==== 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 09-MAY-02 1LQ8 . COMPND 2 MOLECULE: PLASMA SERINE PROTEASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.HUNTINGTON,M.KJELLBERG,J.STENFLO . 1431 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1098 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 396 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 160 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.5 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 3 0 0 4 1 4 5 3 7 3 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 . 6 2 4 0 6 7 7 4 0 3 5 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 5 0 0 2 1 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 26 A R 0 0 262 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 51.2 -2.0 1.6 46.5 2 27 A R - 0 0 96 50,-0.1 2,-1.1 49,-0.1 3,-0.2 -0.991 360.0-126.4-152.7 146.9 -3.7 2.0 43.1 3 28 A D > + 0 0 22 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.781 28.5 179.0 -96.8 89.2 -2.7 1.5 39.5 4 29 A F H > S+ 0 0 9 -2,-1.1 4,-2.6 47,-0.5 5,-0.2 0.893 77.1 53.1 -56.3 -47.5 -3.8 4.9 38.0 5 30 A T H > S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 118.9 33.4 -57.5 -46.5 -2.6 4.1 34.5 6 31 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.723 114.6 57.4 -86.0 -20.7 -4.5 0.8 34.2 7 32 A D H X S+ 0 0 40 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.921 111.8 44.2 -71.8 -39.7 -7.4 2.0 36.3 8 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.891 109.6 56.6 -68.9 -39.6 -7.8 4.8 33.8 9 34 A Y H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.954 110.1 44.1 -56.2 -52.3 -7.3 2.4 30.9 10 35 A R H X S+ 0 0 51 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.911 110.2 55.7 -60.6 -42.1 -10.2 0.2 32.1 11 36 A A H X S+ 0 0 18 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.929 110.1 45.8 -55.2 -47.4 -12.4 3.3 32.8 12 37 A L H X S+ 0 0 3 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.859 114.2 48.4 -64.4 -37.6 -12.0 4.4 29.2 13 38 A A H >< S+ 0 0 7 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.939 109.4 51.3 -69.6 -47.5 -12.6 1.0 27.8 14 39 A S H 3< S+ 0 0 92 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.0 51.2 -58.1 -33.9 -15.8 0.4 29.9 15 40 A A H 3< S+ 0 0 79 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.734 121.2 33.3 -76.4 -22.3 -17.1 3.7 28.6 16 41 A A S X< S- 0 0 20 -4,-0.9 3,-1.6 -3,-0.8 -1,-0.3 -0.498 82.0-169.1-134.0 64.5 -16.4 2.7 25.0 17 42 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.638 76.1 8.1 -17.4 -71.6 -17.0 -1.1 25.0 18 43 A S T 3 S+ 0 0 86 -4,-0.1 2,-0.3 