==== 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 13-MAY-12 4AU2 . 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,C.DROGEMULLER,T.LEEB,U.BAUM . 1499 25 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1070 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 293 19.5 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 . 138 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 0 7 1 0 0 9 4 1 1 5 3 1 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 4 0 3 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 0 4 0 4 8 9 5 2 4 0 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 2 2 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 M 0 0 194 0, 0.0 2,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 117.1 14.8 -118.0 8.7 2 36 A L - 0 0 36 1,-0.1 78,-0.0 4,-0.1 3,-0.0 -0.374 360.0-125.1 -68.8 140.6 15.4 -121.7 9.3 3 37 A S > - 0 0 39 -2,-0.1 4,-2.6 73,-0.1 3,-0.2 -0.465 36.2 -97.3 -77.4 162.2 13.7 -124.3 7.2 4 38 A P H > S+ 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.889 125.0 49.4 -47.9 -49.5 11.6 -127.0 9.1 5 39 A K H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.898 115.2 44.1 -52.4 -49.7 14.4 -129.6 8.9 6 40 A A H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.846 109.5 56.2 -69.2 -37.3 17.0 -127.0 10.2 7 41 A A H X S+ 0 0 44 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.944 112.1 41.7 -60.6 -53.4 14.6 -125.7 13.0 8 42 A T H X S+ 0 0 54 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.926 115.0 50.8 -62.1 -43.9 14.1 -129.2 14.5 9 43 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.867 109.2 52.5 -59.2 -34.5 17.9 -130.0 14.1 10 44 A A H X S+ 0 0 7 -4,-2.2 4,-1.5 2,-0.2 345,-0.3 0.899 111.1 45.9 -64.9 -43.0 18.6 -126.6 15.9 11 45 A E H X S+ 0 0 126 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 114.6 48.4 -66.7 -41.6 16.4 -127.6 18.8 12 46 A R H X S+ 0 0 73 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.931 110.5 50.4 -65.5 -46.7 18.0 -131.1 18.9 13 47 A S H X S+ 0 0 1 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.799 110.3 51.3 -59.6 -35.9 21.6 -129.6 18.8 14 48 A A H X S+ 0 0 22 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.951 108.1 50.6 -69.5 -47.0 20.6 -127.3 21.7 15 49 A G H X S+ 0 0 40 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 112.8 47.5 -51.9 -49.0 19.3 -130.2 23.8 16 50 A L H X S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.885 109.0 53.7 -59.6 -44.9 22.6 -132.1 23.1 17 51 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.840 109.2 48.3 -60.7 -38.5 24.7 -128.9 24.0 18 52 A F H X S+ 0 0 24 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.955 113.7 47.4 -67.0 -47.0 22.9 -128.6 27.4 19 53 A S H X S+ 0 0 60 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.887 114.5 46.2 -61.1 -45.1 23.5 -132.3 28.1 20 54 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.895 112.5 50.1 -64.4 -46.7 27.2 -132.0 27.0 21 55 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.944 112.7 47.3 -57.0 -50.8 27.6 -128.9 29.1 22 56 A Q H X S+ 0 0 57 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.889 113.2 48.3 -57.4 -43.8 26.1 -130.6 32.2 23 57 A A H >X S+ 0 0 28 -4,-2.2 4,-0.9 1,-0.2 3,-0.6 0.944 115.5 43.8 -62.2 -49.4 28.2 -133.8 31.6 24 58 A M H 3< S+ 0 0 1 -4,-2.5 6,-0.3 1,-0.2 -1,-0.2 0.776 109.0 57.3 -65.7 -34.3 31.4 -131.7 31.3 25 59 A A H 3< S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.729 103.4 54.7 -71.6 -23.9 30.5 -129.5 34.3 26 60 A K H << S+ 0 0 176 -4,-1.1 2,-0.6 -3,-0.6 -1,-0.2 0.787 89.4 93.0 -75.0 -31.0 30.3 -132.7 36.5 27 61 A D >< - 0 0 