==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR/BLOOD CLOTTING 21-APR-09 3H5C . COMPND 2 MOLECULE: PROTEIN Z-DEPENDENT PROTEASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.A.DEMENTIEV,X.HUANG,S.T.OLSON,P.G.W.GETTINS . 696 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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-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 . 78 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 2 1 2 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 0 1 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 0 PARALLEL BRIDGES PER LADDER . 3 2 7 2 4 3 4 0 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 . 2 0 0 1 0 1 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 40 A S >> 0 0 116 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 144.3 -32.5 16.8 -25.1 2 41 A E H 3> + 0 0 91 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.699 360.0 70.2 -59.4 -18.9 -31.4 20.1 -26.7 3 42 A E H 3> S+ 0 0 76 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.953 96.3 49.7 -61.0 -50.7 -34.6 19.7 -28.7 4 43 A E H X> S+ 0 0 53 -3,-0.8 4,-2.2 1,-0.2 3,-1.4 0.937 107.5 51.6 -54.0 -56.0 -36.7 20.4 -25.6 5 44 A K H 3X S+ 0 0 54 -4,-1.2 4,-0.9 1,-0.3 -1,-0.2 0.854 102.6 59.9 -53.8 -40.4 -34.9 23.6 -24.5 6 45 A A H 3X S+ 0 0 76 -4,-1.5 4,-0.5 1,-0.2 -1,-0.3 0.837 112.0 41.7 -56.1 -32.5 -35.3 25.1 -28.0 7 46 A W H XX S+ 0 0 86 -3,-1.4 4,-1.8 -4,-1.0 3,-1.1 0.917 101.2 66.0 -81.9 -48.4 -39.0 24.8 -27.5 8 47 A L H 3< S+ 0 0 49 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.670 97.4 59.0 -50.9 -20.9 -39.3 25.9 -23.8 9 48 A M H 3X S+ 0 0 105 -4,-0.9 4,-0.5 2,-0.2 3,-0.4 0.895 107.9 41.3 -80.0 -40.6 -38.2 29.4 -24.9 10 49 A A H S+ 0 0 144 -4,-0.5 4,-1.4 -3,-0.4 -1,-0.2 0.977 98.8 38.6 -54.4 -57.0 -42.6 30.7 -22.0 13 52 A Q H >X S+ 0 0 121 -4,-0.5 4,-2.6 1,-0.2 3,-0.5 0.929 112.0 54.1 -64.9 -49.5 -44.8 33.5 -23.3 14 53 A Q H 3X S+ 0 0 80 -4,-0.8 4,-1.5 1,-0.3 -1,-0.2 0.884 109.6 51.2 -53.7 -37.7 -47.8 31.4 -24.5 15 54 A L H 3X S+ 0 0 5 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.838 109.6 49.3 -68.1 -35.3 -47.9 29.8 -21.1 16 55 A A H < S+ 0 0 17 -4,-1.9 3,-0.7 -3,-0.2 4,-0.5 0.908 113.6 46.7 -63.2 -41.9 -66.2 32.7 -10.5 30 69 A I H >X S+ 0 0 1 -4,-2.4 3,-2.3 1,-0.2 4,-0.8 0.931 105.7 58.8 -63.2 -45.9 -65.1 34.2 -7.2 31 70 A S H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.637 97.7 63.2 -59.7 -14.0 -66.8 37.5 -8.0 32 71 A M T << S+ 0 0 14 -3,-0.7 602,-1.7 -4,-0.6 -1,-0.3 0.748 102.8 49.1 -79.5 -24.5 -70.0 35.5 -8.4 33 72 A R T <4 S- 0 0 109 -3,-2.3 2,-0.3 -4,-0.5 -2,-0.2 0.599 124.1 -11.5 -93.9 -15.2 -69.8 34.6 -4.7 34 73 A H < - 0 0 58 -4,-0.8 -1,-0.2 2,-0.1 600,-0.1 -0.960 43.9-134.3-177.6 163.5 -69.3 38.0 -3.2 35 74 A D S S+ 0 0 53 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.313 71.0 102.9-110.8 