==== 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 HYDROLASE INHIBITOR 11-MAR-99 9PAI . COMPND 2 MOLECULE: PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) RESID . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.AERTGEERTS,H.L.DE BONDT,C.J.DE RANTER,P.J.DECLERCK . 379 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 34 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 PARALLEL BRIDGES PER LADDER . 3 2 1 0 0 4 2 3 0 1 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 1 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 19 A V 0 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.6 110.6 -6.5 34.5 2 20 A H - 0 0 163 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.130 360.0 -75.7 -57.3 154.0 107.8 -4.9 32.4 3 21 A H >> - 0 0 91 1,-0.1 3,-1.0 3,-0.1 4,-0.9 -0.328 47.8-131.6 -52.8 118.4 106.9 -1.3 32.8 4 22 A P H >> S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 3,-1.0 0.850 101.3 48.5 -42.7 -56.0 104.8 -1.2 36.1 5 23 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.793 108.1 57.4 -61.5 -27.1 101.8 0.8 34.9 6 24 A S H <> S+ 0 0 32 -3,-1.0 4,-1.0 2,-0.2 -3,-0.1 0.727 108.1 47.0 -74.5 -23.9 101.5 -1.4 31.8 7 25 A Y H X S+ 0 0 0 -4,-2.2 4,-1.4 47,-0.2 3,-0.9 0.949 114.3 48.1 -55.6 -48.5 89.0 -7.7 34.9 16 34 A G H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.862 107.9 53.3 -61.2 -40.0 86.9 -5.1 33.1 17 35 A V H 3X S+ 0 0 0 -4,-3.4 4,-0.8 1,-0.2 -1,-0.3 0.694 110.2 49.5 -69.3 -18.9 86.7 -7.1 29.9 18 36 A R H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 3,-1.0 0.893 106.3 55.4 -75.5 -43.4 82.8 -7.9 33.7 20 38 A F H 3X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.3 5,-0.2 0.895 101.0 59.9 -53.4 -44.0 81.6 -6.7 30.3 21 39 A Q H 3X S+ 0 0 28 -4,-0.8 4,-1.6 1,-0.2 -1,-0.3 0.793 106.1 46.4 -56.4 -34.2 81.1 -10.3 29.3 22 40 A Q H - 0 0 0 338,-0.3 4,-1.3 -2,-0.3 338,-0.2 -0.928 13.9-176.7-125.4 100.2 83.9 0.9 30.6 36 54 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.966 89.9 48.6 -58.5 -49.6 86.3 -1.9 31.6 37 55 A Y H > S+ 0 0 1 334,-1.4 4,-1.8 335,-0.3 335,-0.1 0.864 104.2 61.9 -57.9 -41.1 88.7 0.6 33.2 38 56 A G H > S+ 0 0 0 334,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.867 104.2 45.0 -54.9 -45.2 85.8 2.3 35.1 39 57 A V H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.5 -1,-0.2 0.871 109.5 57.2 -68.8 -37.7 84.8 -0.8 37.2 40 58 A A H X S+ 0 0 3 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.879 101.4 57.6 -61.0 -38.5 88.4 -1.6 38.0 41 59 A S H X S+ 0 0 2 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.893 110.6 39.1 -61.2 -46.2 89.0 1.9 39.5 42 60 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.805 113.2 55.0 -75.9 -31.7 86.2 1.7 42.2 43 61 A L H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.873 104.5 54.4 -69.5 -34.0 86.8 -2.0 43.0 44 62 A A H < S+ 0 0 2 -4,-1.9 4,-0.5 2,-0.2 3,-0.2 0.926 110.8 46.6 -62.1 -43.1 90.5 -1.2 43.7 45 63 A M H >X S+ 0 0 0 -4,-1.2 