==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-09 3K7L . COMPND 2 MOLECULE: ATRAGIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR H.H.GUAN,W.G.WU,C.J.CHEN . 409 2 17 15 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0.2 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 . 24 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 0 0 1 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 4 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 1 192 A T 0 0 189 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.8 -40.0 16.6 -12.9 2 193 A N - 0 0 52 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.508 360.0-124.0 -60.0 116.9 -37.3 14.6 -10.9 3 194 A T >> - 0 0 68 -2,-0.4 4,-2.1 1,-0.1 3,-1.1 -0.257 22.1-111.2 -55.9 146.9 -38.6 14.0 -7.4 4 195 A P H 3> S+ 0 0 113 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.885 120.5 56.3 -47.6 -36.8 -36.3 15.3 -4.6 5 196 A E H 3> S+ 0 0 50 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.852 104.8 52.2 -68.9 -26.0 -35.6 11.7 -3.6 6 197 A Q H <> S+ 0 0 45 -3,-1.1 4,-2.5 2,-0.2 5,-0.2 0.990 108.0 50.1 -70.2 -51.3 -34.5 11.0 -7.2 7 198 A D H < S+ 0 0 75 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.783 114.2 46.8 -51.3 -31.0 -32.0 13.9 -7.1 8 199 A R H >X S+ 0 0 181 -4,-1.6 3,-1.9 -5,-0.2 4,-0.5 0.898 107.9 52.4 -87.0 -47.0 -30.7 12.6 -3.9 9 200 A Y H >< S+ 0 0 15 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.852 102.6 64.4 -43.2 -39.4 -30.4 9.0 -5.1 10 201 A L T 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.588 103.4 47.9 -66.3 -6.2 -28.4 10.6 -8.0 11 202 A Q T <4 S+ 0 0 102 -3,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.399 78.4 109.8-119.6 -5.5 -25.8 11.7 -5.4 12 203 A A S << S- 0 0 25 -3,-1.0 252,-0.0 -4,-0.5 -3,-0.0 -0.583 82.6-106.3 -66.6 129.2 -25.2 8.5 -3.4 13 204 A K - 0 0 68 -2,-0.3 2,-0.3 44,-0.1 44,-0.2 -0.372 42.3-158.5 -41.3 138.6 -21.7 7.2 -4.3 14 205 A K E -a 57 0A 3 42,-3.2 44,-2.2 -3,-0.1 2,-0.4 -0.946 3.8-152.0-126.7 156.6 -22.2 4.1 -6.6 15 206 A Y E -a 58 0A 16 178,-2.5 2,-0.5 -2,-0.3 180,-0.2 -0.966 12.1-156.7-137.3 144.3 -19.8 1.3 -7.2 16 207 A I E -a 59 0A 0 42,-2.6 44,-3.1 -2,-0.4 2,-1.1 -0.977 11.7-150.4-118.7 119.4 -18.8 -1.2 -9.7 17 208 A E E -a 60 0A 15 -2,-0.5 84,-2.2 42,-0.2 85,-0.7 -0.772 33.7-162.0 -78.6 104.5 -17.0 -4.3 -8.9 18 209 A F E -ab 61 102A 0 42,-2.6 44,-3.0 -2,-1.1 45,-0.9 -0.621 18.4-165.2-102.7 138.3 -15.2 -4.7 -12.1 19 210 A Y E -ab 63 103A 12 83,-0.8 85,-2.0 -2,-0.2 2,-0.4 -0.995 8.6-165.9-122.2 130.1 -13.5 -7.8 -13.6 20 211 A V E -ab 64 104A 0 43,-2.3 45,-2.2 -2,-0.4 2,-0.4 -0.948 4.0-164.2-115.7 144.5 -11.1 -7.5 -16.6 21 212 A V E -ab 65 105A 0 83,-1.6 