==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING, HYDROLASE INHIBITOR 25-JUL-08 3DY0 . COMPND 2 MOLECULE: N-TERMINUS PLASMA SERINE PROTEASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.LI,J.A.HUNTINGTON . 355 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 1 0 0 2 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 2 2 1 1 0 2 0 1 1 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 1 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 27 A R 0 0 145 0, 0.0 2,-0.5 0, 0.0 275,-0.0 0.000 360.0 360.0 360.0 122.1 -4.4 14.7 -14.3 2 28 A D > - 0 0 28 1,-0.2 4,-2.9 2,-0.0 5,-0.4 -0.880 360.0-163.5-128.5 97.0 -2.9 11.4 -15.3 3 29 A F H > S+ 0 0 8 -2,-0.5 4,-2.4 1,-0.2 5,-0.3 0.906 82.5 43.5 -45.4 -64.9 -5.2 8.6 -14.3 4 30 A T H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 123.1 35.8 -53.3 -46.8 -2.9 5.5 -14.6 5 31 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.766 113.9 53.7 -85.2 -25.0 0.1 7.1 -13.0 6 32 A D H X S+ 0 0 44 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.883 113.4 47.3 -72.5 -35.5 -1.6 9.2 -10.4 7 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.4 5,-0.2 0.937 109.7 52.5 -67.9 -44.8 -3.4 6.0 -9.4 8 34 A Y H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.943 110.8 47.5 -54.6 -50.0 -0.1 4.1 -9.4 9 35 A R H X S+ 0 0 53 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.864 109.1 53.3 -61.9 -37.0 1.5 6.7 -7.1 10 36 A A H X S+ 0 0 18 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.925 112.6 44.8 -63.6 -43.8 -1.5 6.7 -4.7 11 37 A L H X S+ 0 0 5 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.921 113.6 49.7 -65.4 -44.1 -1.2 2.9 -4.4 12 38 A A H < S+ 0 0 10 -4,-2.7 3,-0.4 -5,-0.2 6,-0.2 0.895 111.8 48.2 -62.2 -41.7 2.6 3.1 -3.9 13 39 A S H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.824 107.9 55.5 -69.0 -31.4 2.3 5.7 -1.3 14 40 A A H < S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.706 121.4 27.6 -74.4 -20.6 -0.4 3.7 0.6 15 41 A A S >< S- 0 0 36 -4,-1.0 3,-1.4 -3,-0.4 -1,-0.3 -0.580 82.1-160.8-143.4 77.5 1.9 0.7 0.8 16 42 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.210 75.4 9.1 -60.4 146.9 5.6 1.6 0.8 17 43 A S T 3 S+ 0 0 50 1,-0.2 2,-0.3 -5,-0.1 -5,-0.0 0.627 104.8 119.7 58.0 16.9 8.2 -1.1 -0.1 18 44 A Q S < S- 0 0 87 -3,-1.4 -1,-0.2 -6,-0.2 -3,-0.1 -0.760 72.8 -96.1-110.5 157.8 5.4 -3.4 -1.1 19 45 A N - 0 0 39 -2,-0.3 2,-0.4 336,-0.1 334,-0.2 -0.394 38.2-160.0 -66.4 147.9 4.6 -5.0 -4.5 20 46 A I E +A 352 0A 2 332,-2.0 332,-2.4 245,-0.1 2,-0.3 -0.989 18.6 159.9-130.5 137.4 2.1 -3.1 -6.6 21 47 A F E +A 351 0A 2 -2,-0.4 2,-0.3 330,-0.3 285,-0.2 -0.840 7.2 138.6-162.6 123.8 0.1 -4.6 -9.5 22 48 A F E -A 350 0A 0 328,-2.2 328,-2.5 -2,-0.3 284,-0.1 -0.965 47.1-110.0-155.9 168.9 -3.1 -3.6 -11.2 23 49 A S > - 0 0 0 -2,-0.3 4,-1.9 326,-0.2 326,-0.2 -0.912 19.6-166.6-108.8 107.4 -4.8 -3.3 -14.6 24 50 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.916 90.1 51.2 -57.6 -43.6 -5.2 0.4 -15.7 25 51 A V H > S+ 0 0 9 322,-1.0 4,-2.5 323,-0.3 5,-0.2 0.876 106.5 54.0 -64.1 -36.8 -7.6 -0.6 -18.5 26 52 A S H > S+ 0 0 0 322,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.927 115.4 39.4 -62.2 -44.3 -9.8 -2.7 -16.1 27 53 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.906 115.9 49.5 -73.1 -42.7 -10.2 0.2 -13.7 28 54 A S H X S+ 0 0 18 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.907 112.0 49.5 -62.5 -42.4 -10.6 2.9 -16.4 29 55 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.916 