5.5 -68.4 41.7 -3.8 36 75 A G S S- 0 0 30 1,-0.2 -2,-0.1 343,-0.1 2,-0.0 0.204 85.3 -46.2 -76.3-164.2 -65.9 42.2 -1.0 37 76 A N - 0 0 7 343,-0.1 2,-0.3 341,-0.1 -1,-0.2 -0.376 61.8-169.7 -62.3 147.1 -62.1 42.4 -1.1 38 77 A M E +A 377 0A 0 339,-2.5 339,-3.1 -3,-0.1 2,-0.3 -0.999 15.8 160.3-144.4 141.0 -60.5 39.7 -3.2 39 78 A V E +A 376 0A 0 -2,-0.3 2,-0.3 337,-0.3 337,-0.2 -0.908 9.2 143.0-160.8 132.8 -56.9 38.4 -3.8 40 79 A F E -A 375 0A 0 335,-2.1 335,-2.9 -2,-0.3 245,-0.0 -0.971 44.9-103.8-160.0 171.7 -55.4 35.2 -5.1 41 80 A S > - 0 0 0 -2,-0.3 4,-1.5 333,-0.2 333,-0.2 -0.883 18.8-174.1-112.6 105.1 -52.5 33.9 -7.2 42 81 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.883 91.1 47.1 -55.2 -43.5 -53.2 32.8 -10.8 43 82 A F H > S+ 0 0 9 329,-1.6 4,-3.0 2,-0.2 5,-0.2 0.959 110.8 47.2 -66.8 -55.7 -49.7 31.6 -11.1 44 83 A G H > S+ 0 0 4 329,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.787 112.9 54.2 -57.3 -26.2 -49.4 29.7 -7.8 45 84 A M H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.899 110.6 41.8 -77.5 -43.5 -52.7 28.1 -8.7 46 85 A S H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.940 113.3 54.6 -66.9 -48.0 -51.7 26.8 -12.1 47 86 A L H X S+ 0 0 11 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.937 111.5 44.9 -47.7 -53.6 -48.4 25.7 -10.8 48 87 A A H X S+ 0 0 11 -4,-1.8 4,-1.1 -5,-0.2 3,-0.2 0.914 114.9 46.2 -60.1 -48.3 -50.1 23.6 -8.0 49 88 A M H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.837 106.9 59.7 -64.7 -34.1 -52.7 22.1 -10.3 50 89 A T H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.858 97.9 58.8 -64.6 -37.3 -50.1 21.2 -13.0 51 90 A G H >X S+ 0 0 25 -4,-1.5 4,-1.0 -3,-0.2 3,-0.8 0.915 108.0 46.3 -55.5 -44.2 -48.3 19.1 -10.4 52 91 A L H 3X S+ 0 0 23 -4,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.869 101.6 64.2 -65.7 -38.6 -51.4 17.0 -10.1 53 92 A M H 3< S+ 0 0 9 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.694 98.4 59.9 -61.4 -17.1 -51.9 16.9 -13.9 54 93 A L H << S+ 0 0 22 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.969 107.3 40.3 -71.2 -57.3 -48.6 14.9 -13.8 55 94 A G H < S+ 0 0 8 -4,-1.0 255,-1.0 254,-0.1 254,-0.7 0.590 104.8 88.5 -70.3 -11.0 -49.9 12.1 -11.6 56 95 A A < - 0 0 2 -4,-1.3 2,-0.3 253,-0.1 251,-0.2 -0.333 61.1-158.1 -83.2 168.5 -53.2 12.0 -13.4 57 96 A T > - 0 0 66 249,-0.8 3,-1.1 -2,-0.1 249,-0.3 -0.994 44.3 -24.5-150.1 143.3 -54.0 10.0 -16.5 58 97 A G T 3> S+ 0 0 35 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.163 123.8 9.6 58.9-149.7 -56.5 10.2 -19.4 59 98 A P H 3> S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.720 133.9 50.2 -29.4 -44.4 -59.9 11.9 -18.9 60 99 A T H <> S+ 0 0 4 -3,-1.1 4,-1.5 2,-0.2 3,-0.2 0.998 115.2 38.6 -62.4 -67.2 -58.7 13.3 -15.6 61 100 A E H > S+ 0 0 57 1,-0.2 4,-1.9 -4,-0.2 3,-0.3 0.880 116.0 53.6 -50.1 -46.9 -55.4 14.8 -16.8 62 101 A T