==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-AUG-03 1Q6K . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.G.CATALANO,D.N.DEATON,E.S.FURFINE,A.M.HASSELL, . 216 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 59.3 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 18.5 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 . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 19.4 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 0 1 2 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 0 143 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 138.1 89.6 16.8 154.3 2 2 A P - 0 0 106 0, 0.0 169,-0.1 0, 0.0 0, 0.0 -0.319 360.0 -98.1 -61.8 141.2 86.7 15.2 152.3 3 3 A D + 0 0 98 167,-0.1 2,-0.3 -2,-0.0 0, 0.0 -0.298 59.5 145.8 -57.7 139.0 85.7 11.6 153.1 4 4 A S - 0 0 77 -3,-0.1 2,-0.3 166,-0.1 166,-0.2 -0.923 22.3-174.3-173.0 149.6 87.2 9.1 150.7 5 5 A V E -A 169 0A 32 164,-2.2 164,-2.3 -2,-0.3 2,-0.4 -0.984 10.1-168.3-153.3 141.9 88.5 5.6 150.7 6 6 A D E >> -A 168 0A 21 -2,-0.3 3,-1.4 162,-0.2 4,-0.6 -0.868 4.4-168.8-134.2 98.6 90.2 3.3 148.1 7 7 A Y T 34>S+ 0 0 12 160,-2.5 5,-2.1 -2,-0.4 6,-0.5 0.575 81.1 73.6 -65.8 -10.0 90.3 -0.3 149.3 8 8 A R T >45S+ 0 0 94 159,-0.2 3,-1.1 1,-0.2 -1,-0.3 0.876 95.5 52.8 -71.0 -34.2 92.7 -1.3 146.5 9 9 A K T <45S+ 0 0 173 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.793 106.1 54.1 -68.8 -28.3 95.4 0.6 148.5 10 10 A K T 3<5S- 0 0 111 -4,-0.6 -1,-0.2 1,-0.0 -2,-0.2 0.393 116.6-109.5 -88.8 2.5 94.6 -1.4 151.6 11 11 A G T < 5S+ 0 0 35 -3,-1.1 34,-0.2 -4,-0.2 -3,-0.2 0.644 85.5 119.8 79.6 17.3 95.1 -4.8 150.0 12 12 A Y < + 0 0 27 -5,-2.1 2,-0.4 155,-0.1 -4,-0.2 0.463 59.6 72.4 -89.5 -7.4 91.3 -5.6 150.1 13 13 A V - 0 0 22 -6,-0.5 3,-0.1 -5,-0.2 32,-0.1 -0.932 67.0-150.4-118.0 133.3 91.0 -6.0 146.3 14 14 A T - 0 0 5 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.427 44.9 -69.0 -88.6 172.9 92.3 -8.8 144.1 15 15 A P - 0 0 78 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.219 62.6 -89.7 -61.6 153.9 93.3 -8.4 140.4 16 16 A V - 0 0 15 175,-0.2 170,-0.3 -3,-0.1 2,-0.2 -0.446 46.2-150.6 -67.0 132.5 90.6 -7.6 137.9 17 17 A K - 0 0 45 165,-0.4 168,-2.6 168,-0.2 2,-0.5 -0.521 6.6-130.6-101.9 171.5 89.0 -10.7 136.3 18 18 A N B -I 184 0B 95 166,-0.3 166,-0.2 -2,-0.2 73,-0.0 -0.976 3.5-158.1-128.5 118.9 87.4 -11.4 132.9 19 19 A Q - 0 0 12 164,-2.4 165,-0.1 -2,-0.5 -1,-0.1 0.769 26.1-164.1 -62.4 -31.6 84.0 -13.1 132.6 20 20 A G - 0 0 52 163,-0.2 2,-1.7 1,-0.2 -1,-0.2 -0.450 62.8 -18.2 74.8-152.1 84.7 -14.3 129.1 21 21 A Q S S+ 0 0 198 -2,-0.1 2,-0.3 70,-0.1 -1,-0.2 -0.447 114.8 95.9 -90.7 67.3 81.5 -15.4 127.2 22 22 A a S S- 0 0 10 -2,-1.7 2,-1.6 195,-0.1 3,-0.1 -0.979 75.6-129.1-154.4 133.9 79.4 -15.9 130.3 23 23 A G B +j 64 0C 10 40,-1.5 42,-0.6 -2,-0.3 3,-0.3 -0.324 65.9 128.3 -82.3 57.9 76.9 -13.6 132.1 24 24 A S >> + 0 0 0 -2,-1.6 4,-1.8 1,-0.2 3,-0.9 0.124 17.2 120.6-100.3 19.3 78.6 -14.2 135.4 25 25 A C H 3> S+ 0 0 0 192,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.882 75.7 57.9 -49.7 -42.1 79.2 -10.6 136.5 26 26 A W H 3> S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.886 104.0 51.4 -55.4 -41.6 77.1 -11.4 139.6 27 27 A A H <> S+ 0 0 0 -3,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.905 111.6 46.4 -65.6 -41.6 79.5 -14.2 140.6 28 28 A F H X S+ 0 0 21 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.866 111.3 51.7 -69.9 -34.3 82.5 -11.9 140.3 29 29 A S H X S+ 0 0 3 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.941 113.3 45.3 -65.7 -45.9 80.8 -9.2 142.3 30 30 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.940 113.9 47.7 -61.4 -52.1 79.9 -11.6 145.1 31 31 A V H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.910 110.0 54.5 -58.0 -41.2 83.4 -13.2 145.1 32 32 A G H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.869 109.4 46.4 -62.1 -39.1 84.9 -9.7 145.2 33 33 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.915 112.7 50.0 -69.6 -41.5 82.8 -8.7 148.2 34 34 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.891 109.4 52.3 -62.9 -40.1 83.8 -12.0 150.0 35 35 A E H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.913 106.6 52.6 -62.2 -44.1 87.5 -11.4 149.2 36 36 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.887 110.6 47.8 -60.3 -38.7 87.3 -7.9 150.7 37 37 A Q H X S+ 0 0 5 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.783 106.3 57.3 -72.8 -28.9 85.8 -9.4 153.9 38 38 A L H X>S+ 0 0 18 -4,-1.7 4,-2.9 2,-0.2 6,-0.6 0.950 110.0 44.6 -65.9 -47.5 88.5 -12.1 154.1 39 39 A K H X5S+ 0 0 58 -4,-2.2 4,-2.3 4,-0.2 -2,-0.2 0.953 115.5 48.7 -60.4 -49.3 91.1 -9.4 154.1 40 40 A K H <5S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.942 120.3 34.9 -55.5 -52.5 89.2 -7.4 156.7 41 41 A K H <5S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 133.2 22.7 -76.9 -32.8 88.6 -10.3 159.0 42 42 A T H <5S- 0 0 75 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.530 97.9-116.4-114.1 -10.6 91.8 -12.3 158.7 43 43 A G S < + 0 0 0 33,-2.4 4,-1.1 -2,-0.2 33,-0.2 -0.689 35.1 173.9 -88.4 102.7 85.9 -19.1 143.0 50 50 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.830 87.2 60.2 -70.3 -28.1 83.3 -17.4 140.8 51 51 A Q H > S+ 0 0 0 36,-0.4 4,-2.8 1,-0.2 5,-0.3 0.884 97.1 58.9 -63.7 -39.2 82.9 -20.8 139.0 52 52 A N H > S+ 0 0 0 35,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.908 111.4 41.8 -56.4 -42.1 81.9 -22.4 142.3 53 53 A L H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.922 111.6 53.6 -72.7 -45.6 79.0 -19.9 142.4 54 54 A V H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 8,-0.2 