110.7 51.0 -64.2 -40.5 -13.2 0.9 -18.2 30 56 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.909 111.8 46.5 -63.1 -42.1 -15.0 0.4 -14.9 31 57 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.873 110.8 53.0 -67.9 -37.5 -15.0 4.1 -14.2 32 58 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.920 111.1 46.1 -63.8 -43.4 -16.1 4.9 -17.8 33 59 A M H >X S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.913 110.1 54.5 -64.6 -41.0 -19.1 2.5 -17.4 34 60 A L H >< S+ 0 0 4 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.883 101.4 59.0 -60.0 -37.8 -19.9 4.0 -14.0 35 61 A S H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.754 88.3 75.6 -64.6 -22.6 -20.0 7.5 -15.6 36 62 A L H << S+ 0 0 42 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.840 107.5 30.9 -58.2 -33.5 -22.8 6.3 -17.9 37 63 A G T << S+ 0 0 1 -3,-1.2 253,-1.8 -4,-0.5 254,-1.1 0.172 102.2 101.5-111.6 17.8 -25.2 6.5 -15.0 38 64 A A < - 0 0 9 -3,-1.4 2,-0.3 252,-0.2 250,-0.2 -0.666 49.4-166.4-100.4 157.3 -23.6 9.4 -13.1 39 65 A G >> - 0 0 12 248,-2.1 4,-1.8 -2,-0.2 3,-1.0 -0.856 42.6 -13.1-136.9 172.4 -24.8 13.0 -13.0 40 66 A S H 3> S- 0 0 77 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.054 125.3 -5.9 38.5-131.7 -23.6 16.5 -12.0 41 67 A S H 3> S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.815 133.2 60.6 -60.9 -32.9 -20.6 16.7 -9.8 42 68 A T H <> S+ 0 0 1 -3,-1.0 4,-1.3 1,-0.2 239,-0.2 0.923 110.8 39.3 -61.9 -45.2 -20.4 12.9 -9.4 43 69 A K H X S+ 0 0 57 -4,-1.8 4,-2.5 -3,-0.3 5,-0.2 0.887 112.3 58.0 -71.3 -39.9 -20.0 12.4 -13.2 44 70 A M H X S+ 0 0 106 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.930 105.4 49.3 -55.7 -49.4 -17.7 15.4 -13.4 45 71 A Q H X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.887 110.8 50.8 -59.6 -40.6 -15.2 14.0 -10.9 46 72 A I H X S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.2 0.940 112.9 43.9 -65.1 -46.7 -15.1 10.7 -12.7 47 73 A L H <>S+ 0 0 19 -4,-2.5 5,-2.3 1,-0.2 4,-0.3 0.913 116.3 46.8 -65.7 -41.3 -14.4 12.2 -16.1 48 74 A E H ><5S+ 0 0 96 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.2 0.883 109.3 55.5 -67.4 -35.8 -11.8 14.6 -14.8 49 75 A G H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.815 103.4 54.9 -65.0 -30.3 -10.2 11.7 -12.8 50 76 A L T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -3,-0.1 -47,-0.2 0.526 125.4-104.4 -79.4 -7.0 -9.8 9.8 -16.1 51 77 A G T < 5S+ 0 0 41 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.2 0.598 73.6 139.4 95.3 12.2 -8.0 12.7 -17.5 52 78 A L < - 0 0 34 -5,-2.3 -1,-0.3 1,-0.1 2,-0.1 -0.513 44.0-133.8 -87.8 158.4 -10.7 14.2 -19.8 53 79 A N - 0 0 78 -2,-0.2 -1,-0.1 2,-0.1 6,-0.0 -0.117 38.8 -86.5 -92.6-164.2 -11.4 17.8 -20.2 54 80 A L S S+ 0 0 106 -2,-0.1 2,-0.3 4,-0.1 -6,-0.0 0.367 86.0 119.4 -90.5 5.8 -14.9 19.5 -20.2 55 81 A Q >> - 0 0 113 1,-0.1 3,-1.0 2,-0.0 4,-1.0 -0.561 60.5-145.1 -76.5 130.6 -15.6 18.9 -23.9 56 82 A K H 3> S+ 0 0 81 -2,-0.3 4,-2.0 1,-0.3 3,-0.2 0.819 101.4 62.9 -61.0 -30.9 -18.7 16.7 -24.7 57 83 A S H 3> S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.812 98.0 55.6 -63.9 -31.0 -16.7 15.3 -27.6 58 84 A S H <> S+ 0 0 26 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.849 106.5 49.9 -70.4 -34.9 -14.1 13.9 -25.2 59 85 A E H X S+ 0 0 52 -4,-1.0 4,-1.7 -3,-0.2 -2,-0.2 0.900 111.3 48.2 -70.1 -42.5 -16.9 12.0 -23.4 60 86 A K H X S+ 0 0 160 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.915 112.4 49.5 -63.5 -42.6 -18.2 10.5 -26.6 61 87 A E H X S+ 0 0 92 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.824 103.7 61.1 -66.2 -32.8 -14.7 9.6 -27.7 62 88 A L H X S+ 0 0 29 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.967 112.8 35.5 -58.3 -53.5 -14.1 7.9 -24.3 63 89 A H H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.885 116.2 54.0 -69.3 -39.6 -16.9 5.4 -24.8 64 90 A R H X S+ 0 0 90 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.910 108.5 51.1 -61.2 -41.8 -16.4 5.1 -28.6 65 91 A G H X S+ 0 0 24 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.906 112.6 44.4 -62.1 -43.4 -12.7 4.2 -27.9 66 92 A F H X S+ 0 0 27 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.861 111.9 52.7 -70.2 -36.2 -13.6 1.5 -25.4 67 93 A Q H X S+ 0 0 43 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.914 109.9 49.4 -64.4 -41.4 -16.4 0.2 -27.6 68 94 A Q H X S+ 0 0 77 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.908 109.9 51.6 -63.3 -41.9 -13.8 -0.1 -30.4 69 95 A L H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 111.1 46.6 -61.0 -47.5 -11.4 -1.9 -28.2 70 96 A L H < S+ 0 0 5 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.895 113.9 47.9 -63.1 -41.1 -14.0 -4.4 -27.0 71 97 A Q H >< S+ 0 0 99 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.883 109.2 53.9 -67.4 -38.4 -15.1 -5.1 -30.6 72 98 A E H >< S+ 0 0 92 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.875 103.9 56.0 -63.3 -37.3 -11.5 -5.4 -31.8 73 99 A L T 3< S+ 0 0 27 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.526 89.7 74.8 -74.1 -4.5 -10.9 -8.1 -29.1 74 100 A N T < S+ 0 0 118 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.626 85.7 78.0 -79.5 -13.4 -13.8 -10.1 -30.6 75 101 A Q S < S- 0 0 46 -3,-1.5 2,-0.1 -4,-0.3 0, 0.0 -0.738 104.0 -95.4 -92.5 143.4 -11.4 -10.9 -33.4 76 102 A P - 0 0 124 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.394 41.6-118.6 -62.8 129.1 -8.8 -13.6 -32.5 77 103 A R - 0 0 76 3,-0.2 2,-0.8 -4,-0.2 139,-0.0 -0.193 24.6-115.7 -61.4 160.3 -5.5 -12.1 -31.4 78 104 A D S S- 0 0 140 1,-0.1 139,-0.2 137,-0.0 -1,-0.1 -0.816 89.6 -11.8-105.9 95.4 -2.4 -12.9 -33.5 79 105 A G S S+ 0 0 38 -2,-0.8 84,-0.5 1,-0.3 2,-0.2 0.251 128.0 30.0 105.4 -13.5 0.0 -15.0 -31.5 80 106 A F S S- 0 0 30 82,-0.1 2,-0.4 134,-0.1 -1,-0.3 -0.788 79.7 -89.5-154.0-163.4 -1.4 -14.7 -28.0 81 107 A Q E +I 161 0B 81 80,-2.5 80,-2.3 -2,-0.2 2,-0.3 -0.986 32.9 163.4-132.0 131.3 -4.5 -14.3 -25.8 82 108 A L E +I 160 0B 15 -2,-0.4 2,-0.4 78,-0.2 78,-0.2 -0.901 8.0 177.0-147.5 114.3 -6.3 -11.1 -24.6 83 109 A S E +I 159 0B 38 76,-2.7 76,-2.6 -2,-0.3 2,-0.4 -0.945 2.2 175.9-120.3 140.1 -9.8 -11.1 -23.3 84 110 A L E +I 158 0B 17 -2,-0.4 2,-0.3 74,-0.2 74,-0.2 -0.983 14.7 156.8-143.7 128.1 -11.7 -8.1 -21.8 85 111 A G E -I 157 0B 6 72,-2.1 72,-2.2 -2,-0.4 2,-0.3 -0.970 26.1-144.3-152.4 168.7 -15.3 -8.1 -20.7 86 112 A N E +I 156 0B 3 23,-0.4 25,-2.2 22,-0.3 2,-0.3 -0.957 14.1 177.8-136.0 151.1 -18.1 -6.6 -18.6 87 113 A A E -Ij 155 111B 0 68,-2.3 68,-3.2 -2,-0.3 2,-0.5 -0.996 18.5-145.3-153.4 148.6 -21.1 -7.8 -16.7 88 114 A L E -Ij 154 112B 0 23,-3.4 25,-3.0 -2,-0.3 2,-0.6 -0.975 8.2-165.1-117.7 125.7 -23.9 -6.5 -14.6 89 115 A F E +Ij 153 113B 3 64,-2.5 64,-2.3 -2,-0.5 2,-0.4 -0.955 21.0 179.1-109.4 113.2 -25.3 -8.6 -11.7 90 116 A T E -Ij 152 114B 22 23,-2.2 25,-2.4 -2,-0.6 62,-0.2 -0.943 27.4-126.6-123.8 141.0 -28.6 -7.1 -10.6 91 117 A D > - 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