==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE SUBSTRATE 16-JUL-10 3NZI . COMPND 2 MOLECULE: SERINE PROTEASE HTRA1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TRUEBESTEIN,A.TENNSTAEDT,P.HAUSKE,T.KROJER,M.KAISER,T.CLAU . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 3 1 3 2 0 1 0 0 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 0 0 0 0 1 0 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 1 160 A E 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.9 15.7 6.6 22.3 2 161 A D > - 0 0 72 1,-0.2 3,-2.8 2,-0.1 6,-0.2 -0.567 360.0-152.5 -69.7 103.3 12.5 7.9 24.1 3 162 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.353 87.6 81.0 -74.5 8.9 10.1 5.0 23.5 4 163 A N T 3 S+ 0 0 144 4,-0.1 -2,-0.1 5,-0.0 5,-0.0 0.682 76.1 116.8 -66.7 -24.4 7.1 7.3 23.8 5 164 A S S <> S- 0 0 42 -3,-2.8 4,-2.3 1,-0.1 5,-0.2 -0.127 74.6-136.0 -39.8 129.5 8.3 7.8 20.1 6 165 A L H > S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.907 106.2 58.2 -56.6 -41.8 6.0 6.8 17.3 7 166 A R H > S+ 0 0 197 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.862 109.7 41.1 -58.5 -40.4 9.0 5.2 15.6 8 167 A H H 4 S+ 0 0 106 -6,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.858 120.9 41.2 -81.1 -37.1 9.8 2.9 18.6 9 168 A K H < S+ 0 0 114 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.971 121.0 35.3 -70.1 -53.4 6.2 1.9 19.4 10 169 A Y H < S+ 0 0 131 -4,-2.7 2,-1.6 -5,-0.2 3,-0.3 0.437 81.1 99.7 -97.4 2.8 4.7 1.4 15.9 11 170 A N X + 0 0 82 -4,-0.8 4,-1.0 -5,-0.3 -1,-0.2 -0.274 36.6 142.1 -87.7 58.8 7.4 -0.1 13.6 12 171 A F H > + 0 0 79 -2,-1.6 4,-1.8 1,-0.2 3,-0.4 0.843 65.7 58.7 -64.0 -37.8 6.2 -3.7 13.8 13 172 A I H > S+ 0 0 40 -3,-0.3 4,-2.7 1,-0.2 5,-0.3 0.952 101.8 56.5 -58.1 -47.9 6.9 -4.5 10.2 14 173 A A H > S+ 0 0 49 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.822 106.0 51.7 -48.6 -38.8 10.6 -3.6 10.8 15 174 A D H X S+ 0 0 86 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.3 0.907 110.0 47.1 -67.0 -43.0 10.6 -6.2 13.6 16 175 A V H X S+ 0 0 5 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.881 111.5 50.7 -68.9 -37.3 9.2 -8.9 11.4 17 176 A V H X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.871 104.8 58.2 -66.8 -37.9 11.6 -8.2 8.6 18 177 A E H < S+ 0 0 153 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.930 111.9 41.6 -56.7 -44.9 14.5 -8.3 11.1 19 178 A K H < S+ 0 0 139 -4,-1.6 4,-0.2 1,-0.2 -2,-0.2 0.979 123.3 33.7 -64.1 -56.6 13.5 -11.9 11.9 20 179 A I H >< S+ 0 0 3 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.686 90.5 91.3 -82.8 -20.7 12.7 -13.3 8.5 21 180 A A G >< S+ 0 0 9 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.787 84.7 50.7 -50.8 -43.7 15.2 -11.5 6.2 22 181 A P G 3 S+ 0 0 48 0, 0.0 52,-0.4 0, 0.0 -1,-0.3 0.760 103.4 59.5 -72.5 -20.6 18.1 -14.0 6.3 23 182 A A G < S+ 0 0 2 -3,-1.5 26,-2.6 -4,-0.2 2,-0.5 0.434 88.4 92.4 -81.9 -0.1 15.9 -17.0 5.5 24 183 A V E < -A 48 0A 4 -3,-1.3 50,-0.4 -4,-0.3 2,-0.3 -0.849 59.1-169.8-104.5 131.7 14.9 -15.4 2.2 25 184 A V E -A 47 0A 4 22,-4.0 22,-2.1 -2,-0.5 2,-0.6 -0.843 21.9-130.2-125.9 153.1 16.9 -16.2 -1.0 26 185 A H E -AB 46 72A 13 46,-2.4 46,-3.1 -2,-0.3 2,-0.5 -0.907 22.6-152.1-104.9 119.7 17.2 -15.0 -4.6 27 186 A I E -AB 45 71A 2 18,-1.4 18,-2.5 -2,-0.6 2,-0.3 -0.804 8.8-164.7 -96.5 126.6 17.0 -17.7 -7.2 28 187 A E E -AB 44 70A 41 42,-1.0 42,-1.8 -2,-0.5 2,-0.4 -0.850 5.8-151.8-108.0 146.3 18.9 -17.2 -10.6 29 188 A L E - B 0 69A 9 14,-1.9 13,-2.2 -2,-0.3 2,-0.4 -0.965 8.0-166.6-123.4 139.2 18.3 -19.2 -13.7 30 189 A F E -AB 41 68A 24 38,-1.9 38,-1.0 -2,-0.4 37,-1.0 -0.971 9.7-179.0-126.2 133.6 20.6 -20.1 -16.6 31 190 A R E -A 40 0A 150 9,-1.9 9,-2.1 -2,-0.4 2,-0.3 -0.851 33.1-117.0-110.7 159.8 20.1 -21.5 -20.0 32 191 A K E -A 39 0A 99 -2,-0.3 7,-0.2 7,-0.3 5,-0.1 -0.703 36.9 -90.2 -96.3 153.4 23.1 -22.1 -22.3 33 192 A L - 0 0 65 5,-2.5 3,-0.3 -2,-0.3 -1,-0.1 -0.050 52.7 -87.9 -56.6 163.5 23.5 -20.3 -25.6 34 193 A P S S- 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.835 117.1 -3.8 -46.0 -46.6 22.0 -22.0 -28.7 35 194 A F S S+ 0 0 202 3,-0.0 2,-0.1 0, 0.0 -2,-0.1 0.180 115.1 91.4-134.4 15.6 25.2 -24.1 -29.5 36 195 A S S S- 0 0 61 -3,-0.3 -4,-0.1 2,-0.2 0, 0.0 -0.428 72.5-127.4-104.2 178.6 27.8 -23.0 -26.9 37 196 A K S S+ 0 0 193 -2,-0.1 2,-0.2 -5,-0.1 -1,-0.1 0.465 77.3 112.3 -94.7 -10.2 28.7 -24.2 -23.4 38 197 A R - 0 0 184 -6,-0.1 -5,-2.5 1,-0.1 2,-0.6 -0.443 59.7-145.9 -72.9 133.7 28.3 -20.6 -22.1 39 198 A E E -A 32 0A 62 -7,-0.2 -7,-0.3 -2,-0.2 -1,-0.1 -0.889 12.2-169.2-107.2 121.0 25.4 -20.0 -19.7 40 199 A V E -A 31 0A 80 -9,-2.1 -9,-1.9 -2,-0.6 2,-0.5 -0.847 31.0-110.3-103.1 142.7 23.5 -16.8 -19.8 41 200 A P E +A 30 0A 76 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.640 42.5 166.8 -76.5 125.4 21.0 -15.9 -17.0 42 201 A V E + 0 0 99 -13,-2.2 -12,-0.1 -2,-0.5 2,-0.1 0.875 53.3 24.5 -99.2 -71.4 17.4 -16.0 -18.2 43 202 A A E - 0 0 43 19,-0.1 -14,-1.9 20,-0.0 2,-0.3 -0.446 58.9-156.2 -98.3 167.2 14.8 -16.0 -15.4 44 203 A S E +A 28 0A 31 -16,-0.2 2,-0.2 -2,-0.1 -16,-0.2 -0.990 21.0 151.0-142.8 147.9 14.8 -14.8 -11.8 45 204 A G E -A 27 0A 0 -18,-2.5 -18,-1.4 -2,-0.3 2,-0.3 -0.771 29.0-109.9-155.3-163.6 12.7 -15.8 -8.8 46 205 A S E +A 26 0A 0 123,-2.1 13,-0.4 -20,-0.2 2,-0.3 -0.946 24.5 165.0-145.8 160.4 12.6 -16.1 -5.0 47 206 A G E -A 25 0A 0 -22,-2.1 -22,-4.0 -2,-0.3 2,-0.3 -0.984 22.7-128.1-166.3 167.6 12.5 -18.6 -2.2 48 207 A F E -AC 24 57A 0 9,-1.5 9,-2.2 122,-0.3 2,-0.3 -0.952 28.6-109.5-127.5 150.1 12.9 -19.3 1.6 49 208 A I E + C 0 56A 1 -26,-2.6 57,-1.9 -2,-0.3 7,-0.2 -0.568 29.8 176.2 -77.7 134.3 14.9 -21.7 3.6 50 209 A V + 0 0 37 5,-3.2 2,-0.3 -2,-0.3 6,-0.2 0.169 63.4 39.9-126.8 15.5 12.9 -24.4 5.3 51 210 A S S S- 0 0 19 4,-0.5 -1,-0.2 53,-0.3 4,-0.1 -0.941 76.4-120.9-166.2 143.7 15.6 -26.6 6.9 52 211 A E S S+ 0 0 142 -2,-0.3 51,-2.5 1,-0.2 49,-0.1 0.738 111.4 50.4 -63.8 -27.8 18.9 -25.9 8.7 53 212 A D S S- 0 0 85 49,-0.2 46,-0.9 45,-0.1 -1,-0.2 0.951 130.3 -75.9 -76.5 -53.1 21.0 -28.0 6.1 54 213 A G + 0 0 0 44,-0.1 43,-0.7 49,-0.1 2,-0.3 0.509 68.2 150.1 163.6 27.0 19.5 -26.3 3.0 55 214 A L E - D 0 96A 47 41,-0.2 -5,-3.2 -4,-0.1 -4,-0.5 -0.591 25.9-167.2 -75.5 133.8 16.0 -27.2 1.7 56 215 A I E -CD 49 95A 0 39,-3.1 39,-1.7 -2,-0.3 2,-0.3 -0.980 13.5-146.7-127.7 129.2 14.3 -24.3 -0.1 57 216 A V E +CD 48 94A 0 -9,-2.2 -9,-1.5 -2,-0.4 2,-0.2 -0.741 35.0 141.5 -89.5 142.5 10.7 -23.8 -1.1 58 217 A T E - D 0 93A 0 35,-1.6 35,-1.4 -2,-0.3 2,-0.3 -0.814 51.9 -69.8-152.4-167.5 10.0 -21.9 -4.3 59 218 A N E > - D 0 92A 0 -13,-0.4 4,-0.8 -2,-0.2 3,-0.5 -0.682 30.5-129.2 -91.8 152.4 7.5 -22.1 -7.2 60 219 A A H >> S+ 0 0 3 31,-0.7 4,-2.6 -2,-0.3 3,-2.3 0.996 109.2 56.1 -52.6 -64.7 7.5 -24.8 -9.9 61 220 A H H 34 S+ 0 0 58 1,-0.3 -1,-0.2 2,-0.2 31,-0.1 0.608 100.7 61.4 -50.8 -16.7 7.4 -22.3 -12.7 62 221 A V H 34 S+ 0 0 8 -3,-0.5 -1,-0.3 -16,-0.1 -2,-0.2 0.841 124.4 11.0 -78.3 -35.3 10.6 -20.7 -11.3 63 222 A V H << S+ 0 0 3 -3,-2.3 3,-0.5 -4,-0.8 -2,-0.2 0.740 84.4 127.7-113.6 -34.7 12.8 -23.7 -11.7 64 223 A T S < S- 0 0 39 -4,-2.6 -4,-0.0 1,-0.2 22,-0.0 0.016 89.5 -11.9 -39.2 104.4 11.0 -26.3 -13.8 65 224 A N S S+ 0 0 147 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.980 86.7 139.6 66.1 65.5 13.4 -27.3 -16.6 66 225 A K - 0 0 31 -3,-0.5 -1,-0.2 -35,-0.0 -35,-0.2 -0.899 60.3-116.7-120.9 159.1 16.3 -24.8 -16.7 67 226 A H S S- 0 0 99 -37,-1.0 2,-0.3 -2,-0.3 -36,-0.2 0.740 91.3 -5.4 -70.9 -22.7 19.9 -25.9 -17.3 68 227 A R E -B 30 0A 122 -38,-1.0 -38,-1.9 -5,-0.1 2,-0.4 -0.953 57.9-149.5-167.0 150.1 21.0 -24.8 -13.8 69 228 A V E -BE 29 81A 8 12,-0.6 12,-1.4 -2,-0.3 2,-0.2 -0.995 14.1-172.9-126.5 128.4 19.8 -23.0 -10.7 70 229 A K E -B 28 0A 70 -42,-1.8 -42,-1.0 -2,-0.4 2,-0.3 -0.593 12.9-141.0-106.9 176.0 21.9 -20.9 -8.4 71 230 A V E -B 27 0A 0 8,-0.2 2,-0.6 -44,-0.2 8,-0.4 -0.941 4.3-158.5-145.5 120.2 21.0 -19.3 -5.0 72 231 A E E -B 26 0A 46 -46,-3.1 -46,-2.4 -2,-0.3 6,-0.2 -0.876 15.9-150.1 -97.7 116.8 22.0 -15.9 -3.6 73 232 A L - 0 0 18 4,-1.6 -48,-0.1 -2,-0.6 -50,-0.1 -0.463 29.8-105.1 -79.0 160.9 21.7 -15.6 0.2 74 233 A K S S+ 0 0 99 -52,-0.4 -1,-0.1 -50,-0.4 -51,-0.1 0.941 115.0 6.4 -54.7 -56.4 20.9 -12.2 1.7 75 234 A N S S+ 0 0 140 -53,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.737 124.4 77.4 -96.9 -28.5 24.5 -11.6 3.0 76 235 A G S S- 0 0 37 1,-0.1 2,-0.1 -4,-0.0 -4,-0.0 0.049 77.1-117.2 -72.0-177.0 26.1 -14.6 1.4 77 236 A A - 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