2,-0.1 -4,-0.1 -0.362 104.2 102.6-123.5 55.9 -15.7 -2.2 21.6 19 44 A Q S < S- 0 0 92 -3,-1.6 -3,-0.1 -6,-0.2 336,-0.1 -0.861 78.2 -84.7-128.9 162.5 -14.0 0.8 20.2 20 45 A N - 0 0 47 -2,-0.3 2,-0.4 338,-0.1 336,-0.2 -0.369 41.1-159.4 -67.9 148.9 -10.3 1.7 19.9 21 46 A I E +A 355 0A 0 334,-1.7 334,-1.8 245,-0.1 2,-0.3 -0.956 17.1 162.4-128.2 146.5 -8.7 3.4 22.9 22 47 A F E +A 354 0A 0 -2,-0.4 2,-0.3 332,-0.3 285,-0.3 -0.862 7.5 138.8-166.6 131.1 -5.5 5.5 23.0 23 48 A F E -A 353 0A 0 330,-2.4 330,-2.4 -2,-0.3 284,-0.1 -0.969 45.7-109.6-162.2 171.7 -4.0 7.9 25.5 24 49 A S > - 0 0 0 -2,-0.3 4,-2.0 328,-0.2 5,-0.2 -0.911 18.5-169.2-115.1 103.5 -0.8 9.1 27.1 25 50 A P H > S+ 0 0 2 0, 0.0 4,-3.5 0, 0.0 5,-0.5 0.958 89.7 55.3 -55.8 -49.4 -0.6 8.3 30.8 26 51 A V H > S+ 0 0 5 324,-1.1 4,-2.3 1,-0.2 5,-0.3 0.886 108.0 51.0 -50.0 -43.1 2.5 10.5 31.3 27 52 A S H > S+ 0 0 0 324,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.941 117.0 37.5 -59.9 -50.6 0.5 13.4 29.8 28 53 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.929 118.8 46.5 -69.5 -48.5 -2.5 12.9 32.1 29 54 A S H X S+ 0 0 18 -4,-3.5 4,-2.8 -5,-0.2 5,-0.2 0.898 113.5 49.5 -64.2 -38.8 -0.6 11.9 35.3 30 55 A M H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.5 -1,-0.2 0.915 111.8 50.2 -65.1 -39.6 1.9 14.8 34.8 31 56 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.910 111.5 48.1 -62.9 -42.4 -1.1 17.1 34.3 32 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.921 109.4 51.6 -63.7 -45.4 -2.7 15.8 37.5 33 58 A A H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.783 110.9 49.8 -62.8 -28.0 0.4 16.2 39.5 34 59 A M H >< S+ 0 0 0 -4,-1.5 3,-0.9 -5,-0.2 4,-0.4 0.913 108.9 51.5 -76.2 -42.0 0.6 19.7 38.3 35 60 A L H >< S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.891 103.3 58.1 -58.2 -44.2 -3.0 20.4 39.2 36 61 A S G >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -1,-0.3 0.749 89.3 77.6 -59.3 -24.3 -2.3 19.0 42.8 37 62 A L G < S+ 0 0 34 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.817 105.1 31.0 -56.4 -34.1 0.3 21.7 43.1 38 63 A G G < S+ 0 0 0 -3,-1.6 253,-1.3 -4,-0.4 254,-0.9 -0.091 102.5 107.5-117.3 35.0 -2.3 24.4 43.7 39 64 A A < - 0 0 9 -3,-1.8 250,-0.2 252,-0.2 2,-0.2 -0.826 44.2-173.2-113.5 150.8 -4.8 22.1 45.4 40 65 A G >> + 0 0 14 248,-2.4 4,-2.4 -2,-0.3 3,-0.7 -0.731 42.8 6.2-132.6-177.9 -5.9 21.9 49.0 41 66 A S H 3> S- 0 0 93 1,-0.2 4,-0.6 -2,-0.2 3,-0.3 0.022 121.5 -21.7 44.4-142.3 -7.9 20.0 51.5 42 67 A S H 3> S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.758 135.2 64.0 -69.1 -25.4 -9.5 16.7 50.3 43 68 A T H <> S+ 0 0 2 -3,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.920 102.0 49.0 -65.1 -41.8 -9.4 17.8 46.7 44 69 A K H X S+ 0 0 46 -4,-2.4 4,-1.0 -3,-0.3 -1,-0.2 0.680 113.3 50.8 -68.3 -19.0 -5.5 17.8 46.8 45 70 A M H X S+ 0 0 105 -4,-0.6 4,-2.5 -5,-0.3 5,-0.2 0.799 100.7 57.2 -91.4 -32.5 -5.8 14.4 48.4 46 71 A Q H X S+ 0 0 42 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.881 108.9 50.3 -64.7 -36.3 -8.1 12.7 45.9 47 72 A I H X S+ 0 0 0 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.922 112.7 43.0 -65.9 -49.8 -5.6 13.6 43.2 48 73 A L H X>S+ 0 0 6 -4,-1.0 5,-2.2 2,-0.2 4,-0.8 0.920 118.4 46.8 -63.9 -43.1 -2.5 12.2 45.0 49 74 A E H ><5S+ 0 0 112 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.956 109.1 53.6 -62.7 -50.8 -4.6 9.1 46.0 50 75 A G H 3<5S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.740 106.9 53.4 -56.7 -24.5 -5.9 8.7 42.5 51 76 A L H 3<5S- 0 0 32 -4,-1.2 -47,-0.5 -3,-0.3 -1,-0.3 0.682 119.8-112.6 -83.5 -18.0 -2.3 8.7 41.3 52 77 A G T <<5 + 0 0 15 -3,-1.7 2,-0.3 -4,-0.8 -3,-0.2 0.824 49.6 178.5 89.0 36.6 -1.5 5.9 43.8 53 78 A L < - 0 0 18 -5,-2.2 -1,-0.2 1,-0.1 6,-0.0 -0.591 26.7-144.3 -77.7 130.4 0.8 8.1 45.9 54 79 A N - 0 0 66 -2,-0.3 -1,-0.1 1,-0.1 5,-0.1 0.697 8.6-152.4 -67.2 -23.4 2.2 6.2 48.9 55 80 A L S S+ 0 0 82 3,-0.5 2,-0.1 -7,-0.1 -1,-0.1 0.436 91.4 43.9 60.8 -5.6 2.1 9.2 51.3 56 81 A Q S S+ 0 0 147 2,-0.2 3,-0.1 3,-0.0 -1,-0.0 -0.590 117.8 26.1-171.3 102.3 4.9 7.1 52.8 57 82 A K S S+ 0 0 100 -2,-0.1 2,-0.4 1094,-0.0 -4,-0.0 -0.541 132.6 40.7 136.9 -50.0 7.6 5.5 50.6 58 83 A S S S- 0 0 33 4,-0.0 2,-0.5 3,-0.0 -3,-0.5 -0.978 80.0-161.3-119.8 128.8 6.9 8.3 48.1 59 84 A S > - 0 0 67 -2,-0.4 3,-4.9 -3,-0.1 4,-0.4 -0.960 36.4-103.2-122.1 117.4 6.3 11.7 49.5 60 85 A E T >> S+ 0 0 61 -2,-0.5 4,-1.5 1,-0.3 3,-0.6 0.423 122.4 53.5 5.7 -60.3 4.5 14.4 47.4 61 86 A K H 3> S+ 0 0 149 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.805 101.6 58.8 -60.8 -31.5 7.8 16.1 46.6 62 87 A E H <> S+ 0 0 32 -3,-4.9 4,-1.9 2,-0.2 -1,-0.3 0.855 102.2 56.5 -65.9 -32.8 9.3 12.8 45.4 63 88 A L H <> S+ 0 0 29 -3,-0.6 4,-2.0 -4,-0.4 -2,-0.2 0.933 111.6 40.8 -62.0 -48.4 6.5 12.8 42.8 64 89 A H H X S+ 0 0 13 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.905 111.5 55.2 -68.8 -42.0 7.5 16.2 41.5 65 90 A R H X S+ 0 0 26 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.868 108.5 52.3 -58.7 -35.4 11.2 15.5 41.6 66 91 A G H X S+ 0 0 33 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.966 111.7 41.4 -64.8 -56.5 10.4 12.4 39.5 67 92 A F H X S+ 0 0 27 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.871 113.9 