3,-1.4 1,-0.2 4,-0.9 0.902 108.3 55.6 -64.5 -41.0 89.2 1.5 46.2 46 64 A L H 3X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.812 91.1 74.0 -62.5 -29.9 86.8 -1.0 47.6 47 65 A Q H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.775 99.5 45.8 -54.3 -29.8 89.7 -3.4 48.3 48 66 A L H <4 S+ 0 0 11 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.842 109.6 51.2 -82.8 -37.3 90.7 -1.1 51.2 49 67 A T H < S+ 0 0 0 -4,-0.9 260,-1.0 -3,-0.2 259,-0.8 0.750 106.3 67.4 -73.2 -23.0 87.2 -0.6 52.8 50 68 A T < + 0 0 0 -4,-1.8 256,-0.3 258,-0.2 2,-0.3 -0.500 58.8 178.0-100.1 166.7 86.6 -4.3 52.9 51 69 A G >> + 0 0 4 254,-2.0 4,-1.5 -2,-0.2 3,-0.9 -0.865 40.7 26.2-151.6-177.4 88.0 -7.3 54.8 52 70 A G H 3> S- 0 0 43 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.208 121.8 -20.0 58.3-142.5 87.8 -11.0 55.5 53 71 A E H 3> S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.811 136.4 63.2 -68.0 -31.0 86.5 -13.2 52.8 54 72 A T H <> S+ 0 0 2 -3,-0.9 4,-1.5 249,-0.2 3,-0.4 0.973 107.0 42.5 -57.4 -54.0 84.7 -10.2 51.2 55 73 A Q H X S+ 0 0 41 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.871 112.1 54.9 -60.3 -41.6 88.1 -8.5 50.5 56 74 A Q H X S+ 0 0 130 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.835 103.8 54.2 -62.1 -36.7 89.7 -11.8 49.4 57 75 A Q H X S+ 0 0 33 -4,-2.0 4,-2.8 -3,-0.4 -1,-0.2 0.913 107.9 49.7 -64.2 -44.3 87.0 -12.4 46.7 58 76 A I H X S+ 0 0 1 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.881 112.7 46.8 -62.0 -40.0 87.6 -9.0 45.1 59 77 A Q H X>S+ 0 0 15 -4,-1.8 4,-2.2 2,-0.2 5,-0.6 0.851 112.5 50.1 -73.4 -30.5 91.3 -9.6 45.0 60 78 A A H <5S+ 0 0 82 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.929 115.2 44.0 -70.1 -44.8 90.8 -13.1 43.6 61 79 A A H <5S+ 0 0 7 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.978 118.1 42.1 -63.5 -59.0 88.4 -11.7 40.9 62 80 A M H <5S- 0 0 1 -4,-2.9 -47,-0.2 -5,-0.2 -2,-0.2 0.890 104.0-129.4 -58.0 -43.7 90.6 -8.7 40.0 63 81 A G T <5S+ 0 0 41 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.562 73.7 53.3 103.7 10.2 93.8 -10.6 40.0 64 82 A F S - 0 0 98 -2,-0.3 3,-0.5 1,-0.1 6,-0.1 -0.956 9.7-149.3-114.5 124.4 96.0 -6.6 45.7 66 84 A I T 3 S+ 0 0 1 -2,-0.5 6,-0.3 1,-0.2 -1,-0.1 0.579 99.0 60.8 -64.8 -6.4 96.0 -2.8 45.9 67 85 A D T 3 S+ 0 0 75 4,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.873 81.7 99.6 -86.4 -45.2 98.1 -3.3 49.1 68 86 A D S X> S- 0 0 90 -3,-0.5 3,-0.9 1,-0.1 4,-0.6 0.310 87.1 -64.7 -39.0 169.3 101.2 -5.1 47.7 69 87 A K T 34 S- 0 0 206 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.375 114.3 -7.5 -67.5 132.5 104.5 -3.6 46.9 70 88 A G T 3> S+ 0 0 45 -3,-0.1 4,-1.1 -2,-0.1 -1,-0.2 0.381 103.3 112.8 63.9 -1.0 104.7 -1.0 44.1 71 89 A M H <> S+ 0 0 20 -3,-0.9 4,-1.2 2,-0.2 -2,-0.1 0.906 76.5 38.3 -67.9 -51.0 101.1 -1.8 43.2 72 90 A A H X S+ 0 0 6 -4,-0.6 4,-1.5 -6,-0.3 -1,-0.2 0.888 113.9 53.8 -70.9 -41.9 99.4 1.5 44.2 73 91 A P H > S+ 0 0 47 