==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-99 1D8H . COMPND 2 MOLECULE: MRNA TRIPHOSPHATASE CET1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.D.LIMA,L.K.WANG,S.SHUMAN . 864 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 253 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 120 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0 3 0 0 0 2 1 0 0 0 0 4 2 0 0 0 0 0 0 2 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 4 8 2 0 0 3 3 1 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 0 0 0 0 0 1 1 1 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 1 239 A H 0 0 37 0, 0.0 257,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -22.7 29.7 69.0 62.6 2 240 A M + 0 0 71 256,-0.2 256,-0.1 1,-0.1 257,-0.0 0.801 360.0 30.2 -86.4 -30.8 31.0 65.4 63.0 3 241 A Y S S+ 0 0 199 1,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.744 118.0 49.9-103.9 -18.3 33.0 65.9 66.2 4 242 A R - 0 0 167 55,-0.1 2,-0.4 56,-0.1 54,-0.1 -0.832 60.6-146.1-112.3 164.1 31.0 68.6 68.0 5 243 A N - 0 0 74 -2,-0.3 52,-0.2 52,-0.1 54,-0.1 -1.000 16.0-176.3-127.6 134.4 27.4 69.4 69.0 6 244 A V - 0 0 23 50,-1.3 5,-0.1 -2,-0.4 52,-0.0 -0.928 32.2-109.4-134.3 123.8 26.0 73.0 69.2 7 245 A P >> - 0 0 59 0, 0.0 3,-1.2 0, 0.0 4,-0.7 -0.340 34.2-112.5 -56.7 145.1 22.5 74.0 70.3 8 246 A I G >4 S+ 0 0 87 1,-0.2 3,-1.2 2,-0.2 46,-0.0 0.896 114.6 54.6 -49.5 -47.6 20.2 75.2 67.5 9 247 A W G 34 S+ 0 0 226 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.696 113.2 44.3 -64.1 -8.3 20.0 78.8 68.6 10 248 A A G <4 S+ 0 0 38 -3,-1.2 -1,-0.2 2,-0.0 -2,-0.2 0.421 83.8 118.0-113.8 -2.3 23.8 79.1 68.6 11 249 A Q << + 0 0 40 -3,-1.2 3,-0.1 -4,-0.7 42,-0.0 -0.399 28.1 166.9 -75.3 144.7 24.6 77.3 65.3 12 250 A K + 0 0 194 1,-0.2 2,-0.7 -2,-0.0 -1,-0.1 0.569 51.4 74.7-132.3 -38.9 26.4 79.4 62.7 13 251 A W + 0 0 173 2,-0.0 -1,-0.2 3,-0.0 0, 0.0 -0.830 44.6 172.6 -85.9 136.3 27.7 77.2 59.9 14 252 A K - 0 0 106 -2,-0.7 2,-0.1 -3,-0.1 3,-0.1 -0.991 27.9-147.8-122.5 90.3 25.0 76.0 57.6 15 253 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 246,-0.1 -0.527 33.7 -92.9 -60.4 148.2 27.2 74.4 55.1 16 254 A T - 0 0 97 -2,-0.1 2,-0.7 245,-0.1 248,-0.2 -0.457 28.5-146.3 -73.4 129.3 25.4 74.7 51.7 17 255 A I - 0 0 13 -2,-0.2 2,-0.2 -3,-0.1 248,-0.1 -0.939 29.4-129.5-100.9 105.5 23.1 72.0 50.6 18 256 A K - 0 0 100 -2,-0.7 3,-0.1 1,-0.1 250,-0.0 -0.482 8.6-124.8 -59.1 143.3 23.5 71.9 46.8 19 257 A A - 0 0 17 -2,-0.2 -1,-0.1 1,-0.1 246,-0.1 -0.372 42.4 -88.9 -79.4 151.2 20.6 72.0 44.3 20 258 A L E -A 38 0A 60 18,-0.7 18,-3.2 17,-0.1 2,-0.2 -0.313 43.1-135.5 -61.4 142.4 20.5 69.2 41.7 21 259 A Q E -A 37 0A 112 16,-0.3 2,-1.6 -3,-0.1 16,-0.2 -0.570 35.7 -87.8 -90.1 151.7 22.4 70.2 38.6 22 260 A S - 0 0 21 14,-1.3 -1,-0.1 -2,-0.2 15,-0.0 -0.625 65.6-168.2 -69.0 93.2 20.9 69.5 35.1 23 261 A I - 0 0 75 -2,-1.6 2,-0.8 1,-0.1 293,-0.1 0.020 38.2 -67.8 -69.7-171.5 22.4 66.0 35.0 24 262 A N S S+ 0 0 70 291,-0.1 2,-0.8 3,-0.1 3,-0.2 0.036 82.2 134.2 -68.1 23.0 22.6 63.5 32.0 25 263 A V S S- 0 0 7 -2,-0.8 3,-0.3 1,-0.2 289,-0.0 -0.755 83.1 -53.1 -92.8 109.5 18.8 63.0 31.8 26 264 A K S S- 0 0 114 -2,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.766 78.1 -88.3 23.2 99.7 17.7 63.1 28.1 27 265 A D - 0 0 