55.8 -59.9 -35.8 8.5 14.2 36.8 68 93 A Q H X S+ 0 0 11 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.951 108.2 47.1 -60.0 -49.4 11.1 17.0 37.0 69 94 A Q H X S+ 0 0 14 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.934 111.0 52.5 -55.8 -50.2 13.9 14.4 36.3 70 95 A L H < S+ 0 0 13 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.956 110.0 47.0 -51.5 -57.5 11.8 13.0 33.4 71 96 A L H >< S+ 0 0 8 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.851 115.3 48.1 -54.0 -36.7 11.4 16.4 31.8 72 97 A Q H 3< S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 100.8 61.9 -74.2 -38.4 15.2 17.0 32.3 73 98 A E T 3< S+ 0 0 94 -4,-3.1 -1,-0.2 -5,-0.2 2,-0.2 0.498 79.3 119.5 -67.3 -1.5 16.4 13.7 30.9 74 99 A L < - 0 0 38 -3,-0.7 2,-0.2 -4,-0.4 10,-0.1 -0.464 50.8-156.3 -69.8 133.7 14.8 14.7 27.6 75 100 A N - 0 0 118 8,-0.3 8,-0.4 -2,-0.2 3,-0.1 -0.673 23.1 -92.9-108.0 164.2 17.3 15.0 24.7 76 101 A Q - 0 0 147 -2,-0.2 2,-0.8 1,-0.2 -1,-0.1 -0.281 67.1 -65.0 -71.8 159.8 17.2 16.9 21.5 77 102 A P - 0 0 87 0, 0.0 5,-0.2 0, 0.0 -1,-0.2 -0.224 66.6-166.1 -48.3 92.0 15.8 15.3 18.3 78 103 A R - 0 0 115 3,-0.9 2,-0.8 -2,-0.8 3,-0.4 0.279 40.9 -60.3 -62.9-157.4 18.5 12.6 18.0 79 104 A D S S- 0 0 118 1,-0.2 -1,-0.1 84,-0.0 3,-0.1 -0.826 118.1 -12.9 -99.6 109.3 18.8 10.7 14.7 80 105 A G S S+ 0 0 19 -2,-0.8 84,-2.0 1,-0.1 136,-0.3 0.758 126.0 78.3 75.6 24.6 15.7 8.8 13.9 81 106 A F E +J 163 0B 24 -3,-0.4 -3,-0.9 82,-0.2 2,-0.3 -0.899 48.4 166.8-164.5 132.9 14.3 9.3 17.4 82 107 A Q E +J 162 0B 30 80,-2.5 80,-2.2 -2,-0.3 2,-0.4 -0.948 6.6 171.7-155.5 131.3 12.6 12.1 19.2 83 108 A L E +J 161 0B 14 -8,-0.4 2,-0.4 -2,-0.3 -8,-0.3 -0.977 10.8 173.4-140.0 122.2 10.6 12.5 22.5 84 109 A S E -J 160 0B 30 76,-2.0 76,-2.3 -2,-0.4 2,-0.4 -0.992 9.1-172.3-133.0 139.9 9.6 15.9 23.9 85 110 A L E +J 159 0B 14 -2,-0.4 2,-0.3 74,-0.2 74,-0.2 -0.996 13.6 170.4-132.5 128.8 7.4 16.7 26.8 86 111 A G E -J 158 0B 6 72,-1.5 72,-2.0 -2,-0.4 2,-0.3 -0.948 19.7-154.1-139.8 160.1 6.3 20.2 27.7 87 112 A N E -J 157 0B 1 23,-0.4 25,-2.6 -2,-0.3 2,-0.3 -0.975 13.8-172.5-131.7 144.7 3.9 22.1 30.0 88 113 A A E -Jk 156 112B 1 68,-2.9 68,-3.5 -2,-0.3 2,-0.5 -0.999 14.0-152.6-143.3 144.3 2.3 25.5 29.5 89 114 A L E -Jk 155 113B 2 23,-3.2 25,-3.1 -2,-0.3 2,-0.6 -0.959 6.3-166.7-115.4 128.6 0.2 28.0 31.5 90 115 A F E -Jk 154 114B 1 64,-2.2 64,-2.2 -2,-0.5 2,-0.4 -0.939 15.9-170.7-117.3 107.0 -2.2 30.3 29.8 91 116 A T E -Jk 153 115B 21 23,-1.5 25,-3.2 -2,-0.6 62,-0.2 -0.831 24.0-113.0-106.5 135.0 -3.3 33.0 32.3 92 117 A D E > - 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