85,-2.7 -2,-0.4 2,-0.5 -0.942 7.5-153.6-122.7 133.3 -9.8 -10.3 -18.8 22 213 A V E -ab 66 106A 0 43,-2.6 45,-3.0 -2,-0.4 85,-0.2 -0.942 21.4-140.2-108.2 127.4 -6.8 -9.9 -21.1 23 214 A D >> - 0 0 0 83,-2.1 4,-1.9 -2,-0.5 3,-0.5 -0.323 25.6 -97.4 -90.1 174.1 -6.9 -12.3 -24.1 24 215 A N H 3> S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.776 117.2 54.8 -61.1 -31.6 -4.1 -14.2 -25.6 25 216 A I H 3> S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 109.0 45.5 -75.5 -34.2 -3.3 -11.9 -28.4 26 217 A M H <> S+ 0 0 0 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.937 112.5 55.9 -70.8 -33.2 -2.8 -8.8 -26.2 27 218 A Y H ><>S+ 0 0 22 -4,-1.9 5,-2.0 1,-0.3 3,-0.8 0.962 108.6 43.6 -61.6 -55.6 -0.8 -11.0 -24.0 28 219 A R H ><5S+ 0 0 126 -4,-2.9 3,-1.8 1,-0.2 -1,-0.3 0.859 108.7 59.6 -58.0 -30.6 1.6 -12.0 -26.8 29 220 A H H 3<5S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 103.1 53.4 -68.4 -30.6 1.8 -8.4 -28.0 30 221 A Y T X<5S- 0 0 31 -4,-1.6 3,-1.7 -3,-0.8 -1,-0.3 0.053 124.4-104.1 -96.5 30.8 3.1 -7.5 -24.6 31 222 A K T < 5 - 0 0 181 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.777 61.4 -75.7 58.4 30.6 5.9 -10.2 -24.8 32 223 A R T 3 - 0 0 71 -3,-1.7 4,-2.0 -6,-0.4 3,-0.6 -0.665 27.6-172.4 -88.7 93.6 5.2 -10.3 -19.7 34 225 A Q H 3> S+ 0 0 65 -2,-1.0 4,-2.6 1,-0.3 5,-0.2 0.875 80.4 49.4 -66.4 -46.1 2.5 -10.6 -16.9 35 226 A P H 3> S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.880 109.8 53.7 -54.5 -35.6 3.6 -7.8 -14.5 36 227 A V H <> S+ 0 0 35 -3,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.969 112.0 44.9 -63.1 -46.8 3.9 -5.3 -17.4 37 228 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.906 110.8 52.8 -61.8 -41.6 0.3 -6.1 -18.4 38 229 A K H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.942 108.1 52.0 -64.6 -37.8 -1.0 -5.9 -14.9 39 230 A R H X S+ 0 0 148 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.914 109.4 49.2 -60.7 -39.9 0.5 -2.5 -14.4 40 231 A K H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.857 107.9 52.8 -74.3 -36.0 -1.1 -1.2 -17.6 41 232 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.3 0.944 107.4 52.4 -59.6 -43.9 -4.4 -2.5 -16.6 42 233 A Y H X S+ 0 0 57 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.846 109.2 50.5 -61.8 -35.8 -4.0 -0.7 -13.1 43 234 A E H X S+ 0 0 98 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.973 109.7 53.0 -62.5 -48.5 -3.2 2.6 -15.0 44 235 A M H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.879 109.2 44.6 -49.8 -54.9 -6.3 2.0 -17.0 45 236 A I H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.920 111.4 55.0 -62.2 -41.6 -8.7 1.5 -14.1 46 237 A N H X S+ 0 0 52 