35 -4,-0.9 3,-1.9 1,-0.2 -3,-0.0 -0.575 66.4-156.6 -73.4 113.0 33.9 -133.5 35.4 28 62 A Q T 3 S+ 0 0 203 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.640 92.0 64.2 -61.9 -20.4 36.3 -132.1 38.0 29 63 A A T 3 S+ 0 0 89 -5,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.461 86.7 90.6 -85.2 -1.1 39.1 -132.1 35.3 30 64 A V < + 0 0 22 -3,-1.9 3,-0.1 -6,-0.3 247,-0.0 -0.842 44.0 163.2-101.1 127.1 37.1 -129.4 33.3 31 65 A E + 0 0 88 -2,-0.5 -1,-0.1 1,-0.4 2,-0.1 0.653 62.5 21.1-102.2 -97.7 37.7 -125.7 33.8 32 66 A N S S- 0 0 26 331,-0.2 -1,-0.4 242,-0.1 2,-0.4 -0.443 71.5-152.6 -75.1 146.3 36.4 -123.3 31.1 33 67 A I E +A 360 0A 0 327,-1.6 327,-2.0 -3,-0.1 2,-0.3 -0.980 18.3 172.3-122.2 134.6 33.7 -124.6 28.8 34 68 A L E +A 359 0A 3 -2,-0.4 2,-0.4 325,-0.2 325,-0.2 -0.889 10.6 170.0-143.2 107.5 33.0 -123.4 25.2 35 69 A L E -A 358 0A 0 323,-2.8 323,-2.1 -2,-0.3 3,-0.1 -0.981 23.8-163.0-126.5 130.1 30.5 -125.3 23.1 36 70 A S > - 0 0 2 -2,-0.4 4,-2.7 321,-0.2 5,-0.2 -0.919 15.2-155.0-103.1 109.8 28.9 -124.5 19.7 37 71 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.869 91.3 48.4 -52.2 -45.1 25.8 -126.7 19.5 38 72 A V H > S+ 0 0 1 317,-0.4 4,-2.3 2,-0.2 43,-0.1 0.895 112.5 48.6 -63.8 -42.4 25.7 -126.8 15.6 39 73 A V H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.923 111.4 50.0 -66.7 -40.4 29.4 -127.7 15.4 40 74 A V H >X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-0.8 0.935 112.3 48.1 -58.9 -47.0 29.0 -130.4 18.0 41 75 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.870 105.4 58.1 -61.9 -39.7 26.0 -131.8 16.0 42 76 A S H 3X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.754 100.1 58.6 -63.6 -25.1 28.0 -131.6 12.7 43 77 A S H > - 0 0 85 246,-1.8 3,-1.1 -2,-0.2 4,-1.0 -0.901 57.9 -21.7-128.6 158.3 27.7 -148.1 8.8 53 87 A A H 3> S- 0 0 76 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 -0.111 127.5 -2.8 47.0-129.9 25.1 -149.9 11.0 54 88 A T H 3> S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.772 129.3 62.1 -65.9 -31.9 25.3 -149.2 14.8 55 89 A T H <> S+ 0 0 0 -3,-1.1 4,-0.8 2,-0.2 236,-0.3 0.946 115.6 34.0 -57.4 -49.1 28.4 -146.9 14.5 56 90 A A H X S+ 0 0 8 -4,-1.0 4,-1.5 -3,-0.2 3,-0.3 0.890 116.8 53.5 -73.1 -43.2 26.3 -144.5 12.3 57 91 A S H X S+ 0 0 58 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.801 105.8 53.7 -64.7 -32.3 22.9 -145.1 14.0 58 92 A Q H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.824 104.5 56.2 -67.9 -35.0 24.3 -144.3 17.5 59 93 A A H X S+ 0 0 1 -4,-0.8 4,-1.1 -3,-0.3 -2,-0.2 0.910 110.0 44.6 -64.6 -41.8 25.6 -140.9 16.1 60 94 A K H <>S+ 0 0 24 -4,-1.5 5,-3.3 1,-0.2 6,-0.4 0.896 112.7 53.5 -67.9 -36.8 22.0 -140.0 15.0 61 95 A A H ><5S+ 0 0 40 -4,-1.8 3,-1.7 3,-0.2 -2,-0.2 0.885 103.1 54.1 -66.8 -43.1 20.7 -141.3 18.4 62 96 A V H 3<5S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 113.0 45.0 -58.4 -33.9 23.1 -139.0 20.4 63 97 A L T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.366 114.7-121.5 -88.4 0.1 21.7 -136.0 18.4 64 98 A S T < 5S+ 0 0 71 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.874 83.8 117.1 55.4 40.8 18.0 -137.5 18.9 65 99 A A > < + 0 0 0 -5,-3.3 3,-1.8 -6,-0.1 -4,-0.2 0.125 25.4 113.8-119.1 12.4 17.8 -137.6 15.1 66 100 A E T 3 S+ 0 0 96 -6,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.792 77.3 53.8 -57.7 -31.3 17.4 -141.5 14.7 67 101 A Q T 3 S+ 0 0 178 -7,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.346 96.5 86.7 -86.7 5.1 13.8 -141.0 13.3 68 102 A L S < S- 0 0 25 -3,-1.8 2,-0.1 1,-0.0 -3,-0.1 -0.785 86.4-107.2-101.4 150.0 15.1 -138.6 10.6 69 103 A R > - 0 0 159 