==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/PEPTIDE 14-MAY-12 4AU3 . COMPND 2 MOLECULE: SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK P . SOURCE 2 ORGANISM_SCIENTIFIC: CANIS LUPUS FAMILIARIS; . AUTHOR C.WIDMER,J.M.GEBAUER,E.BRUNSTEIN,S.RODENBAUM,F.ZAUCKE,C.DROG . 1567 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1128 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 299 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 166 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 3 2 6 0 0 1 8 5 1 1 5 3 1 0 1 0 0 0 2 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 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 PARALLEL BRIDGES PER LADDER . 8 0 4 0 4 8 8 6 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 4 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 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 35 A X 0 0 194 0, 0.0 2,-0.0 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 139.9 -31.3 128.0 231.8 2 36 A L - 0 0 24 1,-0.1 74,-0.0 2,-0.1 78,-0.0 -0.305 360.0-111.1 -65.2 146.3 -35.2 128.0 231.4 3 37 A S > - 0 0 40 1,-0.1 4,-2.5 73,-0.1 5,-0.2 -0.367 35.6-105.3 -69.8 155.4 -37.4 128.7 234.4 4 38 A P H > S+ 0 0 108 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.875 121.9 48.2 -56.3 -36.7 -39.5 125.6 235.6 5 39 A K H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.934 111.4 48.3 -68.2 -45.7 -42.7 127.0 234.1 6 40 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 110.2 55.0 -58.6 -40.1 -41.0 127.8 230.7 7 41 A A H X S+ 0 0 39 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.884 108.7 46.0 -60.0 -45.5 -39.5 124.2 230.7 8 42 A T H X S+ 0 0 51 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.887 112.3 50.2 -67.6 -37.9 -43.0 122.6 231.1 9 43 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.878 108.2 55.4 -64.2 -39.9 -44.5 124.9 228.4 10 44 A A H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 345,-0.3 0.820 105.1 51.7 -60.9 -39.2 -41.5 123.8 226.1 11 45 A E H X S+ 0 0 119 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.909 112.8 44.6 -65.8 -42.5 -42.3 120.1 226.6 12 46 A R H X S+ 0 0 96 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.861 110.0 56.6 -68.7 -37.0 -46.0 120.8 225.6 13 47 A S H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.871 109.3 46.3 -59.4 -43.3 -44.6 123.0 222.6 14 48 A A H X S+ 0 0 20 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.955 113.3 47.9 -63.6 -54.1 -42.7 120.0 221.4 15 49 A G H X S+ 0 0 38 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.853 112.9 49.6 -55.1 -39.5 -45.6 117.5 221.8 16 50 A L H X S+ 0 0 13 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.911 109.8 50.0 -68.3 -46.2 -47.9 120.0 220.0 17 51 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.846 109.8 51.8 -62.6 -34.9 -45.4 120.4 217.1 18 52 A F H X S+ 0 0 30 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.948 