H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.928 105.9 52.9 -56.8 -46.5 -56.9 16.0 -20.1 63 102 A Q H X S+ 0 0 38 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.820 107.2 51.7 -62.4 -34.3 -59.6 17.9 -18.3 64 103 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.948 107.4 52.1 -66.3 -49.3 -57.2 19.8 -16.1 65 104 A K H <>S+ 0 0 40 -4,-1.9 5,-1.9 1,-0.2 -2,-0.2 0.884 113.3 44.3 -54.3 -43.1 -55.1 20.9 -19.0 66 105 A R H ><5S+ 0 0 115 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.913 110.9 54.8 -69.0 -40.8 -58.2 22.2 -20.8 67 106 A G H 3<5S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.713 102.2 57.0 -67.3 -21.9 -59.4 23.9 -17.6 68 107 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.2 -46,-0.2 0.208 116.3-113.9 -94.6 15.6 -56.2 25.7 -17.1 69 108 A H T < 5S+ 0 0 59 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.848 89.8 101.3 59.8 37.9 -56.6 27.3 -20.6 70 109 A L < + 0 0 0 -5,-1.9 3,-0.3 2,-0.1 -4,-0.1 -0.172 22.2 116.3-151.2 53.3 -53.6 25.6 -22.0 71 110 A Q S S+ 0 0 87 -5,-0.2 -5,-0.1 1,-0.2 -1,-0.1 0.468 70.8 78.0 -89.4 -5.1 -54.5 22.5 -24.2 72 111 A A S S+ 0 0 63 -6,-0.1 2,-0.6 -58,-0.1 -1,-0.2 0.711 71.9 88.4 -76.7 -23.0 -52.9 24.5 -27.0 73 112 A L - 0 0 11 -3,-0.3 7,-0.0 1,-0.1 -3,-0.0 -0.703 62.1-168.6 -78.0 120.6 -49.4 23.7 -25.8 74 113 A K + 0 0 158 -2,-0.6 -1,-0.1 2,-0.0 2,-0.1 -0.636 27.8 143.1-116.2 73.6 -48.5 20.4 -27.5 75 114 A P - 0 0 37 0, 0.0 2,-0.8 0, 0.0 -71,-0.0 -0.197 55.5 -81.7-103.2-170.8 -45.4 19.1 -25.8 76 115 A T S > S- 0 0 127 -2,-0.1 3,-1.4 -72,-0.0 4,-0.1 -0.832 70.6 -75.4 -99.5 103.5 -43.7 15.9 -24.6 77 116 A K G > S+ 0 0 124 -2,-0.8 3,-0.8 1,-0.2 -1,-0.0 -0.261 111.8 8.6 56.9-120.2 -45.0 14.7 -21.3 78 117 A P G > S+ 0 0 24 0, 0.0 3,-2.6 0, 0.0 -1,-0.2 0.600 96.2 97.7 -76.4 -13.1 -43.7 16.5 -18.2 79 118 A G G <> S+ 0 0 19 -3,-1.4 4,-1.2 1,-0.3 -2,-0.1 0.747 73.9 71.1 -47.1 -26.6 -42.0 19.5 -19.8 80 119 A L H <> S+ 0 0 6 -3,-0.8 4,-0.8 1,-0.2 -1,-0.3 0.843 99.1 45.6 -60.1 -35.4 -45.2 21.4 -19.2 81 120 A L H X> S+ 0 0 4 -3,-2.6 4,-3.6 2,-0.2 3,-0.6 0.933 99.8 63.8 -78.6 -47.9 -44.5 21.5 -15.5 82 121 A P H 3> S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.837 99.1 60.1 -43.0 -38.7 -40.8 22.5 -15.5 83 122 A S H 3X S+ 0 0 29 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.968 116.5 29.8 -52.0 -55.7 -42.0 25.7 -17.1 84 123 A L H -m 133 0C 60 60,-1.4 3,-1.0 23,-0.2 2,-0.5 -0.402 40.4-117.5 -70.2 150.6 -53.0 9.7 3.5 110 149 A K T 3 S+ 0 0 66 23,-1.4 -1,-0.1 1,-0.2 24,-0.1 -0.027 106.0 51.4 -84.9 35.4 -50.6 7.3 5.3 111 150 A D T 3 S+ 0 0 108 -2,-0.5 -1,-0.2 202,-0.0 202,-0.1 0.432 71.1 121.2-143.6 -10.2 -51.2 4.4 3.0 112 151 A F < - 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0 0 30 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.1 -0.833 54.5-133.3-111.9 93.3 -43.1 20.1 -2.4 129 168 A E - 0 0 72 -2,-0.7 -23,-0.8 -25,-0.1 2,-0.1 -0.216 19.3-141.9 -50.6 113.2 -42.4 17.6 0.4 130 169 A C B -j 106 0B 76 -25,-0.2 -23,-0.2 -11,-0.1 -1,-0.1 -0.427 12.1-156.2 -72.2 154.9 -45.4 15.3 0.6 131 170 A V - 0 0 20 -25,-1.9 -21,-0.1 -2,-0.1 -1,-0.0 -0.687 9.1-140.8-143.8 86.0 -46.4 14.3 4.2 132 171 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.130 32.0-163.6 -44.0 137.1 -48.3 11.1 4.9 133 172 A M B -m 109 0C 6 -25,-2.4 -23,-1.4 -26,-0.0 2,-1.0 -0.855 31.3-120.2-132.2 161.8 -50.9 11.8 7.6 134 173 A N + 0 0 63 -2,-0.3 3,-0.5 1,-0.2 7,-0.4 -0.619 33.0 171.1 -99.0 70.9 -53.1 10.2 10.2 135 174 A F S S+ 0 0 1 -2,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.583 75.9 64.8 -61.8 -6.4 -56.5 11.6 9.0 136 175 A R S S+ 0 0 83 1,-0.2 2,-2.4 -3,-0.1 -1,-0.2 0.945 97.9 49.8 -76.0 -56.0 -58.0 9.1 11.4 137 176 A N S >> S+ 0 0 106 -3,-0.5 4,-1.9 1,-0.2 3,-1.4 -0.325 81.4 171.3 -73.9 54.8 -56.5 10.8 14.5 138 177 A A H 3> + 0 0 28 -2,-2.4 4,-2.4 -3,-0.5 -1,-0.2 0.786 68.1 56.1 -38.7 -47.6 -57.9 14.0 13.0 139 178 A S H 3> S+ 0 0 109 -3,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.908 111.1 43.7 -55.9 -45.6 -57.2 16.1 16.0 140 179 A Q H <> S+ 0 0 34 -3,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.868 110.7 56.8 -66.7 -37.4 -53.5 15.1 15.9 141 180 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 -7,-0.4 -2,-0.2 0.892 103.6 52.3 -63.9 -43.0 -53.4 15.7 12.1 142 181 A K H X S+ 0 0 79 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.968 109.4 48.9 -56.6 -55.9 -54.6 19.3 12.3 143 182 A R H X S+ 0 0 60 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.926 109.3 52.6 -50.4 -53.4 -51.9 20.3 14.8 144 183 A L H X S+ 0 0 79 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.923 112.4 43.9 -50.0 -53.7 -49.1 18.7 12.8 145 184 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.970 110.7 51.9 -59.8 -58.7 -50.0 20.5 9.6 146 185 A N H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.814 114.7 47.4 -47.1 -33.0 -50.6 23.9 11.2 147 186 A H H X S+ 0 0 133 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.961 107.1 52.8 -73.7 -55.7 -47.2 23.5 12.7 148 187 A Y H X S+ 0 0 111 -4,-3.1 4,-2.2 1,-0.2 3,-0.3 0.895 118.2 39.5 -43.1 -47.7 -45.4 22.4 9.5 149 188 A I H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 5,-0.4 0.936 107.0 60.7 -71.5 -48.2 -46.8 25.5 7.9 150 189 A N H <>S+ 0 0 64 -4,-2.4 5,-2.3 -5,-0.3 -1,-0.2 0.724 113.7 43.4 -51.1 -20.2 -46.2 27.7 10.9 151 190 A K H ><5S+ 0 0 56 -4,-1.5 3,-1.9 -3,-0.3 -2,-0.2 0.930 113.6 41.4 -88.6 -70.0 -42.6 26.7 10.3 152 191 A E H 3<5S+ 0 0 55 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.647 122.0 47.5 -56.8 -12.6 -41.9 26.9 6.6 153 192 A T T ><5S- 0 0 3 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.3 0.614 108.2-128.0-101.0 -18.5 -43.9 30.1 6.7 154 193 A R T < 5 - 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