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.406 28.2-116.6 -71.6 149.0 16.4 -139.6 7.2 70 104 A D H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 117.1 53.5 -53.1 -44.1 20.2 -139.3 6.6 71 105 A E H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.833 106.5 52.1 -58.3 -42.2 19.6 -136.7 3.8 72 106 A E H > S+ 0 0 56 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.849 111.7 46.8 -64.5 -38.8 17.4 -134.6 6.3 73 107 A V H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.933 115.0 45.2 -70.9 -46.6 20.3 -134.6 8.9 74 108 A H H X S+ 0 0 10 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.913 118.7 41.8 -64.8 -41.5 23.0 -133.7 6.3 75 109 A A H X S+ 0 0 33 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.890 116.0 49.7 -70.6 -43.2 20.9 -131.0 4.7 76 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.933 114.0 44.2 -63.0 -47.1 19.7 -129.6 8.0 77 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.897 111.7 54.0 -67.5 -35.9 23.1 -129.5 9.6 78 112 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.950 109.0 48.2 -58.6 -52.0 24.6 -127.9 6.4 79 113 A E H X S+ 0 0 48 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.876 113.9 47.2 -55.8 -44.0 22.0 -125.1 6.4 80 114 A L H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.906 110.3 51.8 -67.9 -43.7 22.7 -124.5 10.2 81 115 A L H >< S+ 0 0 15 -4,-2.9 3,-1.6 1,-0.2 4,-0.4 0.968 111.6 46.7 -57.0 -51.5 26.5 -124.5 9.6 82 116 A R H >< S+ 0 0 148 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.860 104.9 61.5 -57.5 -37.9 26.2 -121.9 6.8 83 117 A S H >< S+ 0 0 41 -4,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.710 94.1 65.4 -62.3 -20.0 23.8 -119.8 9.1 84 118 A L T << S+ 0 0 23 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.713 104.0 45.8 -72.3 -23.0 26.7 -119.5 11.6 85 119 A S T < 0 0 82 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.1 -0.377 360.0 360.0-119.0 52.9 28.6 -117.5 9.0 86 120 A N < 0 0 179 -3,-0.7 -3,-0.1 -2,-0.0 -2,-0.1 0.013 360.0 360.0-142.7 360.0 26.1 -114.9 7.6 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 0 182 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -66.5 33.2 -111.1 9.2 89 127 A T + 0 0 43 80,-0.1 78,-0.1 82,-0.0 -4,-0.0 0.769 360.0 95.2-110.5 -41.5 34.7 -112.3 12.6 90 128 A W - 0 0 36 -6,-0.1 2,-0.4 79,-0.1 78,-0.2 -0.267 53.3-173.0 -56.1 131.5 33.3 -115.9 13.0 91 129 A K E +J 167 0B 54 76,-2.3 76,-2.2 52,-0.0 2,-0.3 -0.996 7.1 174.9-136.1 128.7 35.8 -118.5 11.8 92 130 A L E +J 166 0B 51 -2,-0.4 2,-0.3 74,-0.2 74,-0.2 -0.997 4.8 172.3-135.9 142.2 35.2 -122.2 11.5 93 131 A G E -J 165 0B 2 72,-1.3 72,-2.3 -2,-0.3 2,-0.4 -0.990 9.6-166.4-146.8 139.3 37.3 -125.2 10.1 94 132 A S E +Jk 164 118B 5 23,-0.5 25,-2.0 -2,-0.3 2,-0.4 -0.997 13.1 172.9-129.5 126.5 36.7 -128.9 10.2 95 133 A R E -Jk 163 119B 54 68,-2.1 68,-2.4 -2,-0.4 2,-0.5 -0.991 22.4-149.0-141.5 131.2 39.4 -131.4 9.3 96 134 A L E -Jk 162 120B 3 23,-3.2 25,-2.4 -2,-0.4 2,-0.5 -0.898 16.8-163.2 -97.2 122.1 39.6 -135.2 9.5 97 135 A Y E +Jk 161 121B 4 64,-2.8 64,-3.1 -2,-0.5 25,-0.2 -0.928 11.0 177.7-109.8 131.1 43.1 -136.6 10.3 98 136 A G E - k 0 122B 0 23,-2.1 25,-2.5 -2,-0.5 62,-0.1 -0.918 37.0 -89.9-126.9 153.2 43.8 -140.2 9.6 99 137 A P E > - k 0 123B 11 0, 0.0 3,-2.1 0, 0.0 25,-0.2 -0.255 40.1-109.2 -61.0 156.0 47.0 -142.2 9.9 100 138 A S T 3 S+ 0 0 67 23,-1.0 24,-0.1 1,-0.3 22,-0.0 0.798 118.2 66.1 -54.5 -31.3 49.3 -142.4 6.9 101 139 A S T 3 S+ 0 0 110 22,-0.2 -1,-0.3 2,-0.0 2,-0.3 0.386 93.4 81.3 -71.8 -0.9 48.3 -146.1 6.5 102 140 A V < - 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