111.9 46.6 -66.4 -43.9 -45.2 116.5 216.9 19 53 A S H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 114.4 47.4 -62.7 -42.6 -49.1 116.5 216.7 20 54 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.925 112.0 49.4 -64.7 -47.8 -49.0 119.3 214.1 21 55 A Y H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.943 112.6 48.1 -55.2 -52.5 -46.3 117.5 212.0 22 56 A Q H X S+ 0 0 57 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.880 110.9 51.0 -56.7 -42.9 -48.3 114.2 212.1 23 57 A A H < S+ 0 0 37 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.903 115.7 41.3 -59.8 -48.9 -51.5 116.0 211.1 24 58 A X H >< S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.848 108.1 59.5 -70.7 -39.7 -49.9 117.7 208.1 25 59 A A H 3< S+ 0 0 15 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 99.6 59.5 -60.6 -29.6 -47.8 114.6 207.1 26 60 A K T 3< S+ 0 0 176 -4,-1.3 2,-0.5 -3,-0.2 -1,-0.3 0.699 86.5 91.6 -71.8 -21.6 -51.2 112.7 206.6 27 61 A D X - 0 0 55 -3,-1.3 3,-0.9 -4,-0.4 -3,-0.0 -0.669 66.8-156.2 -79.7 119.7 -52.2 115.4 204.0 28 62 A Q T 3 S+ 0 0 199 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.642 93.3 62.4 -70.8 -15.9 -51.1 114.1 200.5 29 63 A A T 3 S+ 0 0 84 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.724 87.6 88.8 -78.7 -26.5 -51.1 117.8 199.3 30 64 A V < + 0 0 30 -3,-0.9 3,-0.1 -6,-0.3 0, 0.0 -0.620 45.5 163.6 -79.0 127.6 -48.3 118.6 201.9 31 65 A E + 0 0 78 1,-0.4 -1,-0.1 -2,-0.4 2,-0.1 0.615 62.2 25.5-104.0 -91.2 -44.7 118.1 200.7 32 66 A N - 0 0 23 331,-0.2 -1,-0.4 242,-0.1 2,-0.4 -0.412 68.0-158.7 -80.0 148.2 -42.1 119.8 202.9 33 67 A I E +A 360 0A 1 327,-1.6 327,-2.0 -3,-0.1 2,-0.3 -0.985 13.7 173.1-125.9 140.2 -42.8 120.5 206.6 34 68 A L E +A 359 0A 2 -2,-0.4 2,-0.4 325,-0.2 325,-0.2 -0.888 8.6 169.6-149.2 112.2 -41.1 123.1 208.8 35 69 A L E -A 358 0A 0 323,-2.6 323,-2.3 -2,-0.3 3,-0.1 -0.991 25.7-158.1-130.3 134.3 -42.3 123.9 212.3 36 70 A S > - 0 0 1 -2,-0.4 4,-2.3 321,-0.2 3,-0.4 -0.927 15.9-153.9-103.2 102.2 -40.8 125.9 215.2 37 71 A P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.868 92.5 51.1 -44.3 -44.4 -42.5 124.5 218.3 38 72 A V H > S+ 0 0 3 317,-0.3 4,-3.0 2,-0.2 5,-0.1 0.893 110.1 47.1 -61.0 -47.3 -42.1 127.8 220.2 39 73 A V H > S+ 0 0 0 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.869 112.4 51.1 -66.7 -35.0 -43.6 130.0 217.5 40 74 A V H X S+ 0 0 1 -4,-2.3 4,-1.1 2,-0.2 3,-0.4 0.953 113.7 44.6 -66.1 -46.4 -46.5 127.5 217.2 41 75 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-0.5 0.890 108.4 57.5 -63.9 -40.1 -47.0 127.8 221.0 42 76 A S H X S+ 0 0 1 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.814 100.8 58.7 -62.3 -27.8 -46.6 131.6 220.9 43 77 A S H X S+ 0 0 4 -4,-1.4 4,-1.2 -3,-0.4 -1,-0.2 0.900 105.7 47.0 -67.9 -38.6 -49.5 131.8 218.4 44 78 A L H X S+ 0 0 2 -4,-1.1 4,-2.4 -3,-0.5 -2,-0.2 0.874 107.4 58.8 -68.9 -37.3 -51.8 130.1 221.0 45 79 