==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 11-DEC-98 1B3K . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.SHARP,P.E.STEIN,N.S.PANNU,R.J.READ . 1462 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1085 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 293 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 149 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 0.9 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 3 8 0 4 0 4 0 4 4 0 4 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 2 0 0 0 0 4 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 1 8 0 0 8 10 2 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 3 1 0 0 4 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 7 A Y > 0 0 193 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.4 -9.9 1.1 16.5 2 8 A V H > + 0 0 6 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.877 360.0 53.3 -73.3 -47.4 -6.5 -0.0 15.2 3 9 A A H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 361,-0.3 0.896 109.6 52.3 -58.8 -34.7 -7.5 -0.6 11.6 4 10 A H H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.878 113.3 42.0 -68.9 -37.0 -8.8 3.0 11.7 5 11 A L H X S+ 0 0 9 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.887 115.1 49.7 -74.8 -41.1 -5.4 4.3 13.1 6 12 A A H X S+ 0 0 4 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.867 108.1 56.7 -64.2 -37.2 -3.4 2.2 10.7 7 13 A S H X S+ 0 0 2 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.940 109.1 43.1 -60.6 -51.3 -5.6 3.4 7.9 8 14 A D H X S+ 0 0 7 -4,-1.6 4,-3.1 1,-0.2 3,-0.3 0.919 109.7 56.3 -61.8 -45.7 -4.9 7.1 8.5 9 15 A F H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.908 110.5 46.6 -52.3 -43.8 -1.2 6.6 9.1 10 16 A G H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.773 111.7 49.1 -69.6 -29.7 -1.0 4.9 5.6 11 17 A V H X S+ 0 0 3 -4,-1.5 4,-2.8 -3,-0.3 -2,-0.2 0.897 109.1 53.5 -74.1 -40.4 -3.1 7.7 4.0 12 18 A R H X S+ 0 0 10 -4,-3.1 4,-0.7 1,-0.3 -2,-0.2 0.769 110.4 47.9 -63.3 -28.5 -0.8 10.2 5.6 13 19 A V H X S+ 0 0 0 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.3 0.800 110.0 53.0 -81.2 -32.4 2.1 8.3 4.0 14 20 A F H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.895 99.7 60.0 -68.8 -42.6 0.3 8.3 0.7 15 21 A Q H X S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.896 104.8 54.0 -52.3 -38.1 -0.2 12.0 0.7 16 22 A Q H X S+ 0 0 30 -4,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.959 109.5 42.3 -63.2 -53.9 3.6 12.1 0.8 17 23 A V H < S+ 0 0 10 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.807 118.3 49.6 -64.2 -29.1 4.3 9.9 -2.2 18 24 A A H >< S+ 0 0 7 -4,-2.8 3,-4.2 1,-0.2 -2,-0.2 0.992 109.8 46.6 -69.2 -66.0 1.5 11.7 -4.1 19 25 A Q H 3< S+ 0 0 110 