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.967 106.6 51.1 -54.5 -42.3 -7.2 4.5 -12.5 47 238 A T H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.915 109.0 52.1 -60.2 -41.0 -8.0 6.5 -15.6 48 239 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.948 107.4 50.2 -59.9 -46.7 -11.6 5.3 -15.5 49 240 A N H X S+ 0 0 11 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.860 108.4 53.9 -67.0 -33.6 -12.1 6.3 -11.9 50 241 A M H < S+ 0 0 86 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.859 113.7 42.3 -66.3 -40.1 -10.7 9.8 -12.7 51 242 A I H < S+ 0 0 6 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.850 114.6 50.2 -69.7 -36.2 -13.2 10.1 -15.5 52 243 A Y H ><>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 3,-0.7 0.486 85.2 91.1 -87.5 2.6 -16.1 8.6 -13.4 53 244 A R G ><5S+ 0 0 133 -4,-0.7 3,-2.1 -3,-0.3 -1,-0.2 0.940 83.5 51.2 -61.1 -52.5 -15.7 10.9 -10.4 54 245 A R G 3 5S+ 0 0 193 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.655 109.4 54.4 -63.9 -12.4 -18.1 13.6 -11.6 55 246 A L G < 5S- 0 0 20 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.510 111.9-119.6 -94.7 -7.2 -20.6 10.8 -12.1 56 247 A N T < 5S+ 0 0 56 -3,-2.1 -42,-3.2 -4,-0.5 2,-0.4 0.587 71.2 125.9 78.1 17.0 -20.3 9.4 -8.5 57 248 A F E < -a 14 0A 6 -5,-1.8 2,-0.4 -44,-0.2 -1,-0.3 -0.870 41.8-163.3-108.9 141.2 -19.1 5.9 -9.6 58 249 A H E -a 15 0A 22 -44,-2.2 -42,-2.6 -2,-0.4 2,-0.5 -0.983 10.6-146.7-123.2 133.9 -16.1 4.2 -8.4 59 250 A I E -a 16 0A 1 -2,-0.4 2,-0.5 -44,-0.2 -42,-0.2 -0.863 12.3-167.4-101.6 124.5 -14.7 1.3 -10.2 60 251 A A E -a 17 0A 2 -44,-3.1 -42,-2.6 -2,-0.5 2,-1.0 -0.961 17.8-138.8-119.5 117.5 -13.0 -1.3 -8.1 61 252 A L E +a 18 0A 0 -2,-0.5 142,-2.8 1,-0.2 143,-0.6 -0.585 29.6 169.0 -78.7 111.8 -11.0 -3.9 -9.9 62 253 A I E + 0 0 1 -44,-3.0 2,-0.3 -2,-1.0 -1,-0.2 0.437 62.8 16.2-105.5 3.2 -11.9 -7.1 -8.1 63 254 A G E -a 19 0A 3 -45,-0.9 -43,-2.3 -3,-0.1 2,-0.4 -0.893 51.5-172.2-170.2 147.0 -10.2 -9.5 -10.6 64 255 A L E -a 20 0A 23 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.905 12.1-178.4-142.5 117.0 -7.8 -9.6 -13.4 65 256 A E E -a 21 0A 31 -45,-2.2 -43,-2.6 -2,-0.4 2,-0.4 -0.952 11.8-157.9-126.6 131.5 -7.2 -12.7 -15.5 66 257 A I E -a 22 0A 22 -2,-0.5 2,-1.6 -45,-0.2 -43,-0.2 -0.811 16.2-142.8 -98.0 129.5 -4.8 -13.1 -18.4 67 258 A W + 0 0 6 -45,-3.0 -40,-0.1 -2,-0.4 -2,-0.0 -0.575 39.3 158.9 -87.6 66.4 -5.5 -15.9 -20.9 68 259 A S + 0 0 41 -2,-1.6 -1,-0.2 1,-0.1 3,-0.1 0.472 69.8 40.6 -68.7 -3.0 -1.8 -16.6 -21.1 69 260 A N S S- 0 0 128 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.779 125.9 -30.3-108.0 -71.5 -2.5 -20.0 -22.5 70 261 A I - 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