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.868 103.8 51.0 -57.6 -38.2 -50.5 132.5 223.6 46 80 A L H X S+ 0 0 7 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.865 108.3 51.8 -68.0 -35.0 -51.7 135.4 221.4 47 81 A V H X S+ 0 0 7 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.915 112.3 45.2 -67.9 -42.5 -55.2 133.8 221.2 48 82 A S H < S+ 0 0 1 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.945 116.5 48.4 -61.9 -47.2 -55.3 133.5 225.0 49 83 A L H < S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.874 120.4 33.7 -57.4 -50.9 -54.0 137.1 225.3 50 84 A G H < S+ 0 0 0 -4,-3.0 251,-1.7 -5,-0.1 252,-1.5 0.642 111.6 77.4 -84.6 -20.1 -56.5 138.6 222.8 51 85 A G < - 0 0 0 -4,-2.0 2,-0.3 250,-0.2 248,-0.2 -0.365 55.5-157.6 -95.5 171.4 -59.4 136.4 223.6 52 86 A K >> - 0 0 83 246,-1.8 4,-0.9 -2,-0.1 3,-0.7 -0.855 57.5 -5.2-137.1 166.2 -62.1 135.9 226.3 53 87 A A H 3> S- 0 0 72 -2,-0.3 4,-2.1 1,-0.2 3,-0.4 -0.141 128.0 -9.1 47.1-130.5 -64.4 133.0 227.5 54 88 A T H 3> S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.854 130.6 64.8 -66.0 -39.5 -64.1 129.7 225.4 55 89 A T H <> S+ 0 0 0 -3,-0.7 4,-0.8 241,-0.2 236,-0.2 0.874 114.1 32.5 -47.5 -47.0 -62.0 131.3 222.7 56 90 A A H X S+ 0 0 10 -4,-0.9 4,-2.0 -3,-0.4 -2,-0.2 0.827 114.6 57.6 -81.6 -40.6 -59.1 131.9 225.3 57 91 A S H X S+ 0 0 59 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.856 105.1 52.4 -61.4 -36.4 -59.8 128.7 227.5 58 92 A Q H X S+ 0 0 30 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.912 106.8 53.1 -66.0 -43.3 -59.3 126.5 224.4 59 93 A A H X S+ 0 0 0 -4,-0.8 4,-1.8 -5,-0.3 -2,-0.2 0.924 112.5 43.8 -59.4 -45.3 -55.9 128.2 223.6 60 94 A K H <>S+ 0 0 25 -4,-2.0 5,-2.6 1,-0.2 6,-0.3 0.869 113.4 52.1 -66.2 -39.8 -54.7 127.5 227.2 61 95 A A H ><5S+ 0 0 43 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.857 108.1 49.7 -64.7 -38.5 -56.1 123.9 227.0 62 96 A V H 3<5S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.918 112.8 48.2 -65.9 -39.3 -54.2 123.2 223.7 63 97 A L T 3<5S- 0 0 1 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.421 110.9-131.3 -74.9 -6.4 -51.1 124.6 225.5 64 98 A S T < 5S+ 0 0 50 -3,-1.0 -3,-0.2 1,-0.1 3,-0.2 0.730 77.8 116.1 54.1 31.1 -52.1 122.2 228.5 65 99 A A > < + 0 0 3 -5,-2.6 3,-1.8 1,-0.1 -4,-0.2 -0.020 21.8 123.5-115.2 23.9 -51.6 125.3 230.8 66 100 A E T 3 S+ 0 0 99 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.781 72.3 56.6 -59.0 -28.6 -55.2 125.7 232.0 67 101 A Q T 3 S+ 0 0 188 -3,-0.2 -1,-0.3 -7,-0.1 2,-0.2 0.464 95.9 84.7 -84.0 -1.0 -54.1 125.5 235.7 68 102 A L S < S- 0 0 38 -3,-1.8 2,-0.1 1,-0.1 -3,-0.1 -0.676 86.5-106.2 -98.8 156.2 -51.7 128.5 235.2 69 103 A R > - 0 0 158 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.422 32.4-114.2 -73.8 154.3 -52.5 132.2 235.5 70 104 A D H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 118.4 55.4 -55.8 -42.3 -52.6 134.0 232.1 71 105 A E H > S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.868 106.0 51.3 -57.1 -44.6 -49.5 136.1 233.2 72 106 A E H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 110.7 48.9 -62.3 -38.7 -47.6 132.8 233.8 73 107 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.973 115.1 42.6 -64.7 -57.7 -48.5 131.6 230.3 74 108 A H H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.867 116.6 48.6 -57.2 -40.2 -47.5 134.9 228.6 75 109 A A H X S+ 0 0 44 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.904 113.6 46.4 -68.3 -44.7 -44.2 135.2 230.7 76 110 A G H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 115.2 44.6 -63.9 -49.8 -43.2 131.6 230.0 77 111 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.912 113.4 52.7 -61.7 -40.6 -43.9 131.7 226.3 78 112 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.915 109.6 49.0 -58.2 -46.4 -42.1 135.1 226.2 79 113 A E H X S+ 0 0 51 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.866 110.5 50.7 -61.7 -41.3 -39.1 133.5 228.0 80 114 A L H X S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.942 110.9 47.9 -64.0 -48.2 -39.1 130.6 225.5 81 115 A L H >< S+ 0 0 20 -4,-2.9 3,-1.2 1,-0.2 4,-0.4 0.900 112.4 49.9 -56.0 -44.5 -39.1 133.0 222.4 82 116 A R H >< S+ 0 0 140 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.885 105.2 58.4 -61.5 -37.6 -36.3 135.0 224.1 83 117 A S H 3< S+ 0 0 33 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.547 90.2 70.8 -70.0 -13.8 -34.4 131.7 224.6 84 118 A L T << S+ 0 0 20 -3,-1.2 2,-1.4 -4,-0.5 -1,-0.3 0.746 79.1 86.1 -72.8 -24.1 -34.5 131.0 220.8 85 119 A S < 0 0 87 -3,-1.3 -1,-0.2 -4,-0.4 -3,-0.0 -0.670 360.0 360.0 -83.1 85.0 -31.9 133.9 220.5 86 120 A N 0 0 138 -2,-1.4 -2,-0.1 0, 0.0 -3,-0.0 -0.666 360.0 360.0-178.4 360.0 -28.6 131.9 221.1 87 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 88 126 A V 0 0 150 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.2 -27.7 136.7 211.5 89 127 A T + 0 0 43 1,-0.2 80,-2.6 79,-0.1 2,-0.3 0.311 360.0 45.4-101.7 2.6 -28.5 132.8 211.5 90 128 A W E +J 168 0B 45 78,-0.2 2,-0.3 2,-0.0 78,-0.2 -0.953 63.5 170.7-146.8 127.1 -31.9 133.2 213.1 91 129 A K E +J 167 0B 47 76,-2.2 76,-2.0 -2,-0.3 2,-0.4 -0.991 4.5 175.9-140.1 127.0 -34.6 135.8 212.2 92 130 A L E +J 166 0B 54 -2,-0.3 2,-0.3 74,-0.2 74,-0.2 -0.990 6.1 175.3-134.5 144.9 -38.2 135.9 213.4 93 131 A G E -J 165 0B 4 72,-1.6 72,-2.5 -2,-0.4 2,-0.4 -0.982 7.8-167.6-145.3 137.7 -41.1 138.4 212.8 94 132 A S E +J 164 0B 5 23,-0.4 25,-2.7 -2,-0.3 2,-0.4 -0.999 12.1 176.3-128.7 127.4 -44.8 138.1 214.0 95 133 A R E -Jk 163 119B 58 68,-2.5 68,-2.7 -2,-0.4 2,-0.5 -1.000 20.2-149.7-136.4 134.5 -47.4 140.4 212.7 96 134 A L E -Jk 162 120B 5 23,-2.7 25,-3.0 -2,-0.4 2,-0.5 -0.923 13.8-161.8-101.8 125.5 -51.1 140.6 213.2 97 135 A Y E +Jk 161 121B 2 64,-2.6 64,-2.7 -2,-0.5 25,-0.2 -0.943 11.8 177.6-109.1 122.1 -53.2 141.9 210.3 98 136 A G E - 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