0.937 118.8 35.8 -53.3 -49.7 78.1 -20.2 138.7 55 55 A D H < S+ 0 0 12 -4,-2.8 41,-0.5 1,-0.1 -1,-0.2 0.770 126.9 35.0 -76.6 -31.0 77.8 -24.0 139.0 56 56 A b H < S+ 0 0 8 -4,-1.8 2,-1.6 -5,-0.3 -3,-0.2 0.651 85.5 90.8-105.4 -17.8 76.3 -24.2 142.5 57 57 A V >< - 0 0 4 -4,-2.6 3,-1.9 1,-0.2 5,-0.4 -0.641 49.8-179.1 -83.4 89.3 73.9 -21.3 143.2 58 58 A S T 3 S+ 0 0 106 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.0 0.686 75.2 66.2 -60.4 -22.6 70.8 -22.9 142.0 59 59 A E T 3 S+ 0 0 128 11,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.565 100.6 60.4 -77.5 -11.7 68.7 -19.8 142.7 60 60 A N S < S- 0 0 20 -3,-1.9 6,-0.2 -7,-0.2 3,-0.1 -0.482 88.1-117.6-106.4-177.0 70.7 -18.0 140.0 61 61 A D > - 0 0 109 4,-2.8 3,-3.0 1,-0.3 2,-0.1 -0.028 35.2-137.6-114.4 27.5 71.0 -18.6 136.3 62 62 A G T > S+ 0 0 1 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.317 88.6 2.5 56.6-117.6 74.7 -19.3 135.9 63 63 A a T 3 S+ 0 0 32 1,-0.2 -40,-1.5 -2,-0.1 -1,-0.3 0.507 127.6 70.8 -78.5 -2.1 75.9 -17.5 132.8 64 64 A G B < S-j 23 0C 37 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.294 114.7 -83.8 -96.7 9.4 72.3 -16.1 132.4 65 65 A G < - 0 0 9 -3,-1.1 -4,-2.8 -42,-0.6 -1,-0.3 -0.287 49.5-173.8 110.9 163.3 72.5 -13.8 135.3 66 66 A G - 0 0 6 -6,-0.2 2,-0.4 -5,-0.1 -6,-0.1 -0.984 26.1 -93.1-177.8 176.0 72.0 -13.8 139.1 67 67 A Y > - 0 0 116 -2,-0.3 4,-1.1 1,-0.1 3,-0.1 -0.900 19.5-140.6-112.0 141.9 71.8 -12.0 142.4 68 68 A M H > S+ 0 0 3 -2,-0.4 4,-2.4 1,-0.2 3,-0.2 0.860 103.0 56.5 -66.7 -40.8 74.7 -11.4 144.8 69 69 A T H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 103.2 56.4 -59.9 -36.6 72.6 -12.0 148.0 70 70 A N H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 108.7 46.8 -61.9 -39.9 71.7 -15.5 146.5 71 71 A A H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.925 111.3 50.2 -67.5 -45.9 75.4 -16.3 146.3 72 72 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.958 110.8 50.1 -57.3 -49.1 76.1 -15.1 149.9 73 73 A Q H X S+ 0 0 65 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.880 110.4 50.8 -55.4 -43.9 73.2 -17.1 151.2 74 74 A Y H X S+ 0 0 24 -4,-1.8 4,-2.8 2,-0.2 6,-0.3 0.914 107.7 51.5 -62.7 -45.0 74.6 -20.2 149.3 75 75 A V H <>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 4,-0.4 0.921 113.7 46.7 -59.2 -40.6 78.1 -19.7 150.8 76 76 A Q H ><5S+ 0 0 50 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.964 115.9 41.1 -64.0 -56.4 76.4 -19.6 154.2 77 77 A K H 3<5S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.894 115.2 52.6 -58.9 -42.7 74.1 -22.6 153.9 78 78 A N T 3<5S- 0 0 50 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.516 107.5-127.9 -72.4 -7.9 76.9 -24.6 152.1 79 79 A R T < 5S+ 0 0 156 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.713 74.8 8.6 65.6 19.7 79.3 -23.8 