==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 21-JAN-00 1DVM . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.J.STOUT,H.GRAHAM,D.I.BUCKLEY,D.J.MATTHEWS . 1476 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1044 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 297 20.1 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 . 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 . 135 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.7 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 4 3 1 0 1 7 1 6 4 0 3 2 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 5 2 0 0 0 1 3 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 5 0 2 11 7 3 5 3 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 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 4 A P > 0 0 52 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 152.2 20.4 12.4 -63.8 2 5 A P H > + 0 0 82 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.916 360.0 18.4 -39.5-100.5 21.4 11.1 -60.2 3 6 A S H > S+ 0 0 55 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.656 124.2 64.2 -55.8 -17.4 22.8 13.8 -58.0 4 7 A Y H >> S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 3,-1.5 0.993 106.6 36.9 -69.2 -65.9 21.2 16.3 -60.3 5 8 A V H 3X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.772 113.0 60.6 -56.0 -31.0 17.5 15.2 -59.7 6 9 A A H 3X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.3 361,-0.4 0.831 107.9 45.4 -65.6 -32.4 18.4 14.7 -56.0 7 10 A H H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.6 0.894 115.4 48.7 -67.9 -36.1 5.8 25.5 -43.4 21 24 A A H 3X S+ 0 0 9 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.870 103.8 57.0 -71.0 -39.0 8.3 27.4 -41.2 22 25 A Q H 3< S+ 0 0 113 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.602 115.1 42.2 -69.0 -8.0 7.0 30.9 -42.0 23 26 A A H <4 S+ 0 0 37 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.746 107.9 55.6-104.0 -37.6 3.7 29.5 -40.7 24 27 A S H >< S+ 0 0 7 -4,-2.0 3,-1.1 1,-0.2 2,-1.0 0.721 78.0 176.7 -69.7 -22.6 4.9 27.6 -37.6 25 28 A K T 3< S+ 0 0 137 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 -0.349 70.9 2.7 58.2 -93.0 6.5 30.7 -36.3 26 29 A D T 3 S+ 0 0 71 -2,-1.0 2,-0.3 -3,-0.2 -1,-0.3 0.065 104.8 110.4-114.0 24.4 7.9 29.7 -32.9 27 30 A R S < S- 0 0 152 -3,-1.1 345,-0.1 -6,-0.2 -3,-0.1 -0.757 77.8-103.1-100.4 146.3 7.0 26.0 -32.9 28 31 A N - 0 0 14 -2,-0.3 2,-0.4 347,-0.1 345,-0.2 -0.425 47.1-168.8 -60.5 138.1 9.5 23.1 -33.1 29 32 A V E -A 372 0A 1 343,-2.1 343,-1.9 1419,-0.1 2,-0.4 -0.919 18.5-177.1-144.8 116.5 9.2 21.9 -36.7 30 33 A V E +A 371 0A 1 -2,-0.4 2,-0.3 341,-0.2 291,-0.2 -0.852 17.5 164.5-106.5 144.9 10.6 18.8 -38.4 31 34 A F E -A 370 0A 0 339,-1.3 339,-2.6 -2,-0.4 3,-0.1 -0.984 34.7-129.5-155.9 157.4 10.1 18.2 -42.1 32 35 A S > - 0 0 0 -2,-0.3 4,-1.6 337,-0.2 5,-0.3 -0.832 