==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR/HYDROLASE 20-OCT-10 3PB1 . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.LIN,L.JIANG,M.HUANG . 620 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 54 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 1 1 0 2 0 1 2 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 0 0 0 0 1 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 3 3 4 1 6 3 1 1 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 1 0 1 0 1 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 5 I P > 0 0 109 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -76.8 5.7 4.2 24.4 2 6 I S H > + 0 0 75 2,-0.2 4,-2.1 1,-0.1 5,-0.1 0.777 360.0 63.4 -61.4 -26.9 8.6 5.6 26.5 3 7 I Y H > S+ 0 0 143 2,-0.2 4,-2.6 1,-0.2 3,-0.2 0.966 103.2 39.1 -66.4 -58.2 9.5 1.9 26.4 4 8 I V H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.812 114.6 57.4 -68.0 -25.8 10.1 1.4 22.7 5 9 I A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 361,-0.3 0.884 107.5 47.2 -64.0 -40.2 11.7 4.8 22.7 6 10 I H H X S+ 0 0 86 -4,-2.1 4,-3.4 -3,-0.2 5,-0.2 0.968 115.6 45.3 -63.1 -50.8 14.2 3.5 25.3 7 11 I L H X S+ 0 0 24 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.882 114.4 47.1 -62.3 -43.4 14.8 0.3 23.3 8 12 I A H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.937 116.2 45.4 -62.8 -45.7 15.2 2.2 19.9 9 13 I S H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.931 111.4 51.4 -65.4 -48.3 17.5 4.7 21.5 10 14 I D H X S+ 0 0 43 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.929 114.8 44.5 -49.9 -50.5 19.6 2.1 23.4 11 15 I F H X S+ 0 0 0 -4,-2.2 4,-1.5 47,-0.2 -2,-0.2 0.937 113.6 48.5 -63.4 -47.9 20.0 0.2 20.1 12 16 I G H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.810 108.8 52.8 -66.3 -33.1 20.8 3.3 18.0 13 17 I V H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.910 105.2 56.1 -67.0 -39.9 23.4 4.6 20.4 14 18 I R H X S+ 0 0 72 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.876 108.9 47.2 -57.9 -38.5 25.1 1.2 20.3 15 19 I V H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 3,-0.2 0.924 107.7 56.9 -69.2 -45.3 25.3 1.6 16.5 16 20 I F H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.907 104.2 51.1 -50.4 -49.5 26.6 5.1 16.8 17 21 I Q H X S+ 0 0 36 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.858 106.0 55.9 -66.4 -29.2 29.6 4.1 19.0 18 22 I Q H X S+ 0 0 35 -4,-1.2 4,-1.1 -3,-0.2 -1,-0.2 0.908 113.6 41.0 -61.4 -40.4 30.5 1.4 16.4 19 23 I V H < S+ 0 0 10 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.914 115.9 49.8 -73.6 -40.1 30.7 4.2 13.8 20 24 I A H >< S+ 0 0 2 -4,-3.2 3,-1.0 1,-0.2 6,-0.2 0.890 110.6 50.0 -62.5 -41.4 32.4 6.7 16.2 21 25 I Q H >< S+ 0 0 87 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.801 107.3 54.5 -69.2 -29.3 35.0 4.0 17.1 22 26 I A T 3< S+ 0 0 87 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.440 115.9 38.7 -85.7 -1.3 35.7 3.3 13.4 23 27 I S T X S+ 0 0 36 -3,-1.0 3,-1.9 -4,-0.3 -1,-0.2 -0.375 71.0 170.5-141.9 65.6 36.5 7.0 12.7 24 28 I K T < S+ 0 0 118 -3,-0.5 219,-0.1 1,-0.3 -1,-0.1 0.771 78.4 29.0 -48.5 -43.2 38.3 8.2 15.8 25 29 I D T 3 S+ 0 0 92 2,-0.1 2,-0.4 162,-0.0 -1,-0.3 0.129 101.8 97.1-113.0 24.2 39.4 11.7 14.5 26 30 I R S < S- 0 0 175 -3,-1.9 345,-0.1 -6,-0.2 -3,-0.1 -0.868 77.0-106.6-114.0 143.7 36.6 12.5 12.0 27 31 I N - 0 0 53 -2,-0.4 2,-0.3 347,-0.1 345,-0.2 -0.395 43.2-177.2 -55.1 138.2 33.4 14.5 12.3 28 32 I V E -A 371 0A 2 343,-1.9 343,-1.5 -2,-0.1 2,-0.4 -0.979 18.2-177.5-145.2 131.0 30.3 12.2 12.5 29 33 I V E +A 370 0A 0 -2,-0.3 2,-0.3 341,-0.2 291,-0.3 -0.981 19.7 163.8-120.1 147.5 26.6 12.9 12.7 30 34 I F E -A 369 0A 0 339,-2.2 339,-2.5 -2,-0.4 -2,-0.0 -0.960 34.1-128.9-156.6 156.1 24.2 10.0 13.0 31 35 I S > - 0 0 0 -2,-0.3 4,-2.0 337,-0.2 337,-0.2 -0.930 13.0-175.1-118.2 107.2 20.6 9.2 14.0 32 36 I P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 335,-0.2 0.883 91.2 50.5 -61.5 -38.5 20.1 6.5 16.6 33 37 I Y H > S+ 0 0 12 333,-1.0 4,-2.7 334,-0.2 334,-0.1 0.928 108.6 51.5 -64.5 -46.1 16.3 6.8 16.1 34 38 I G H > S+ 0 0 1 333,-0.4 4,-2.5 2,-0.2 5,-0.3 0.919 109.8 47.3 -57.6 -49.9 16.5 6.5 12.3 35 39 I V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.896 113.7 48.2 -64.5 -38.5 18.6 3.4 12.3 36 40 I A H X S+ 0 0 2 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.927 111.0 53.6 -61.5 -42.8 16.3 1.7 14.8 37 41 I S H X S+ 0 0 19 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.936 111.0 41.7 -62.0 -51.7 13.3 2.8 12.7 38 42 I V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.832 114.0 52.5 -65.4 -34.2 14.5 1.3 9.4 39 43 I L H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.787 103.7 56.8 -76.2 -24.9 15.7 -1.9 11.1 40 44 I A H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.882 110.0 46.3 -65.6 -39.6 12.3 -2.4 12.8 41 45 I M H >< S+ 0 0 11 -4,-1.4 3,-1.3 1,-0.2 4,-0.4 0.929 109.7 53.1 -64.6 -49.6 10.7 -2.3 9.3 42 46 I L H >X S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 4,-0.6 0.822 93.9 72.7 -57.3 -35.0 13.3 -4.7 7.9 43 47 I Q H >< S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.866 91.4 57.8 -44.7 -41.9 12.5 -7.2 10.7 44 48 I L T << S+ 0 0 8 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.752 103.8 52.2 -67.0 -23.5 9.2 -7.9 9.0 45 49 I T T <4 S+ 0 0 0 -3,-1.7 260,-1.1 -4,-0.4 259,-0.7 0.527 99.5 83.8 -86.5 -9.2 11.1 -9.0 5.8 46 50 I T << - 0 0 0 -3,-1.4 2,-0.3 -4,-0.6 256,-0.3 -0.493 50.9-175.1-103.2 162.8 13.4 -11.5 7.6 47 51 I G >> - 0 0 5 254,-2.2 4,-1.8 -2,-0.2 3,-1.0 -0.901 47.9 -4.3-142.5 174.8 13.2 -15.1 8.8 48 52 I G H 3> S- 0 0 43 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 -0.001 123.9 -5.8 44.1-131.4 15.2 -17.7 10.7 49 53 I E H 3> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.775 133.8 57.5 -68.6 -29.4 18.7 -16.8 11.9 50 54 I T H <> S+ 0 0 1 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.937 111.5 41.5 -64.6 -51.0 18.7 -13.4 10.0 51 55 I Q H X S+ 0 0 49 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.905 112.6 56.2 -59.1 -46.9 15.6 -12.3 11.9 52 56 I Q H X S+ 0 0 131 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.938 107.0 48.3 -52.1 -52.3 16.9 -13.8 15.2 53 57 I Q H X S+ 0 0 34 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.868 112.9 47.3 -59.3 -42.5 20.1 -11.7 15.0 54 58 I I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.948 