==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDOLASE INHIBITOR 17-APR-12 4AQH . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.FJELLSTROM,J.DEINUM,T.SJOGREN,C.JOHANSSON,S.GESCHWINDNER,V . 1147 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 302 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 93 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 3 0 1 5 0 3 0 3 3 3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 0 PARALLEL BRIDGES PER LADDER . 6 0 3 0 1 8 5 4 0 8 4 0 0 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 3 0 3 0 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 -2 A S 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.2 -4.7 0.4 -10.3 2 -1 A H + 0 0 159 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.567 360.0 36.0 -69.7 -12.7 -3.6 2.4 -7.2 3 0 A M S S+ 0 0 180 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.596 113.2 54.8-118.0 -19.4 -3.8 5.7 -9.1 4 1 A V + 0 0 119 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.990 62.5 173.0-127.4 124.2 -6.8 5.3 -11.5 5 2 A H - 0 0 79 -2,-0.4 5,-0.0 -3,-0.1 -3,-0.0 -0.988 34.4-131.8-136.5 143.4 -10.3 4.3 -10.3 6 3 A H >> - 0 0 112 -2,-0.4 4,-0.9 1,-0.2 3,-0.6 -0.804 30.3-141.7 -86.2 115.3 -13.7 3.9 -11.8 7 4 A P G >4 S+ 0 0 51 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.889 94.4 46.7 -59.5 -48.7 -15.8 5.8 -9.3 8 5 A P G >4 S+ 0 0 10 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.885 113.4 51.1 -55.9 -33.7 -18.9 3.6 -9.2 9 6 A S G <4 S+ 0 0 97 -3,-0.6 3,-0.1 1,-0.2 64,-0.0 0.634 115.5 43.9 -75.1 -10.0 -16.7 0.5 -8.9 10 7 A Y G S+ 0 0 10 -3,-1.1 4,-3.0 -4,-0.3 5,-0.3 0.825 73.1 57.6 -60.6 -39.1 -17.9 3.6 -4.1 12 9 A A H > S+ 0 0 12 -4,-0.2 4,-2.2 1,-0.2 361,-0.3 0.929 112.0 42.1 -54.2 -48.0 -17.5 1.4 -1.0 13 10 A H H > S+ 0 0 42 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.877 115.2 50.0 -69.2 -35.1 -13.9 2.7 -0.6 14 11 A L H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.936 113.2 44.5 -70.1 -50.5 -14.9 6.3 -1.3 15 12 A A H X S+ 0 0 12 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.880 115.4 49.5 -56.2 -45.9 -17.8 6.3 1.2 16 13 A S H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.866 110.7 50.1 -63.7 -37.2 -15.6 4.6 3.8 17 14 A D H X S+ 0 0 47 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.858 111.3 47.9 -71.3 -36.4 -12.8 7.1 3.2 18 15 A F H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.898 112.3 49.5 -67.6 -41.4 -15.1 10.0 3.6 19 16 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.858 108.9 52.1 -70.4 -38.9 -16.6 8.5 6.8 20 17 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.943 105.7 55.1 -57.2 -47.4 -13.2 7.9 8.3 21 18 A R H X S+ 0 0 62 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.792 105.7 52.7 -59.0 -29.5 -12.2 11.5 7.6 22 19 A V H X S+ 0 0 0 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.900 106.3 53.4 -72.4 -41.4 -15.3 12.6 9.6 23 20 A F H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.859 103.9 56.5 -57.1 -40.3 -14.2 10.4 12.5 24 21 A Q H X S+ 0 0 27 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.923 105.7 50.8 -59.0 -41.4 -10.8 12.1 12.4 25 22 A Q H < S+ 0 0 37 -4,-1.3 4,-0.5 2,-0.2 -1,-0.2 0.862 111.6 47.1 -63.5 -36.8 -12.5 15.4 13.0 26 23 A V H >X S+ 0 0 2 -4,-1.5 4,-0.6 2,-0.2 3,-0.5 0.896 115.4 45.6 -71.6 -40.8 -14.4 14.0 15.9 27 24 A A H >< S+ 0 0 11 -4,-3.0 3,-0.8 1,-0.2 6,-0.3 0.864 109.3 55.3 -67.9 -37.4 -11.2 12.5 17.3 28 25 A Q T 3< S+ 0 0 100 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.605 97.9 65.9 -73.2 -14.4 -9.2 15.7 16.8 29 26 A A T <4 S+ 0 0 75 -3,-0.5 2,-0.3 -4,-0.5 -1,-0.2 0.809 112.4 22.3 -76.5 -33.1 -11.7 17.7 18.8 30 27 A S S X< S- 0 0 21 -3,-0.8 3,-0.8 -4,-0.6 2,-0.4 -0.995 83.6-115.7-138.0 137.8 -11.0 15.9 22.1 31 28 A K T 3 S- 0 0 119 -2,-0.3 -3,-0.1 1,-0.2 328,-0.0 -0.587 92.4 -7.7 -76.9 124.9 -7.9 14.0 23.3 32 29 A D T 3 S- 0 0 44 -2,-0.4 326,-2.5 1,-0.2 -1,-0.2 0.731 86.2-178.6 65.6 26.9 -8.2 10.3 24.1 33 30 A R B < -A 357 0A 5 -3,-0.8 2,-0.9 -6,-0.3 324,-0.3 -0.325 27.0-136.9 -61.5 131.1 -12.0 10.5 23.6 34 31 A N + 0 0 7 322,-2.9 322,-0.5 343,-0.1 2,-0.3 -0.846 50.1 146.3 -91.0 107.4 -13.7 7.2 24.2 35 32 A V E -B 378 0B 0 343,-1.2 343,-2.3 -2,-0.9 2,-0.4 -0.975 41.4-146.9-145.2 148.4 -16.1 7.2 21.3 36 33 A V E +B 377 0B 2 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.979 25.7 177.9-118.9 141.3 -17.8 4.8 18.9 37 34 A F E -B 376 0B 0 339,-3.3 339,-2.5 -2,-0.4 289,-0.0 -0.934 28.2-140.7-142.3 154.8 -18.6 5.8 15.3 38 35 A S > - 0 0 0 -2,-0.3 4,-1.6 337,-0.2 5,-0.2 -0.861 10.2-177.0-119.3 98.0 -20.1 4.6 12.0 39 36 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 335,-0.2 0.882 90.0 50.8 -54.4 -37.0 -18.3 5.9 8.9 40 37 A Y H > S+ 0 0 25 333,-0.9 4,-1.9 334,-0.4 5,-0.1 0.851 105.8 55.5 -71.3 -36.3 -20.9 4.1 6.7 41 38 A G H > S+ 0 0 0 333,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.855 110.5 43.3 -65.1 -37.8 -23.8 5.6 8.6 42 39 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.870 112.3 53.8 -76.3 -36.5 -22.6 9.2 8.0 43 40 A A H X S+ 0 0 4 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.878 106.8 52.2 -62.6 -38.2 -21.7 8.5 4.3 44 41 A S H X S+ 0 0 9 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.911 112.4 44.1 -64.7 -44.4 -25.3 7.1 3.7 45 42 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.902 115.1 48.1 -70.5 -40.6 -27.0 10.3 5.1 46 43 A L H X S+ 0 0 1 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.858 107.9 54.6 -72.0 -33.9 -24.7 12.6 3.3 47 44 A A H X S+ 0 0 5 -4,-2.2 4,-0.6 -5,-0.2 3,-0.4 0.905 108.8 49.6 -58.7 -42.0 -25.2 10.7 0.1 48 45 A M H >X S+ 0 0 1 -4,-1.8 3,-1.7 1,-0.2 4,-1.2 0.905 104.8 58.1 -61.6 -42.5 -28.9 11.3 0.6 49 46 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.792 95.8 63.6 -58.7 -27.5 -28.1 14.9 1.2 50 47 A Q H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.756 105.7 45.9 -65.2 -24.9 -26.6 14.9 -2.3 51 48 A L H << S+ 0 0 12 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.747 117.4 42.6 -85.6 -25.9 -30.1 14.2 -3.7 52 49 A T H < S+ 0 0 0 -4,-1.2 260,-0.9 260,-0.1 259,-0.6 0.807 104.8 65.5 -94.2 -35.0 -31.8 16.8 -1.5 53 50 A T < - 0 0 0 -4,-2.5 256,-0.3 258,-0.2 2,-0.3 -0.398 60.0-172.1 -85.6 169.0 -29.5 19.8 -1.8 54 51 A G >> + 0 0 2 254,-3.0 4,-0.7 -2,-0.1 3,-0.7 -0.898 45.6 17.7-148.9 172.7 -28.6 21.9 -4.9 55 52 A G H 3> S- 0 0 44 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.262 124.6 -17.7 64.0-144.8 -26.3 24.6 -6.0 56 53 A E H 3> S+ 0 0 118 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.879 135.2 64.4 -62.8 -38.1 -23.2 25.3 -3.8 57 54 A T H <> S+ 0 0 0 -3,-0.7 4,-1.0 249,-0.3 -1,-0.2 0.901 111.0 36.8 -52.5 -40.4 -24.8 23.5 -1.0 58 55 A Q H X S+ 0 0 48 -4,-0.7 4,-2.8 -3,-0.4 5,-0.2 0.888 114.0 56.8 -78.4 -43.7 -24.6 20.3 -3.1 59 56 A Q H X S+ 0 0 116 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 106.3 50.2 -46.2 -57.8 -21.2 21.2 -4.7 60 57 A Q H X S+ 0 0 31 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.847 112.5 47.3 -53.6 -42.8 -19.6 21.5 -1.2 61 58 A I H X S+ 0 0 0 -4,-1.0 4,-2.3 -5,-0.3 5,-0.3 0.944 111.0 48.6 -67.9 -48.4 -21.0 18.0 -0.3 62 59 A Q H X>S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 5,-1.1 0.869 110.7 55.1 -57.8 -37.6 -19.9 16.2 -3.5 63 60 A A H <5S+ 0 0 75 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.949 110.1 42.3 -60.0 -55.2 -16.5 17.8 -3.0 64 61 A A H <5S+ 0 0 10 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 117.4 46.2 -61.5 -41.0 -15.9 16.5 0.5 65 62 A M H <5S- 0 0 1 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.851 102.7-139.2 -71.6 -33.9 -17.3 13.0 -0.2 66 63 A G T <5 + 0 0 45 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.770 69.7 64.3 82.2 29.4 -15.2 13.0 -3.4 67 64 A F S - 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