160 -3,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.101 66.1-116.0 -30.0 101.7 19.1 66.5 26.9 28 266 A L - 0 0 63 -3,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.240 8.4-132.9 -54.5 148.6 15.9 68.2 28.1 29 267 A K S S+ 0 0 192 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 0.716 98.4 28.9 -72.0 -23.5 13.5 69.8 25.7 30 268 A I S S- 0 0 22 485,-0.1 485,-0.2 486,-0.0 -1,-0.1 -0.991 89.1-114.2-139.7 140.2 13.6 72.8 28.1 31 269 A D - 0 0 21 483,-2.3 5,-0.0 -2,-0.4 3,-0.0 -0.685 23.7-133.3 -62.2 143.0 16.2 74.0 30.5 32 270 A P S S- 0 0 15 0, 0.0 2,-0.3 0, 0.0 536,-0.3 0.735 79.8 -15.4 -71.3 -23.1 15.1 73.6 34.0 33 271 A S S > S- 0 0 0 534,-0.2 3,-0.8 5,-0.1 532,-0.1 -0.944 70.7 -97.7-165.0 171.0 16.2 77.2 34.9 34 272 A F T 3 S+ 0 0 3 -2,-0.3 480,-0.0 1,-0.2 386,-0.0 0.552 128.2 47.3 -79.2 -7.5 18.3 80.0 33.6 35 273 A L T 3 S- 0 0 57 2,-0.3 -1,-0.2 -4,-0.0 3,-0.1 0.239 111.4-125.4 -98.9 -5.5 21.1 78.8 35.9 36 274 A N S < S+ 0 0 42 -3,-0.8 -14,-1.3 1,-0.2 2,-0.3 0.949 74.6 112.4 46.8 54.1 20.6 75.2 34.7 37 275 A I E -A 21 0A 46 -16,-0.2 -16,-0.3 -15,-0.0 -2,-0.3 -0.973 69.1-126.6-132.6 161.1 20.1 74.0 38.3 38 276 A I E -A 20 0A 55 -18,-3.2 -18,-0.7 -2,-0.3 -5,-0.1 -0.894 28.3-138.2-106.7 119.7 16.9 72.6 39.8 39 277 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.116 21.2-112.8 -66.6 140.5 16.3 74.6 43.0 40 278 A D - 0 0 9 1,-0.1 2,-0.1 2,-0.1 -21,-0.1 -0.642 37.7-111.3 -62.8 145.5 15.0 72.5 46.0 41 279 A D > - 0 0 42 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.310 31.7-104.8 -74.9 172.1 11.4 73.5 46.8 42 280 A D H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.712 117.5 53.0 -62.7 -52.1 11.0 75.3 50.1 43 281 A L H > S+ 0 0 14 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.900 110.1 48.8 -57.1 -38.6 9.5 72.6 52.1 44 282 A T H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.986 112.8 47.0 -68.2 -44.9 12.4 70.2 51.1 45 283 A K H X S+ 0 0 50 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.849 110.1 56.0 -61.3 -36.9 15.1 72.9 52.1 46 284 A S H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.928 112.1 41.1 -62.1 -46.6 13.1 73.4 55.3 47 285 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.853 112.3 54.2 -66.6 -43.7 13.4 69.6 56.1 48 286 A Q H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.883 114.7 42.4 -60.1 -29.9 17.1 69.6 54.9 49 287 A D H X S+ 0 0 27 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.775 114.0 49.3 -95.9 -35.7 17.8 72.5 57.5 50 288 A W H X S+ 0 0 44 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.864 112.1 46.9 -73.6 -39.8 15.8 71.2 60.4 51 289 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.958 115.5 46.6 -71.4 -53.4 17.3 67.7 60.3 52 290 A Y H X S+ 0 0 6 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.922 113.7 47.9 -53.0 -42.8 20.8 69.1 60.0 53 291 A A H X S+ 0 0 15 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.801 115.6 45.4 -68.0 -52.6 20.2 71.6 62.8 54 292 A T H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.893 112.8 46.6 -68.6 -37.4 18.7 68.9 65.1 55 293 A I H >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.898 112.4 53.1 -70.8 -50.2 21.4 66.1 64.5 56 294 A Y H 3< S+ 0 0 30 -4,-2.0 -50,-1.3 1,-0.3 -1,-0.2 0.723 104.2 58.3 -50.8 -34.0 24.1 