==== 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 11-JUL-10 3NWU . 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 . 556 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 37.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 37 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 0 4 11 6 9 3 1 1 1 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 3 3 0 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 1 161 A D > 0 0 90 0, 0.0 3,-0.6 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 159.4 -26.1 60.7 -52.9 2 162 A P T 3 + 0 0 118 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.543 360.0 63.5 -78.2 -8.3 -24.1 61.7 -49.8 3 163 A N T 3 S+ 0 0 112 4,-0.1 5,-0.1 5,-0.0 4,-0.0 0.665 75.0 126.4 -81.2 -21.1 -27.0 64.2 -49.2 4 164 A S X> - 0 0 20 -3,-0.6 3,-2.1 1,-0.1 4,-2.0 -0.013 69.8-124.7 -46.3 137.9 -29.6 61.4 -48.7 5 165 A L H 3> S+ 0 0 34 1,-0.3 4,-2.1 529,-0.2 5,-0.3 0.889 110.1 63.2 -51.7 -42.1 -31.6 61.7 -45.5 6 166 A R H 34 S+ 0 0 39 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.674 108.5 38.7 -56.6 -24.6 -30.5 58.1 -44.7 7 167 A H H <4 S+ 0 0 132 -3,-2.1 -2,-0.2 -6,-0.1 -1,-0.2 0.869 118.3 43.2 -94.4 -45.4 -26.8 59.1 -44.5 8 168 A K H < S+ 0 0 104 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.734 120.5 37.3 -78.3 -19.5 -26.9 62.5 -42.8 9 169 A Y S < S+ 0 0 30 -4,-2.1 2,-2.1 -5,-0.3 3,-0.3 0.569 80.7 97.4-112.7 -6.8 -29.4 61.7 -40.1 10 170 A N > + 0 0 3 -5,-0.3 4,-1.1 -4,-0.3 3,-0.3 -0.237 39.3 145.3 -82.0 57.6 -28.8 58.2 -38.9 11 171 A F H > + 0 0 1 -2,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.771 65.5 59.1 -66.1 -27.2 -26.7 59.2 -35.9 12 172 A I H > S+ 0 0 0 -3,-0.3 4,-2.3 476,-0.3 -1,-0.2 0.924 100.7 56.2 -66.3 -41.5 -28.0 56.4 -33.6 13 173 A A H > S+ 0 0 1 475,-0.8 4,-2.3 -3,-0.3 -1,-0.2 0.863 105.6 53.4 -59.7 -34.5 -26.7 53.8 -36.1 14 174 A D H X S+ 0 0 59 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.928 108.8 46.4 -65.4 -49.9 -23.2 55.4 -35.7 15 175 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.886 112.1 51.8 -59.1 -39.5 -23.2 55.2 -31.9 16 176 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 104.9 56.0 -66.8 -44.6 -24.4 51.6 -32.1 17 177 A E H < S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.8 43.8 -47.8 -45.7 -21.6 50.6 -34.5 18 178 A K H < S+ 0 0 127 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 120.7 35.8 -78.8 -33.7 -19.0 51.9 -32.1 19 179 A I H >X S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.1 4,-0.6 0.726 91.9 87.0 -93.5 -23.1 -20.3 50.5 -28.8 20 180 A A G >< S+ 0 0 11 -4,-2.5 3,-1.4 1,-0.3 -1,-0.1 0.829 83.5 57.0 -51.6 -41.4 -21.7 47.1 -29.8 21 181 A P G 34 S+ 0 0 50 0, 0.0 