12.0-173.2-119.0 93.8 11.5 16.0 -45.0 33 36 A P T 4 S+ 0 0 0 0, 0.0 4,-0.5 0, 0.0 -20,-0.3 0.815 92.6 50.9 -51.9 -28.9 12.5 18.1 -48.1 34 37 A Y T >> S+ 0 0 7 334,-1.1 4,-2.8 333,-0.4 3,-0.8 0.960 105.5 53.6 -72.3 -55.9 13.0 14.7 -49.7 35 38 A G H 3> S+ 0 0 0 333,-0.4 4,-2.0 1,-0.3 3,-0.4 0.931 109.9 44.7 -44.5 -65.3 9.7 13.2 -48.8 36 39 A V H 3X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.3 -1,-0.3 0.702 114.5 53.0 -55.9 -21.9 7.5 16.0 -50.2 37 40 A A H <> S+ 0 0 1 -3,-0.8 4,-1.3 -4,-0.5 -1,-0.3 0.900 108.0 49.0 -79.6 -42.1 9.8 15.9 -53.3 38 41 A S H X S+ 0 0 12 -4,-2.8 4,-1.1 -3,-0.4 3,-0.3 0.963 116.6 40.4 -59.9 -55.1 9.3 12.1 -53.8 39 42 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.5 0.884 111.5 54.5 -63.8 -44.9 5.5 12.2 -53.6 40 43 A L H X S+ 0 0 0 -4,-1.2 4,-0.7 -5,-0.3 -1,-0.2 0.820 106.1 55.2 -61.1 -28.3 4.9 15.4 -55.5 41 44 A A H < S+ 0 0 0 -4,-1.3 4,-0.4 -3,-0.3 -1,-0.3 0.821 108.2 48.3 -71.5 -33.9 6.9 13.8 -58.3 42 45 A M H >< S+ 0 0 8 -4,-1.1 3,-1.6 -3,-0.5 4,-0.3 0.925 107.9 54.1 -71.0 -44.7 4.5 10.8 -58.3 43 46 A L H >< S+ 0 0 3 -4,-2.5 3,-1.0 1,-0.3 4,-0.2 0.682 92.2 73.7 -63.4 -20.7 1.5 13.1 -58.4 44 47 A Q G >< S+ 0 0 5 -4,-0.7 3,-0.9 1,-0.2 -1,-0.3 0.856 93.6 55.7 -59.1 -34.1 3.0 14.8 -61.5 45 48 A L G < S+ 0 0 12 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.608 103.5 52.0 -72.1 -21.0 1.9 11.6 -63.3 46 49 A T G < S+ 0 0 0 -3,-1.0 260,-0.7 -4,-0.3 259,-0.5 0.308 102.8 81.8 -98.5 3.7 -1.7 11.9 -62.2 47 50 A T < + 0 0 4 -3,-0.9 2,-0.3 -4,-0.2 256,-0.3 -0.689 50.5 177.3-111.6 166.3 -1.9 15.5 -63.5 48 51 A G >> + 0 0 4 254,-2.4 3,-0.8 -2,-0.2 4,-0.6 -0.946 48.6 6.9-155.7 167.4 -2.4 17.2 -66.7 49 52 A G H >> S- 0 0 41 -2,-0.3 4,-1.7 1,-0.2 3,-1.2 -0.135 122.2 -13.5 57.0-145.0 -2.8 20.7 -68.1 50 53 A E H 3> S+ 0 0 106 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.823 134.0 60.4 -59.8 -35.7 -2.2 23.8 -65.9 51 54 A T H <4 S+ 0 0 5 -3,-0.8 4,-0.3 249,-0.2 -1,-0.3 0.740 109.9 44.9 -64.6 -21.9 -2.3 21.7 -62.7 52 55 A Q H S+ 0 0 5 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.845 111.5 50.9 -89.7 -38.3 4.0 21.4 -60.3 56 59 A Q H X>S+ 0 0 24 -4,-2.0 4,-1.3 2,-0.2 5,-0.6 0.767 115.5 46.4 -70.2 -24.8 6.8 20.8 -62.9 57 60 A A H <5S+ 0 0 76 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.920 112.7 48.3 -79.0 -49.3 7.6 24.5 -62.5 58 61 A A H <5S+ 0 0 14 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.921 123.9 32.4 -56.3 -48.1 7.5 24.4 -58.7 59 62 A M H <5S- 0 0 2 -4,-2.9 -47,-0.2 2,-0.1 -1,-0.2 0.783 103.9-131.4 -80.4 -34.7 9.7 21.3 -58.6 60 63 A G T <5S+ 0 0 42 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.718 70.8 69.5 91.4 21.7 11.8 22.1 -61.7 61 64 A F S - 0 0 90 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 -0.751 19.9-145.6 -84.8 124.6 9.2 16.7 -65.6 63 66 A I T 3 S+ 0 0 3 -2,-0.5 6,-0.7 1,-0.3 -1,-0.1 0.697 98.9 57.8 -64.5 -19.5 9.0 13.2 -64.0 64 67 A D T 3 S+ 0 0 91 4,-0.1 -1,-0.3 5,-0.1 2,-0.3 0.360 85.2 111.5 -92.3 6.4 8.5 11.7 -67.5 65 68 A D S X S- 0 0 78 -3,-1.7 3,-2.5 1,-0.1 4,-0.4 -0.597 85.2 -75.3 -85.6 144.2 11.8 13.1 -68.7 66 69 A K T 3 S- 0 0 170 1,-0.3 -1,-0.1 -2,-0.3 -4,-0.1 0.060 112.7 -3.3 -36.0 125.2 14.8 10.9 -69.5 67 70 A G T 3> S+ 0 0 19 -3,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.353 99.7 110.3 70.1 -4.1 16.6 9.6 -66.3 68 71 A M H <> S+ 0 0 15 -3,-2.5 4,-2.2 2,-0.2 5,-0.1 0.996 86.7 30.1 -64.6 -63.3 14.4 11.5 -63.8 69 72 A A H > S+ 0 0 1 -6,-0.7 4,-3.3 -4,-0.4 5,-0.3 0.887 119.1 55.6 -64.1 -42.3 12.5 8.5 -62.3 70 73 A P H > S+ 0 0 60 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.925 112.4 43.5 -57.7 -40.2 15.3 6.1 -62.9 71 74 A A H X S+ 0 0 12 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.900 114.7 50.3 -68.1 -43.1 17.6 8.4 -60.9 72 75 A L H X S+ 0 0 11 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.891 112.9 44.9 -63.6 -42.4 14.9 9.0 -58.3 73 76 A R H X S+ 0 0 60 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.782 110.3 55.0 -75.8 -24.9 14.3 5.2 -57.8 74 77 A H H X S+ 0 0 110 -4,-1.6 4,-1.3 -5,-0.3 -2,-0.2 0.912 106.9 52.5 -69.7 -40.9 18.1 4.6 -57.7 75 78 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 3,-0.5 0.919 106.2 52.2 -59.5 -48.4 18.3 7.1 -54.9 76 79 A Y H X S+ 0 0 61 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.883 108.3 50.4 -56.6 -42.5 15.6 5.3 -52.9 77 80 A K H < S+ 0 0 115 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 108.9 54.7 -67.2 -26.8 17.3 2.0 -53.1 78 81 A E H >< S+ 0 0 57 -4,-1.3 3,-1.0 -3,-0.5 -2,-0.2 0.897 110.0 43.5 -72.2 -45.5 20.5 3.7 -51.9 79 82 A L H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 9,-0.2 0.861 116.0 48.9 -68.2 -37.8 18.9 5.1 -48.8 80 83 A M T 3< S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.136 90.1 120.4 -90.7 21.1 17.1 1.8 -48.1 81 84 A G S X S- 0 0 19 -3,-1.0 3,-0.6 -5,-0.1 -3,-0.1 0.068 84.6 -83.6 -70.9-172.6 20.4 -0.2 -48.6 82 85 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.585 121.2 66.8 -72.6 -13.8 22.0 -2.4 -45.9 83 86 A W T 3 S+ 0 0 44 1,-0.1 2,-1.2 2,-0.1 -3,-0.1 0.773 78.0 92.0 -75.6 -30.8 23.9 0.5 -44.1 84 87 A N < - 0 0 18 -3,-0.6 2,-1.5 1,-0.1 -1,-0.1 -0.581 63.0-167.4 -68.2 96.1 20.5 1.8 -43.0 85 88 A K - 0 0 112 -2,-1.2 -1,-0.1 1,-0.2 -2,-0.1 -0.362 69.3 -67.6 -85.9 55.5 20.2 0.1 -39.7 86 89 A D S S+ 0 0 100 -2,-1.5 3,-0.2 2,-0.2 -1,-0.2 0.857 103.0 130.3 62.3 35.9 16.6 1.1 -39.4 87 90 A E S S+ 0 0 3 1,-0.3 82,-2.6 81,-0.1 2,-0.5 0.884 72.3 29.2 -85.2 -37.9 17.6 4.6 -39.0 88 91 A I E +I 168 0B 1 80,-0.2 2,-0.4 -9,-0.2 -1,-0.3 -0.950 65.0 175.9-132.7 114.2 15.2 5.9 -41.7 89 92 A S E +I 167 0B 16 78,-1.6 78,-1.8 -2,-0.5 2,-0.3 -0.960 16.3 170.2-115.4 130.1 11.9 4.2 -42.5 90 93 A T E -I 166 0B 8 -2,-0.4 2,-0.3 76,-0.2 76,-0.2 -0.888 