.909 111.8 54.4 -74.1 -44.8 56.9 -4.1 75.8 54 54 A V H < S+ 0 0 6 -4,-2.9 8,-0.3 1,-0.2 -2,-0.2 0.927 118.2 33.6 -54.2 -48.9 58.1 -7.3 74.2 55 55 A D H < S+ 0 0 23 -4,-2.6 41,-0.3 1,-0.1 -1,-0.2 0.777 128.6 33.8 -80.1 -29.9 60.4 -5.5 71.7 56 56 A b H < S+ 0 0 13 -4,-1.5 2,-1.6 -5,-0.3 -3,-0.2 0.690 85.9 92.3-107.6 -22.2 61.5 -2.5 73.9 57 57 A V >< + 0 0 5 -4,-2.4 3,-1.4 -5,-0.2 5,-0.4 -0.582 50.6 178.4 -78.7 93.3 61.7 -3.7 77.5 58 58 A S T 3 S+ 0 0 116 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.0 0.634 71.3 68.7 -80.4 -11.8 65.4 -4.6 77.3 59 59 A E T 3 S+ 0 0 122 11,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.673 103.2 57.9 -72.8 -16.1 65.6 -5.6 81.0 60 60 A N S < S- 0 0 19 -3,-1.4 6,-0.2 -7,-0.2 5,-0.0 -0.374 89.6-119.9-100.9-174.9 63.4 -8.5 79.9 61 61 A D > - 0 0 103 4,-2.3 3,-2.4 1,-0.3 5,-0.1 -0.123 35.1-131.0-124.7 35.9 63.9 -11.2 77.3 62 62 A G G > S- 0 0 5 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.293 87.0 -1.3 57.8-123.8 61.1 -10.7 74.8 63 63 A a G 3 S+ 0 0 29 1,-0.3 -40,-1.6 -2,-0.1 -1,-0.3 0.518 126.3 72.6 -76.6 -6.4 59.3 -14.0 74.0 64 64 A G G < S- 0 0 54 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.262 113.8 -93.9 -91.4 8.9 61.8 -15.8 76.3 65 65 A G < - 0 0 23 -3,-1.1 -4,-2.3 -42,-0.5 -1,-0.3 -0.350 46.9-176.7 110.9 174.1 60.0 -14.3 79.3 66 66 A G - 0 0 27 -6,-0.2 2,-0.3 -5,-0.1 -6,-0.1 -0.987 26.1 -88.4 174.8-177.9 60.1 -11.3 81.7 67 67 A Y > - 0 0 135 -2,-0.3 4,-1.3 1,-0.1 -8,-0.1 -0.937 19.8-135.3-122.3 149.6 58.8 -9.5 84.7 68 68 A M H > S+ 0 0 5 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.840 105.0 58.1 -66.6 -38.9 56.0 -7.0 85.1 69 69 A T H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 105.3 51.1 -59.0 -47.3 58.0 -4.6 87.4 70 70 A N H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 109.3 52.2 -55.0 -40.1 60.6 -4.4 84.7 71 71 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.912 108.9 47.7 -63.9 -44.2 57.8 -3.5 82.2 72 72 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 37,-0.2 0.907 111.0 52.9 -64.1 -37.2 56.4 -0.7 84.5 73 73 A Q H X S+ 0 0 67 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.910 107.6 51.5 -65.0 -41.6 60.0 0.6 84.9 74 74 A Y H X S+ 0 0 31 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.961 108.7 49.7 -55.7 -53.4 60.4 0.7 81.1 75 75 A V H X>S+ 0 0 0 -4,-2.3 5,-1.4 1,-0.2 4,-0.7 0.881 112.3 49.0 -58.7 -37.2 57.1 2.7 80.6 76 76 A Q H ><5S+ 0 0 87 -4,-2.1 3,-0.9 2,-0.2 -1,-0.2 0.975 115.6 41.6 -64.6 -53.3 58.2 5.2 83.3 77 77 A K H 3<5S+ 0 0 185 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 116.1 49.7 -59.5 -43.7 61.7 5.7 81.8 78 78 A N H 3<5S- 0 0 48 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.584 106.0-130.1 -72.2 -14.3 60.4 5.8 78.2 79 79 A R T <<5S+ 0 0 179 -3,-0.9 2,-0.2 -4,-0.7 -3,-0.2 0.742 74.0 10.1 68.3 25.1 57.7 8.4 79.2 80 80 A G < - 0 0 0 -5,-1.4 2,-0.3 -6,-0.2 26,-0.2 -0.835 61.6-126.0 158.6 167.4 54.9 6.3 77.6 81 81 A I E -K 105 0D 0 24,-1.6 23,-3.1 -2,-0.2 24,-1.3 -0.988 31.4-118.4-136.9 143.2 53.6 3.2 76.0 82 82 A D E -K 103 0D 0 -2,-0.3 -33,-2.4 21,-0.3 21,-0.2 -0.295 26.6-110.1 -73.1 161.1 51.8 2.9 72.7 83 83 A S B > -J 48 0C 17 19,-1.6 4,-0.8 -35,-0.3 -35,-0.3 -0.516 31.9-107.7 -81.3 162.4 48.3 1.6 72.1 84 84 A E T 4 S+ 0 0 43 -37,-2.3 3,-0.3 1,-0.2 -36,-0.1 0.819 120.8 55.2 -58.4 -36.2 47.6 -1.7 70.4 85 85 A D T 4 S+ 0 0 135 -38,-0.5 -1,-0.2 1,-0.2 -37,-0.1 0.919 110.8 43.9 -63.6 -42.5 46.4 0.1 67.3 86 86 A A T 4 S+ 0 0 27 1,-0.2 -1,-0.2 16,-0.2 -2,-0.2 0.575 131.7 21.7 -80.0 -8.2 49.7 2.1 67.1 87 87 A Y S < S- 0 0 1 -4,-0.8 -35,-0.4 -3,-0.3 -36,-0.4 -0.468 86.5-153.7-160.9 76.1 51.8 -1.0 67.8 88 88 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.188 20.4-108.6 -70.7 143.3 50.1 -4.3 67.0 89 89 A Y + 0 0 48 1,-0.1 -5,-0.0 -5,-0.1 -40,-0.0 -0.489 37.7 167.8 -69.7 127.3 50.8 -7.7 68.6 90 90 A V - 0 0 48 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.429 45.4-123.6-118.9 -5.0 52.6 -10.1 66.3 91 91 A G S S+ 0 0 23 1,-0.1 2,-0.3 -71,-0.1 -69,-0.2 0.718 79.7 81.0 70.2 21.0 53.6 -12.7 68.8 92 92 A Q S S- 0 0 135 -70,-0.1 -2,-0.2 -71,-0.1 -1,-0.1 -0.987 86.3 -88.9-151.3 156.5 57.3 -12.6 68.0 93 93 A E + 0 0 104 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.1 -0.387 47.6 166.8 -66.2 135.1 60.3 -10.4 68.9 94 94 A E - 0 0 44 -43,-0.2 3,-0.1 -2,-0.1 -32,-0.0 -0.868 43.1 -78.9-134.8 170.5 61.1 -7.4 66.7 95 95 A S - 0 0 99 -2,-0.3 2,-0.3 1,-0.1 -39,-0.1 -0.315 64.8 -83.1 -64.0 156.2 63.4 -4.3 66.9 96 96 A b + 0 0 71 -41,-0.3 -1,-0.1 1,-0.1 -44,-0.1 -0.478 51.7 168.5 -65.1 126.2 62.0 -1.5 69.1 97 97 A M + 0 0 26 -2,-0.3 -1,-0.1 -3,-0.1 -45,-0.1 -0.091 12.8 160.3-131.0 32.1 59.6 0.6 67.0 98 98 A Y - 0 0 31 -46,-0.1 3,-0.1 1,-0.0 -11,-0.1 -0.312 20.2-165.4 -54.0 134.1 58.0 2.8 69.7 99 99 A N > - 0 0 11 1,-0.1 3,-2.1 -13,-0.1 -1,-0.0 -0.969 15.1-154.3-127.7 113.7 56.4 5.9 68.3 100 100 A P G > S+ 0 0 63 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.784 92.9 71.0 -58.5 -26.5 55.5 8.6 70.8 101 101 A T G 3 S+ 0 0 55 1,-0.3 202,-0.1 203,-0.1 -3,-0.0 0.784 99.7 47.7 -58.9 -28.0 52.9 9.8 68.5 102 102 A G G < S+ 0 0 14 -3,-2.1 -19,-1.6 -16,-0.1 -1,-0.3 0.195 82.0 141.6 -96.7 15.9 50.9 6.7 69.3 103 103 A K E < +K 82 0D 69 -3,-2.0 -21,-0.3 -21,-0.2 3,-0.1 -0.357 17.7 166.7 -66.1 131.1 51.4 7.1 73.1 104 104 A A E + 0 0 24 -23,-3.1 2,-0.3 1,-0.3 -22,-0.2 0.550 58.5 18.4-123.7 -14.5 48.3 6.1 75.1 105 105 A A E -K 81 0D 5 -24,-1.3 -24,-1.6 -30,-0.0 -1,-0.3 -0.993 55.5-154.0-153.0 160.0 49.5 5.8 78.7 106 106 A K - 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