52,-0.4 0, 0.0 -1,-0.3 0.703 102.0 55.8 -69.0 -16.9 -18.5 45.1 -29.6 22 182 A A G <4 S+ 0 0 2 -3,-2.1 26,-2.6 -4,-0.1 2,-0.4 0.529 89.5 93.3 -89.5 -6.4 -18.0 46.0 -25.9 23 183 A V E << -A 47 0A 1 -3,-1.4 24,-0.3 -4,-0.6 2,-0.2 -0.765 60.3-169.1 -89.4 130.8 -21.5 44.7 -25.0 24 184 A V E -A 46 0A 2 22,-2.0 22,-1.6 -2,-0.4 2,-0.4 -0.663 20.5-124.2-115.0 165.4 -21.6 41.0 -23.8 25 185 A H E -AB 45 71A 2 46,-2.5 46,-2.4 -2,-0.2 2,-0.3 -0.914 26.4-157.7-108.9 140.1 -24.2 38.4 -23.1 26 186 A I E -AB 44 70A 0 18,-2.7 18,-2.1 -2,-0.4 2,-0.4 -0.921 9.9-174.1-123.2 146.8 -24.3 36.8 -19.6 27 187 A E E -AB 43 69A 44 42,-1.9 42,-2.1 -2,-0.3 2,-0.3 -0.988 11.3-151.3-141.0 122.2 -25.8 33.4 -18.4 28 188 A L E -AB 42 68A 6 14,-1.5 13,-2.3 -2,-0.4 14,-0.9 -0.752 17.6-166.6 -92.5 148.6 -26.0 32.1 -14.9 29 189 A F E -AB 40 67A 21 38,-2.1 38,-1.3 -2,-0.3 2,-0.4 -0.907 9.9-159.2-131.3 157.1 -26.0 28.4 -14.1 30 190 A R E -A 39 0A 120 9,-1.9 9,-2.1 -2,-0.3 2,-0.3 -0.996 23.4-119.8-136.2 145.1 -26.7 26.0 -11.3 31 191 A K E -A 38 0A 33 -2,-0.4 7,-0.2 7,-0.3 6,-0.1 -0.643 34.2-132.6 -71.4 130.8 -25.7 22.4 -10.5 32 192 A L - 0 0 64 5,-2.5 -1,-0.1 -2,-0.3 6,-0.0 -0.319 7.3-132.1 -74.4 166.5 -28.8 20.1 -10.3 33 193 A P S S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.854 108.5 52.6 -84.8 -41.5 -29.2 17.7 -7.3 34 194 A F S S+ 0 0 101 2,-0.0 -3,-0.0 -3,-0.0 0, 0.0 0.982 122.1 22.1 -39.7 -82.2 -30.0 14.9 -9.8 35 195 A S S S- 0 0 58 2,-0.1 -4,-0.0 1,-0.1 0, 0.0 0.020 70.1-127.7 -79.9 179.4 -26.8 15.4 -11.9 36 196 A K S S+ 0 0 93 -5,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.570 86.9 103.7 -89.3 -26.8 -23.4 17.0 -11.3 37 197 A R - 0 0 170 -6,-0.1 -5,-2.5 1,-0.1 2,-0.4 -0.023 67.9-131.7 -52.1 151.7 -24.4 18.9 -14.5 38 198 A E E -A 31 0A 86 -7,-0.2 -7,-0.3 -9,-0.0 -1,-0.1 -0.909 12.6-158.1-119.9 146.4 -25.6 22.5 -14.6 39 199 A V E -A 30 0A 51 -9,-2.1 -9,-1.9 -2,-0.4 2,-0.1 -0.798 32.5 -94.9-116.5 148.5 -28.5 24.2 -16.3 40 200 A P E +A 29 0A 85 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.393 44.5 164.9 -66.8 147.8 -29.1 27.8 -17.3 41 201 A V E + 0 0 100 -13,-2.3 2,-0.3 1,-0.6 -12,-0.2 0.613 58.8 12.5-139.1 -41.2 -31.1 29.7 -14.8 42 202 A A E -A 28 0A 36 -14,-0.9 -14,-1.5 19,-0.1 -1,-0.6 -0.871 60.1-168.8-136.7 174.0 -30.8 33.5 -15.4 43 203 A S E +A 27 0A 61 -2,-0.3 -16,-0.2 -16,-0.2 2,-0.2 -0.928 17.9 133.2-168.6 139.5 -29.6 35.6 -18.3 44 204 A G E -A 26 0A 2 -18,-2.1 -18,-2.7 -2,-0.3 2,-0.3 -0.777 40.0 -87.2-162.3-155.9 -28.7 39.2 -19.0 45 205 A S E +A 25 0A 0 110,-1.1 13,-0.4 -20,-0.2 2,-0.3 -0.872 31.3 163.8-134.8 160.8 -26.3 41.7 -20.5 46 206 A G E -A 24 0A 0 -22,-1.6 -22,-2.0 -2,-0.3 2,-0.3 -0.879 23.0-126.0-156.3-170.6 -23.2 43.6 -19.5 47 207 A F E -AC 23 56A 0 9,-1.7 9,-2.8 -24,-0.3 2,-0.4 -0.990 23.3-105.2-150.8 155.7 -20.4 45.6 -21.0 48 208 A I E + C 0 55A 1 -26,-2.6 57,-2.3 -2,-0.3 7,-0.2 -0.660 29.6 172.5 -87.3 125.3 -16.5 45.6 -20.8 49 209 A V E + 0 0 32 5,-3.0 2,-0.3 -2,-0.4 6,-0.2 0.604 67.8 41.5-105.3 -16.0 -14.9 48.5 -18.8 50 210 A S E >> S- C 0 54A 32 4,-1.1 3,-2.2 53,-0.2 4,-0.9 -0.998 76.1-128.5-141.4 136.9 -11.2 47.4 -18.9 51 211 A E T 34 S+ 0 0 127 -2,-0.3 51,-1.7 1,-0.3 -1,-0.0 0.640 106.7 64.7 -67.4 -16.3 -9.2 45.9 -21.8 52 212 A D T 34 S- 0 0 90 49,-0.2 -1,-0.3 45,-0.0 46,-0.2 0.260 128.5 -86.2 -87.0 6.0 -8.1 43.0 -19.6 53 213 A G T <4 + 0 0 0 -3,-2.2 43,-2.0 1,-0.3 2,-0.5 0.760 69.4 155.2 101.5 30.0 -11.7 41.7 -19.3 54 214 A L E < -CD 50 95A 43 -4,-0.9 -5,-3.0 41,-0.2 -4,-1.1 -0.772 24.8-166.2 -85.3 124.0 -13.4 43.5 -16.4 55 215 A I E -CD 48 94A 0 39,-3.6 39,-2.9 -2,-0.5 2,-0.4 -0.937 9.9-151.4-120.6 134.8 -17.2 43.5 -17.0 56 216 A V E +CD 47 93A 0 -9,-2.8 -9,-1.7 -2,-0.4 2,-0.3 -0.831 27.0 145.3-104.3 139.2 -20.0 45.5 -15.4 57 217 A T E - D 0 92A 0 35,-2.1 35,-3.2 -2,-0.4 2,-0.2 -0.905 49.1 -79.1-151.4-178.4 -23.6 44.4 -15.0 58 218 A N >> - 0 0 9 -13,-0.4 3,-1.4 33,-0.3 4,-0.9 -0.573 38.2-115.3 -90.6 163.6 -26.4 44.8 -12.4 59 219 A A T 34 S+ 0 0 3 1,-0.3 32,-0.1 2,-0.2 -1,-0.1 0.540 111.1 61.5 -75.6 -13.4 -26.6 42.7 -9.3 60 220 A H T 34 S+ 0 0 157 30,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.466 101.3 54.1 -91.1 -2.9 -29.9 41.0 -10.3 61 221 A V T <4 S+ 0 0 13 -3,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.772 119.0 27.9 -89.7 -33.4 -28.2 39.4 -13.4 62 222 A V < + 0 0 0 -4,-0.9 2,-0.3 -19,-0.1 -1,-0.3 -0.994 66.3 166.9-137.1 129.4 -25.3 37.9 -11.4 63 223 A T - 0 0 43 -2,-0.4 19,-0.0 2,-0.1 -3,-0.0 -0.980 52.1-105.6-140.2 157.3 -25.1 36.7 -7.8 64 224 A N S S+ 0 0 122 -2,-0.3 2,-2.6 1,-0.2 18,-0.1 0.784 106.4 88.8 -48.6 -29.3 -22.7 34.6 -5.6 65 225 A K S S+ 0 0 79 -35,-0.0 -1,-0.2 2,-0.0 2,-0.2 -0.417 92.4 21.6 -65.1 64.7 -25.5 32.0 -6.0 66 226 A H S S- 0 0 22 -2,-2.6 2,-0.4 -4,-0.1 -36,-0.2 -0.772 75.8 -90.1 158.6 163.5 -24.0 30.6 -9.3 67 227 A R E -B 29 0A 26 -38,-1.3 -38,-2.1 -2,-0.2 2,-0.5 -0.857 45.7-145.8 -92.8 138.6 -21.4 29.8 -12.0 68 228 A V E -BE 28 80A 3 12,-0.6 12,-2.6 -2,-0.4 2,-0.4 -0.923 16.2-172.3-122.7 118.6 -21.2 32.5 -14.7 69 229 A K E -BE 27 79A 85 -42,-2.1 -42,-1.9 -2,-0.5 2,-0.4 -0.850 9.5-157.0-102.7 145.2 -20.5 32.2 -18.5 70 230 A V E -BE 26 78A 0 8,-3.2 8,-2.8 -2,-0.4 2,-0.5 -0.953 1.7-158.6-118.5 139.6 -19.9 35.2 -20.8 71 231 A E E -BE 25 77A 26 -46,-2.4 -46,-2.5 -2,-0.4 6,-0.2 -0.978 14.1-143.2-115.2 128.4 -20.4 35.3 -24.6 72 232 A L > - 0 0 16 