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.630 110.3 59.2 -51.9 -11.4 2.6 15.3 -3.3 20 26 A A T 3< S+ 0 0 41 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.377 108.3 43.9-100.2 4.8 6.0 14.0 -4.3 21 27 A S S < S- 0 0 35 -3,-4.2 3,-0.5 -5,-0.1 -1,-0.2 -0.364 73.1-170.9-147.7 63.6 4.8 13.0 -7.8 22 28 A K S S+ 0 0 118 -3,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.235 77.3 8.3 -56.3 140.1 2.6 15.7 -9.4 23 29 A D S S+ 0 0 83 1,-0.2 2,-0.3 163,-0.0 -1,-0.2 0.948 105.6 119.5 51.4 61.5 1.0 14.5 -12.7 24 30 A R - 0 0 146 -3,-0.5 -1,-0.2 2,-0.0 345,-0.1 -0.933 67.6-110.1-160.1 131.1 2.2 10.8 -12.2 25 31 A N + 0 0 56 -2,-0.3 2,-0.3 347,-0.1 345,-0.2 -0.358 43.3 167.7 -60.7 129.3 0.6 7.4 -11.9 26 32 A V E -A 369 0A 8 343,-2.0 343,-2.1 -2,-0.1 2,-0.4 -0.912 20.6-170.1-152.2 121.8 1.0 5.9 -8.4 27 33 A V E +A 368 0A 1 -2,-0.3 2,-0.3 341,-0.2 291,-0.3 -0.914 23.0 168.0-107.5 136.6 -0.6 2.9 -6.7 28 34 A F E -A 367 0A 0 339,-3.3 339,-3.4 -2,-0.4 3,-0.1 -0.967 32.2-132.1-149.0 159.4 -0.0 2.6 -2.9 29 35 A S > - 0 0 0 -2,-0.3 4,-2.1 337,-0.2 5,-0.3 -0.858 10.9-175.4-121.6 100.5 -1.2 0.7 0.2 30 36 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 335,-0.2 0.915 92.5 51.3 -55.7 -42.2 -1.9 2.6 3.3 31 37 A Y H > S+ 0 0 11 333,-1.2 4,-2.0 334,-0.5 334,-0.1 0.938 107.9 50.6 -59.4 -51.7 -2.5 -0.7 5.1 32 38 A G H > S+ 0 0 0 333,-0.5 4,-2.0 1,-0.2 3,-0.3 0.932 111.9 43.6 -54.9 -55.0 0.7 -2.2 4.0 33 39 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.822 112.3 57.7 -62.7 -28.0 3.1 0.6 5.1 34 40 A A H X S+ 0 0 2 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.883 108.1 46.0 -67.6 -38.8 1.0 0.7 8.2 35 41 A S H >X S+ 0 0 17 -4,-2.0 4,-1.3 -3,-0.3 3,-1.1 0.983 108.9 50.4 -68.9 -60.5 1.7 -3.0 9.0 36 42 A V H >X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.3 3,-0.8 0.885 112.8 48.0 -46.0 -47.9 5.5 -3.1 8.4 37 43 A L H 3X S+ 0 0 0 -4,-1.5 4,-0.9 1,-0.3 -1,-0.3 0.779 102.0 62.4 -67.6 -25.9 6.1 -0.1 10.6 38 44 A A H << S+ 0 0 1 -3,-1.1 4,-0.5 -4,-0.9 -1,-0.3 0.818 113.4 38.1 -66.6 -27.5 3.9 -1.6 13.3 39 45 A M H XX S+ 0 0 18 -4,-1.3 3,-1.4 -3,-0.8 4,-1.0 0.885 108.3 59.0 -86.6 -47.6 6.5 -4.4 13.4 40 46 A L H 3X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.3 -2,-0.2 0.729 97.2 70.6 -53.7 -19.1 9.5 -2.2 12.8 41 47 A Q H 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -5,-0.2 3,-0.2 0.910 91.9 52.3 -63.7 -45.9 8.2 -0.6 16.0 42 48 A L H <4 S+ 0 0 17 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.832 108.7 50.9 -63.4 -31.7 9.1 -3.5 18.2 43 49 A T H < S+ 0 0 0 -4,-1.0 260,-0.7 260,-0.1 259,-0.6 0.820 100.9 77.6 -75.5 -29.4 12.7 -3.5 16.9 44 50 A T < - 0 0 0 -4,-1.3 2,-0.3 -3,-0.2 256,-0.3 -0.585 60.5-178.2 -86.6 141.6 13.0 0.2 17.6 45 51 A G > - 0 0 2 254,-2.4 4,-0.7 -2,-0.3 3,-0.4 -0.928 44.0 -10.0-134.9 160.5 13.6 1.7 21.1 46 52 A G H >> S+ 0 0 39 -2,-0.3 4,-1.3 1,-0.2 3,-0.9 -0.146 121.0 8.4 54.6-149.8 14.0 5.1 22.7 47 53 A E H >> S+ 0 0 127 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.764 134.3 41.3 -21.2 -82.9 14.4 8.2 20.5 48 54 A T H 3> S+ 0 0 0 249,-0.4 4,-1.6 -3,-0.4 -1,-0.3 0.847 110.7 62.7 -40.3 -46.2 13.7 6.7 17.0 49 55 A Q H S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 5,-0.9 0.929 112.4 46.8 -54.7 -54.5 4.8 5.8 17.5 54 60 A A H <5S+ 0 0 22 -4,-3.7 444,-0.5 1,-0.2 3,-0.3 0.956 114.8 49.4 -53.0 -51.9 3.8 9.5 17.5 55 61 A A H <5S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.771 115.7 42.4 -59.3 -30.6 3.5 9.3 13.7 56 62 A M H <5S- 0 0 0 -4,-1.9 -47,-0.2 -3,-0.3 -1,-0.2 0.707 102.4-129.2 -92.3 -20.0 1.3 6.2 13.9 57 63 A G T <5S+ 0 0 20 -4,-2.5 2,-0.3 -3,-0.3 -3,-0.2 0.544 77.9 59.4 85.4 5.8 -0.9 7.2 16.7 58 64 A F S - 0 0 89 -2,-0.3 3,-2.2 1,-0.1 6,-0.2 -0.843 19.0-146.7 -96.8 120.7 2.2 1.9 20.4 60 66 A I T 3 S+ 0 0 3 -2,-0.6 6,-1.1 1,-0.3 -1,-0.1 0.831 95.9 58.1 -54.4 -35.8 2.2 -1.7 19.1 61 67 A D T 3 S+ 0 0 94 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 0.484 79.7 106.6 -79.4 -0.9 3.2 -3.1 22.5 62 68 A D S X> S- 0 0 71 -3,-2.2 3,-1.3 1,-0.1 4,-0.5 -0.583 88.7 -88.1 -77.0 143.3 0.2 -1.6 24.3 63 69 A K T 34 S+ 0 0 190 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.175 109.2 17.4 -54.0 134.7 -2.3 -4.3 25.2 64 70 A G T 3> S+ 0 0 29 -3,-0.1 4,-1.6 -4,-0.1 -1,-0.2 -0.146 102.3 89.5 98.8 -38.7 -4.9 -5.0 22.5 65 71 A M H X> S+ 0 0 29 -3,-1.3 4,-1.9 -6,-0.2 3,-0.7 0.981 86.2 42.5 -55.9 -71.5 -3.1 -3.4 19.6 66 72 A A H 3X S+ 0 0 5 -6,-1.1 4,-2.3 -4,-0.5 -1,-0.2 0.888 115.6 49.1 -44.8 -52.3 -1.0 -6.3 18.1 67 73 A P H 3> S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.856 106.3 58.3 -60.1 -34.1 -3.7 -8.9 18.4 68 74 A A H S+ 0 0 129 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.833 124.4 56.8 -78.4 -40.9 -11.9 -17.4 2.5 80 86 A W T 3 S+ 0 0 44 1,-0.2 4,-0.1 -5,-0.2 -3,-0.1 0.870 82.5 88.1 -59.9 -38.0 -13.6 -14.7 0.5 81 87 A N T > - 0 0 8 -6,-0.2 3,-1.8 -5,-0.2 -1,-0.2 0.786 66.2-175.4 -30.3 -51.5 -10.2 -13.4 -0.6 82 88 A K T < - 0 0 114 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.848 69.0 -59.7 54.0 41.6 -10.3 -15.8 -3.5 83 89 A D T 3 S+ 0 0 116 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.696 111.2 118.6 60.9 22.0 -6.8 -15.0 -4.8 84 90 A E S < S+ 0 0 2 -3,-1.8 82,-2.5 1,-0.2 2,-0.4 0.746 72.6 30.8 -87.8 -25.6 -7.8 -11.4 -5.3 85 91 A I E -I 165 0B 5 80,-0.2 2,-0.3 -9,-0.1 -1,-0.2 -0.982 56.2-174.2-145.6 135.1 -5.3 -9.9 -2.8 86 92 A S E +I 164 0B 7 78,-2.6 78,-1.3 -2,-0.4 2,-0.3 -0.885 10.0 177.2-120.0 151.0 -1.8 -10.7 -1.5 87 93 A T E +I 163 0B 6 50,-0.4 