68.8 65.0 57 295 A S T 3< S+ 0 0 30 -4,-0.8 2,-0.4 -52,-0.2 -1,-0.3 0.519 93.5 80.4 -65.9 -37.2 22.4 69.7 68.3 58 296 A I S < S- 0 0 10 -3,-2.5 5,-0.1 -4,-0.1 -52,-0.1 -0.820 95.0-100.3 -89.5 151.9 22.8 66.1 69.6 59 297 A A >> - 0 0 16 -2,-0.4 3,-3.6 1,-0.2 4,-0.9 -0.255 31.3-123.1 -61.3 139.5 26.1 64.9 71.1 60 298 A P T 34 S+ 0 0 44 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.761 112.2 59.8 -47.9 -33.1 28.1 62.8 68.5 61 299 A E T 34 S+ 0 0 140 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.651 107.8 46.1 -82.4 -12.4 28.1 59.9 70.9 62 300 A L T X4 S+ 0 0 57 -3,-3.6 3,-2.6 1,-0.1 -1,-0.2 0.562 85.4 89.9-100.4 -12.3 24.3 59.9 70.9 63 301 A R G >< S+ 0 0 9 -4,-0.9 3,-1.6 1,-0.3 -2,-0.1 0.754 75.8 66.4 -68.0 -16.5 23.7 60.2 67.1 64 302 A S G 3 S+ 0 0 84 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.581 96.1 58.5 -79.3 -14.8 23.6 56.3 66.5 65 303 A F G < S+ 0 0 60 -3,-2.6 126,-4.1 185,-0.1 2,-0.4 -0.070 81.3 126.0 -84.7 11.2 20.5 56.1 68.5 66 304 A I E < -B 190 0B 3 -3,-1.6 2,-0.4 124,-0.2 124,-0.2 -0.658 39.8-170.1 -74.8 143.8 18.6 58.5 66.3 67 305 A E E -B 189 0B 9 122,-1.9 122,-1.7 -2,-0.4 2,-0.6 -0.998 1.6-168.9-120.6 100.6 15.3 57.5 64.7 68 306 A L E +B 188 0B 0 -2,-0.4 180,-2.8 180,-0.4 2,-0.3 -0.980 23.5 164.4 -92.4 115.7 14.0 60.0 61.9 69 307 A E E -BC 187 247B 6 118,-1.7 118,-2.8 -2,-0.6 2,-0.4 -0.889 32.6-146.1-132.0 145.6 10.4 59.0 61.2 70 308 A M E -BC 186 246B 5 176,-3.4 176,-2.4 -2,-0.3 2,-0.4 -0.970 23.1-173.4-110.3 121.9 7.3 60.5 59.4 71 309 A K E -BC 185 245B 14 114,-2.5 114,-3.0 -2,-0.4 2,-0.4 -0.967 15.7-127.6-122.9 142.1 3.9 59.7 60.8 72 310 A F E +B 184 0B 1 172,-1.7 32,-1.9 -2,-0.4 2,-0.3 -0.668 47.7 101.4 -94.8 139.8 0.3 60.4 59.5 73 311 A G E -BD 183 103B 0 110,-2.0 110,-2.9 -2,-0.4 2,-0.5 -0.988 66.6 -67.0-170.4-152.7 -2.6 62.0 61.3 74 312 A V E - 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0 0 13 0, 0.0 2,-2.6 0, 0.0 -2,-0.0 -0.451 52.7 -94.0 -55.0 168.2 -5.0 78.2 58.4 87 325 A P S S+ 0 0 32 0, 0.0 299,-2.0 0, 0.0 2,-0.3 -0.113 90.8 105.4 -86.7 48.1 -5.6 80.1 55.1 88 326 A V B -N 385 0C 4 -2,-2.6 297,-0.2 297,-0.2 4,-0.1 -0.974 48.9-166.2-126.5 157.9 -3.2 78.1 53.0 89 327 A S + 0 0 46 295,-1.8 2,-0.3 -2,-0.3 296,-0.1 0.110 67.4 59.6-138.1 20.7 -3.9 75.5 50.3 90 328 A S S S- 0 0 0 294,-0.4 86,-0.1 88,-0.1 244,-0.0 -0.925 97.1 -80.6-144.6 150.7 -0.6 73.6 49.6 91 329 A Q + 0 0 19 -2,-0.3 2,-0.3 86,-0.2 86,-0.2 -0.323 59.6 158.7 -57.8 139.7 1.6 71.6 52.2 92 330 A C E -F 176 0B 0 84,-2.3 84,-1.7 291,-0.1 2,-0.3 -0.992 50.2 -82.6-149.6 173.4 3.8 73.7 54.4 93 331 A V E -F 175 0B 7 -2,-0.3 287,-2.0 82,-0.2 288,-0.5 -0.564 48.2-146.1 -80.4 141.8 5.7 73.5 57.8 94 332 A F E +FG 174 379B 7 80,-2.7 80,-0.6 -2,-0.3 2,-0.3 -0.829 21.3 177.5-112.3 126.1 3.0 74.4 60.4 95 333 A T + 0 0 70 283,-3.0 2,-0.5 -2,-0.4 284,-0.1 -0.735 21.7 137.2-134.9 66.1 4.2 76.4 63.5 96 334 A E > - 0 0 71 -2,-0.3 3,-1.7 3,-0.1 2,-0.2 -0.998 61.4-103.3-117.8 136.6 1.5 77.3 65.9 97 335 A L T 3 S+ 0 0 141 -2,-0.5 -19,-0.4 1,-0.3 3,-0.1 -0.363 103.2 9.5 -46.1 138.3 2.2 76.9 69.5 98 336 A D T 3 S+ 0 0 113 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.659 84.4 145.3 57.9 15.2 0.5 73.8 71.0 99 337 A A < - 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