19.2-172.0-138.6 169.9 9.5 5.9 -45.0 91 94 A T E -I 165 0B 7 74,-1.5 74,-2.0 -2,-0.3 2,-0.4 -0.918 6.1-163.4-166.1 133.5 6.4 5.5 -47.1 92 95 A D E +I 164 0B 34 -2,-0.3 2,-0.4 72,-0.2 72,-0.2 -0.983 18.7 179.7-122.5 127.0 4.6 7.4 -49.9 93 96 A A E -I 163 0B 3 70,-2.3 70,-1.9 -2,-0.4 2,-0.5 -0.982 21.1-166.7-139.9 135.8 1.0 6.8 -50.8 94 97 A I E -I 162 0B 2 -2,-0.4 25,-2.2 23,-0.3 2,-0.6 -0.960 14.9-164.5-116.4 115.8 -1.6 8.0 -53.3 95 98 A F E +Ij 161 119B 2 66,-2.5 66,-2.3 -2,-0.5 2,-0.3 -0.911 10.9 176.4-105.9 120.8 -5.2 6.9 -52.5 96 99 A V E -Ij 160 120B 0 23,-2.9 25,-2.5 -2,-0.6 2,-0.3 -0.789 43.1 -85.6-118.1 159.4 -7.9 7.3 -55.2 97 100 A Q E > - j 0 121B 8 62,-1.5 3,-1.0 -2,-0.3 25,-0.2 -0.542 32.9-147.4 -65.2 125.1 -11.5 6.3 -55.3 98 101 A R T 3 S+ 0 0 146 23,-2.3 24,-0.2 -2,-0.3 -1,-0.2 0.816 96.5 60.2 -63.3 -33.8 -11.7 2.7 -56.4 99 102 A D T 3 S+ 0 0 135 22,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.701 85.1 108.6 -66.8 -20.7 -15.0 3.1 -58.2 100 103 A L S < S- 0 0 34 -3,-1.0 2,-0.7 1,-0.1 210,-0.1 -0.347 76.0-122.4 -64.6 131.9 -13.3 5.7 -60.4 101 104 A K - 0 0 135 208,-0.3 208,-0.5 -2,-0.1 207,-0.2 -0.653 34.0-150.0 -77.3 112.8 -12.6 4.8 -64.0 102 105 A L - 0 0 48 -2,-0.7 205,-0.3 205,-0.1 2,-0.2 -0.433 20.2 -93.5 -86.1 159.4 -8.9 5.1 -64.5 103 106 A V > - 0 0 36 203,-1.5 3,-2.0 1,-0.1 2,-0.6 -0.476 48.1 -97.1 -72.1 139.5 -7.0 6.1 -67.7 104 107 A Q T 3 S+ 0 0 198 1,-0.3 -1,-0.1 -2,-0.2 203,-0.0 -0.411 108.9 7.9 -58.5 104.1 -5.8 3.2 -69.9 105 108 A G T 3> S+ 0 0 37 -2,-0.6 4,-1.6 -3,-0.0 -1,-0.3 0.495 91.4 111.5 103.3 3.9 -2.2 2.7 -68.9 106 109 A F H <> S+ 0 0 6 -3,-2.0 4,-2.9 2,-0.2 5,-0.2 0.924 82.5 43.7 -74.5 -48.5 -1.7 5.0 -65.8 107 110 A M H > S+ 0 0 48 -4,-0.5 4,-2.1 2,-0.2 5,-0.2 0.920 116.8 46.5 -63.0 -47.0 -1.3 2.2 -63.2 108 111 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.952 117.0 44.8 -59.4 -48.5 1.1 0.2 -65.4 109 112 A H H X S+ 0 0 52 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.894 110.7 53.4 -62.4 -44.6 3.1 3.3 -66.3 110 113 A F H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.904 109.9 48.8 -58.9 -43.0 3.2 4.5 -62.7 111 114 A F H X S+ 0 0 97 -4,-2.1 4,-3.7 1,-0.2 -2,-0.2 0.943 108.5 52.3 -63.4 -48.2 4.6 1.2 -61.5 112 115 A R H < S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.7 42.2 -56.4 -37.8 7.3 1.1 -64.2 113 116 A L H < S+ 0 0 15 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.925 135.0 14.7 -76.3 -44.9 8.4 4.6 -63.2 114 117 A F H < S- 0 0 23 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.582 87.5-130.7-107.7 -13.8 8.2 4.2 -59.4 115 118 A R S < S+ 0 0 121 -4,-3.7 2,-0.3 -5,-0.4 -4,-0.2 0.905 81.1 95.5 59.0 39.5 8.0 0.4 -58.9 116 119 A S S S- 0 0 57 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.3 -0.904 70.1-125.4-146.9 167.2 5.1 1.3 -56.6 117 120 A T - 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