2,-0.3 -2,-0.3 76,-0.2 -0.990 2.7 167.3-150.6 152.1 0.1 -8.9 1.3 88 94 A T E -I 162 0B 11 74,-0.7 74,-1.9 -2,-0.3 2,-0.2 -0.946 13.3-168.9-169.6 146.4 3.4 -9.3 3.0 89 95 A D E +I 161 0B 17 -2,-0.3 72,-0.2 72,-0.2 2,-0.2 -0.718 14.7 169.7-125.2 175.9 5.9 -7.7 5.4 90 96 A A E -I 160 0B 6 70,-0.7 70,-1.8 -2,-0.2 2,-0.5 -0.633 20.6-156.4 168.6 129.8 9.4 -8.6 6.3 91 97 A I E -I 159 0B 6 23,-0.3 25,-0.8 68,-0.2 2,-0.5 -0.975 12.8-162.2-119.8 126.0 12.5 -7.2 8.1 92 98 A F E +Ij 158 116B 2 66,-2.6 66,-2.8 -2,-0.5 2,-0.3 -0.930 12.2 177.3-111.6 127.7 15.9 -8.6 7.3 93 99 A V E -Ij 157 117B 0 23,-2.8 25,-1.4 -2,-0.5 64,-0.2 -0.934 43.8 -84.6-127.9 151.3 18.8 -8.0 9.7 94 100 A Q E > - j 0 118B 2 62,-1.7 3,-1.7 -2,-0.3 25,-0.2 -0.349 40.0-139.7 -55.2 116.7 22.4 -9.1 9.5 95 101 A R T 3 S+ 0 0 120 23,-2.2 4,-0.2 1,-0.3 -1,-0.1 0.898 93.0 61.4 -43.5 -65.2 22.5 -12.6 11.0 96 102 A D T 3 S+ 0 0 106 22,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.433 78.5 121.6 -47.0 -3.6 25.7 -12.5 13.1 97 103 A L S < S- 0 0 7 -3,-1.7 2,-1.8 1,-0.1 -4,-0.0 -0.528 71.9-121.7 -76.2 129.1 24.2 -9.7 15.2 98 104 A K - 0 0 117 -2,-0.3 208,-0.2 206,-0.1 207,-0.2 -0.445 38.3-158.8 -64.1 85.2 23.9 -10.2 19.0 99 105 A L - 0 0 32 -2,-1.8 205,-0.3 -4,-0.2 3,-0.1 -0.445 29.4 -88.8 -72.3 143.5 20.2 -9.7 19.1 100 106 A V > - 0 0 27 203,-2.1 3,-2.0 1,-0.1 4,-0.3 -0.247 58.2 -86.4 -54.5 132.0 18.8 -8.7 22.5 101 107 A Q T 3 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 -0.047 107.8 1.6 -42.3 128.7 17.8 -11.7 24.6 102 108 A G T 3> S+ 0 0 43 -3,-0.1 4,-1.1 1,-0.1 -1,-0.3 0.658 91.9 122.0 65.5 18.3 14.3 -13.0 23.9 103 109 A F H <> S+ 0 0 11 -3,-2.0 4,-3.2 2,-0.2 3,-0.5 0.982 70.3 50.1 -74.1 -57.3 13.5 -10.5 21.2 104 110 A M H > S+ 0 0 50 -4,-0.3 4,-3.0 1,-0.3 5,-0.3 0.897 111.1 48.8 -46.2 -52.4 12.7 -12.9 18.4 105 111 A P H > S+ 0 0 81 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.893 113.6 47.9 -59.0 -36.9 10.4 -15.0 20.5 106 112 A H H >X S+ 0 0 42 -4,-1.1 4,-1.8 -3,-0.5 3,-0.6 0.965 110.8 50.9 -65.5 -51.5 8.6 -11.8 21.6 107 113 A F H 3X S+ 0 0 3 -4,-3.2 4,-2.7 1,-0.3 5,-0.3 0.955 111.3 47.4 -48.4 -58.1 8.4 -10.6 18.0 108 114 A F H 3X S+ 0 0 101 -4,-3.0 4,-1.5 1,-0.2 -1,-0.3 0.771 104.6 63.8 -56.3 -26.2 6.9 -13.9 16.9 109 115 A R H << S+ 0 0 155 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.984 114.5 28.9 -61.1 -56.8 4.5 -13.6 19.9 110 116 A L H < S+ 0 0 15 -4,-1.8 -2,-0.2 -3,-0.3 -40,-0.2 0.808 133.2 29.1 -75.1 -37.3 2.9 -10.4 18.5 111 117 A F H < S- 0 0 18 -4,-2.7 -3,-0.2 2,-0.2 -1,-0.2 0.429 85.1-133.1-109.7 2.8 3.3 -10.8 14.8 112 118 A R S < S+ 0 0 144 -4,-1.5 2,-0.2 -5,-0.3 -4,-0.2 0.766 80.7 96.5 51.2 21.7 3.3 -14.6 14.1 113 119 A S - 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