4,-2.8 3,-2.2 -2,-0.5 -48,-0.1 -0.436 34.3 -97.1 -82.7 167.8 -18.6 38.0 -26.6 73 233 A K T 3 S+ 0 0 83 -52,-0.4 -1,-0.1 1,-0.3 -51,-0.1 0.767 122.3 53.8 -60.8 -25.3 -20.3 39.7 -29.5 74 234 A N T 3 S- 0 0 124 -53,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.377 124.5 -94.0 -91.9 1.9 -18.5 37.3 -31.9 75 235 A G S < S+ 0 0 39 -3,-2.2 -2,-0.1 1,-0.4 53,-0.1 0.145 79.4 141.1 104.2 -20.3 -19.6 34.0 -30.4 76 236 A A - 0 0 22 -5,-0.1 -4,-2.8 51,-0.1 -1,-0.4 -0.251 35.7-159.0 -50.2 142.0 -16.5 33.7 -28.2 77 237 A T E +E 71 0A 85 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.992 14.3 175.2-139.9 135.8 -17.4 32.3 -24.8 78 238 A Y E -E 70 0A 35 -8,-2.8 -8,-3.2 -2,-0.4 2,-0.2 -0.980 31.3-118.9-140.1 142.8 -15.6 32.5 -21.5 79 239 A E E -E 69 0A 134 -2,-0.3 18,-0.5 -10,-0.2 2,-0.3 -0.593 37.3-151.1 -77.9 145.7 -16.1 31.5 -17.8 80 240 A A E -E 68 0A 11 -12,-2.6 -12,-0.6 -2,-0.2 2,-0.4 -0.874 9.0-138.0-124.4 152.8 -16.1 34.5 -15.5 81 241 A K E -F 95 0A 167 14,-2.1 14,-2.2 -2,-0.3 2,-1.0 -0.915 24.7-122.0-110.9 136.3 -15.2 35.0 -11.9 82 242 A I E +F 94 0A 44 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.683 31.9 176.5 -80.9 104.6 -17.3 37.2 -9.7 83 243 A K E - 0 0 146 10,-1.1 2,-0.3 -2,-1.0 -1,-0.2 0.885 63.7 -12.4 -71.3 -41.2 -14.9 39.9 -8.5 84 244 A D E -F 93 0A 81 9,-1.9 9,-2.9 2,-0.0 2,-0.4 -0.973 49.6-167.3-169.2 144.7 -17.5 41.9 -6.6 85 245 A V E -F 92 0A 21 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.915 1.3-172.1-145.5 107.5 -21.2 42.4 -6.0 86 246 A D E >> +F 91 0A 56 5,-2.2 5,-1.3 -2,-0.4 4,-1.1 -0.754 6.1 179.7-102.1 86.6 -22.8 45.4 -4.2 87 247 A E T 45S+ 0 0 131 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.640 77.0 65.7 -67.9 -10.0 -26.4 44.4 -3.9 88 248 A K T 45S+ 0 0 198 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.987 114.2 29.0 -67.5 -59.2 -27.2 47.6 -2.2 89 249 A A T 45S- 0 0 12 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.490 110.9-122.4 -79.1 -3.6 -26.4 49.7 -5.3 90 250 A D T <5 + 0 0 20 -4,-1.1 2,-0.3 1,-0.2 -30,-0.2 0.922 66.7 128.2 60.4 49.9 -27.4 46.8 -7.6 91 251 A I E < - F 0 86A 0 -5,-1.3 -5,-2.2 -33,-0.3 2,-0.3 -0.993 36.8-166.7-133.0 141.4 -24.1 46.5 -9.5 92 252 A A E -DF 57 85A 0 -35,-3.2 -35,-2.1 -2,-0.3 2,-0.4 -0.924 6.6-155.3-126.3 157.3 -21.8 43.5 -10.2 93 253 A L E +DF 56 84A 16 -9,-2.9 -9,-1.9 -2,-0.3 -10,-1.1 -0.997 17.9 172.8-129.6 126.0 -18.3 43.2 -11.4 94 254 A I E -DF 55 82A 0 -39,-2.9 -39,-3.6 -2,-0.4 2,-0.4 -0.935 15.8-145.4-132.5 162.2 -17.0 40.2 -13.2 95 255 A K E -DF 54 81A 48 -14,-2.2 -14,-2.1 -2,-0.3 2,-0.3 -0.962 8.7-170.5-128.1 144.9 -13.8 39.2 -14.9 96 256 A I - 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