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.850 108.7 52.7 -61.7 -29.5 102.2 3.8 43.0 74 92 A A H X S+ 0 0 5 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.836 104.9 52.8 -71.9 -37.5 101.9 2.0 39.6 75 93 A L H X S+ 0 0 10 -4,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.803 109.5 51.8 -67.9 -28.2 98.2 2.7 39.4 76 94 A R H X S+ 0 0 56 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.824 106.0 51.1 -77.3 -34.0 99.0 6.3 40.0 77 95 A H H X S+ 0 0 107 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.766 107.7 56.8 -72.6 -24.0 101.6 6.5 37.2 78 96 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.898 102.4 52.5 -71.2 -43.7 98.9 5.0 35.0 79 97 A Y H X S+ 0 0 29 -4,-1.3 4,-1.4 1,-0.2 14,-0.2 0.916 114.6 45.6 -57.6 -40.4 96.5 7.9 35.9 80 98 A K H < S+ 0 0 108 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.916 109.5 48.9 -69.9 -50.1 99.3 10.2 34.8 81 99 A E H >< S+ 0 0 55 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.857 112.7 52.9 -61.1 -32.3 100.4 8.6 31.5 82 100 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 113.2 41.2 -70.4 -38.1 96.7 8.5 30.5 83 101 A M T 3< S+ 0 0 80 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.136 86.2 127.7 -98.7 19.0 96.1 12.2 31.2 84 102 A G X - 0 0 7 -3,-0.8 3,-1.9 -4,-0.2 4,-0.1 -0.562 64.8-130.1 -80.1 141.5 99.4 13.4 29.7 85 103 A P G > S+ 0 0 117 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.727 101.6 76.9 -58.5 -22.6 99.3 16.2 27.0 86 104 A W G 3 S+ 0 0 176 1,-0.3 3,-0.0 2,-0.1 -5,-0.0 0.616 81.5 67.0 -64.4 -14.8 101.6 14.1 24.9 87 105 A N G < S- 0 0 2 -3,-1.9 2,-3.4 2,-0.2 145,-0.4 0.566 87.2-152.8 -81.6 -10.6 98.6 11.9 24.0 88 106 A K S < S+ 0 0 141 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.1 -0.121 73.9 87.8 64.3 -42.6 97.1 14.8 22.0 89 107 A D S S- 0 0 4 -2,-3.4 2,-0.4 -5,-0.1 84,-0.2 -0.715 86.9-119.9 -86.4 131.5 93.7 13.2 22.8 90 108 A E E +I 172 0B 80 82,-1.2 82,-2.5 -2,-0.4 2,-0.3 -0.593 33.3 174.2 -81.9 128.6 92.2 14.2 26.1 91 109 A I E -I 171 0B 8 -2,-0.4 80,-0.2 80,-0.2 2,-0.2 -0.942 6.6-176.0-127.6 150.0 91.5 11.8 29.0 92 110 A S + 0 0 21 78,-2.1 2,-0.3 -2,-0.3 78,-0.3 -0.701 5.2 173.7-153.9 94.6 90.3 12.6 32.5 93 111 A T + 0 0 9 76,-0.2 2,-0.3 -2,-0.2 76,-0.2 -0.794 6.5 171.0-102.4 142.7 89.9 10.0 35.2 94 112 A T E -J 168 0C 33 74,-0.5 74,-2.4 -2,-0.3 2,-0.3 -0.958 14.9-158.8-153.6 133.0 89.0 10.9 38.8 95 113 A D E +J 167 0C 8 -2,-0.3 25,-1.5 72,-0.2 2,-0.3 -0.848 13.4 178.6-112.8 150.9 88.0 8.8 41.8 96 114 A A E -Jk 166 120C 0 70,-2.2 70,-2.0 -2,-0.3 2,-0.4 -0.981 15.8-153.2-148.8 157.1 86.2 10.0 44.9 97 115 A I E -Jk 165 121C 1 23,-1.3 25,-2.5 -2,-0.3 2,-0.5 -1.000 4.4-163.0-137.3 129.7 84.9 8.6 48.2 98 116 A F E +Jk 164 122C 5 66,-2.2 66,-2.0 -2,-0.4 2,-0.3 -0.973 16.0 179.7-116.3 117.2 82.0 10.0 50.2 99 117 A V E -Jk 163 123C 7 23,-2.1 25,-1.9 -2,-0.5 2,-0.4 -0.899 36.9-103.1-119.6 150.8 81.7 8.8 53.8 100 118 A Q E > - 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