115.0 46.0 -64.5 -49.3 18.3 -8.4 14.3 55 59 I Q H X S+ 0 0 23 -4,-2.8 4,-2.5 2,-0.2 5,-0.5 0.916 113.4 49.1 -58.8 -47.1 15.8 -9.1 17.1 56 60 I A H < S+ 0 0 80 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.923 115.9 43.1 -58.6 -47.7 18.5 -10.1 19.6 57 61 I A H < S+ 0 0 16 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.841 117.1 45.3 -68.7 -37.3 20.6 -7.0 18.8 58 62 I M H < S- 0 0 1 -4,-2.5 -47,-0.2 2,-0.2 -2,-0.2 0.791 100.8-132.7 -79.7 -31.0 17.6 -4.5 18.7 59 63 I G S < S+ 0 0 50 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.1 0.442 73.9 65.3 93.5 1.6 16.1 -5.9 21.9 60 64 I F - 0 0 11 -5,-0.5 2,-0.5 -6,-0.2 -1,-0.2 -0.991 69.9-129.3-151.1 160.8 12.6 -6.1 20.6 61 65 I K > - 0 0 102 -2,-0.3 3,-1.9 1,-0.1 6,-0.2 -0.958 13.4-145.5-114.6 123.3 10.4 -7.9 18.1 62 66 I I T 3 S+ 0 0 1 -2,-0.5 6,-0.7 1,-0.3 -1,-0.1 0.747 101.1 54.3 -58.1 -28.5 8.2 -5.8 15.8 63 67 I D T 3 S+ 0 0 86 4,-0.1 -1,-0.3 5,-0.1 3,-0.1 0.586 82.6 113.1 -81.4 -12.7 5.4 -8.5 15.8 64 68 I D S X> S- 0 0 87 -3,-1.9 3,-2.0 1,-0.1 4,-0.6 -0.314 86.0 -85.7 -61.6 146.7 5.3 -8.5 19.6 65 69 I K T 34 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.297 111.0 7.7 -65.1 130.7 2.0 -7.2 20.9 66 70 I G T 3> S+ 0 0 33 -3,-0.1 4,-1.8 -4,-0.1 -1,-0.3 0.253 101.8 103.2 87.1 -10.1 1.9 -3.4 21.3 67 71 I M H <> S+ 0 0 23 -3,-2.0 4,-2.4 2,-0.2 5,-0.2 0.973 80.3 40.5 -74.4 -55.5 5.2 -2.9 19.5 68 72 I A H X S+ 0 0 4 -6,-0.7 4,-1.9 -4,-0.6 -1,-0.2 0.909 118.0 49.0 -60.3 -43.9 4.2 -1.7 16.0 69 73 I P H > S+ 0 0 42 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.937 110.8 51.6 -58.7 -42.9 1.4 0.5 17.4 70 74 I A H X S+ 0 0 7 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.896 109.8 48.1 -59.9 -43.3 3.9 2.0 20.0 71 75 I L H X S+ 0 0 21 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.815 110.9 52.6 -65.3 -33.1 6.4 2.8 17.2 72 76 I R H X S+ 0 0 40 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.954 110.1 46.9 -66.5 -49.6 3.6 4.4 15.3 73 77 I H H X S+ 0 0 122 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.910 110.5 53.8 -57.3 -44.8 2.6 6.5 18.3 74 78 I L H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.919 107.2 51.6 -52.8 -49.1 6.3 7.5 18.7 75 79 I Y H X S+ 0 0 100 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.923 108.8 48.7 -57.7 -48.9 6.5 8.6 15.1 76 80 I K H < S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.838 111.8 50.5 -61.2 -37.0 3.4 10.9 15.3 77 81 I E H >< S+ 0 0 94 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.2 0.890 113.0 45.9 -68.1 -38.4 4.8 12.5 18.5 78 82 I L H 3< S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.8 42.5 -73.7 -38.9 8.2 13.1 16.9 79 83 I M T 3< S+ 0 0 52 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.037 93.1 133.7 -96.5 26.8 6.9 14.6 13.7 80 84 I G S X S- 0 0 14 -3,-0.8 3,-1.8 -5,-0.1 -3,-0.1 0.018 76.8 -83.1 -71.7-179.7 4.2 16.6 15.5 81 85 I P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.596 114.5 81.5 -65.0 -13.5 3.3 20.3 15.0 82 86 I W T 3 S+ 0 0 33 2,-0.1 2,-0.8 1,-0.1 249,-0.1 0.707 71.7 99.2 -57.8 -21.8 6.1 21.5 17.3 83 87 I N < - 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