155.0 80 80 A G < - 0 0 0 -5,-1.8 2,-0.3 -6,-0.3 26,-0.2 -0.868 57.8-125.0 158.7 167.4 81.8 -22.5 152.5 81 81 A I E -L 105 0E 0 24,-1.5 23,-3.4 -2,-0.3 24,-1.1 -0.988 34.1-119.5-142.0 136.4 83.2 -21.4 149.1 82 82 A D E -L 103 0E 3 -2,-0.3 -33,-2.4 21,-0.3 21,-0.2 -0.303 28.6-105.6 -74.4 160.4 86.3 -22.8 147.3 83 83 A S B > -K 48 0D 16 19,-1.7 4,-2.1 -35,-0.3 -35,-0.3 -0.400 30.6-111.4 -79.5 163.4 89.3 -20.8 146.3 84 84 A E T 4 S+ 0 0 40 -37,-2.9 -36,-0.1 1,-0.2 3,-0.1 0.951 119.5 52.5 -60.5 -46.1 89.9 -19.9 142.6 85 85 A D T 4 S+ 0 0 145 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.884 112.7 43.8 -58.7 -39.7 92.8 -22.2 142.5 86 86 A A T 4 S+ 0 0 55 1,-0.3 -1,-0.2 16,-0.2 -2,-0.2 0.801 130.1 25.3 -75.7 -30.9 90.8 -25.2 143.9 87 87 A Y S < S- 0 0 15 -4,-2.1 -36,-0.4 15,-0.1 -35,-0.4 -0.588 89.6-159.6-135.3 72.1 87.8 -24.4 141.6 88 88 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.133 21.8-106.5 -58.7 144.3 89.1 -22.6 138.5 89 89 A Y + 0 0 46 1,-0.1 -5,-0.0 2,-0.1 -40,-0.0 -0.553 35.4 171.9 -74.5 125.2 86.9 -20.4 136.3 90 90 A V - 0 0 75 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.346 43.9-124.8-112.7 -1.7 86.0 -22.0 132.9 91 91 A G S S+ 0 0 15 1,-0.1 2,-0.3 -71,-0.1 -70,-0.1 0.727 82.2 80.9 64.9 25.8 83.5 -19.4 131.8 92 92 A Q S S- 0 0 105 -70,-0.1 -2,-0.3 -72,-0.0 2,-0.1 -0.960 86.1-102.3-157.5 140.4 80.7 -21.8 131.1 93 93 A E + 0 0 102 -2,-0.3 2,-0.2 -39,-0.1 -38,-0.1 -0.454 45.9 164.5 -71.8 140.6 78.3 -23.4 133.6 94 94 A E - 0 0 74 -43,-0.2 2,-0.1 -2,-0.1 3,-0.1 -0.748 47.0 -57.7-138.7-176.9 78.9 -27.0 134.5 95 95 A S - 0 0 88 -2,-0.2 2,-0.3 1,-0.1 -39,-0.1 -0.438 67.2 -91.9 -70.3 143.9 77.8 -29.4 137.2 96 96 A b + 0 0 67 -41,-0.5 -1,-0.1 1,-0.1 -44,-0.1 -0.387 48.2 172.9 -57.5 118.2 78.4 -28.2 140.8 97 97 A M + 0 0 87 -2,-0.3 -1,-0.1 -3,-0.1 -45,-0.1 -0.045 13.0 159.7-121.2 33.7 81.7 -29.6 141.8 98 98 A Y - 0 0 46 -46,-0.1 3,-0.1 1,-0.1 -17,-0.0 -0.234 17.9-169.2 -57.5 143.3 82.3 -28.0 145.2 99 99 A N > - 0 0 84 1,-0.1 3,-2.1 0, 0.0 4,-0.1 -0.931 21.7-146.9-140.6 115.4 84.8 -29.7 147.5 100 100 A P G > S+ 0 0 79 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.768 94.9 72.4 -52.2 -28.4 85.2 -28.7 151.1 101 101 A T G 3 S+ 0 0 112 1,-0.3 -3,-0.0 -3,-0.1 -15,-0.0 0.887 100.7 45.8 -57.3 -32.8 88.9 -29.6 151.0 102 102 A G G < S+ 0 0 18 -3,-2.1 -19,-1.7 -16,-0.1 -1,-0.3 0.254 80.4 144.0 -95.0 15.0 89.4 -26.4 148.9 103 103 A K E < +L 82 0E 126 -3,-2.1 -21,-0.3 -21,-0.2 3,-0.1 -0.281 16.6 169.1 -56.0 131.2 87.2 -24.1 151.1 104 104 A A E + 0 0 23 -23,-3.4 2,-0.3 1,-0.3 -22,-0.2 0.435 58.6 13.0-125.8 -6.9 88.7 -20.7 151.3 105 105 A A E -L 81 0E 8 -24,-1.1 -24,-1.5 -30,-0.1 -1,-0.3 -0.972 56.9-151.2-165.6 156.1 86.1 -18.5 152.9 106 106 A K - 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