==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 23-AUG-10 3OJU . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 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 . 25 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 2 1 1 3 2 4 0 0 1 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 294 A L 0 0 186 0, 0.0 2,-0.5 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 -33.4 47.6 -58.5 -16.5 2 295 A E E -a 38 0A 132 35,-2.4 37,-1.6 1,-0.1 2,-0.1 -0.744 360.0-119.8 -93.0 120.9 50.0 -59.4 -19.3 3 296 A E E +a 39 0A 122 -2,-0.5 37,-0.2 35,-0.2 -1,-0.1 -0.348 37.5 179.0 -55.7 123.8 52.7 -56.8 -20.3 4 297 A A E -a 40 0A 16 35,-2.0 37,-0.5 -2,-0.1 2,-0.0 -0.972 32.8 -99.0-128.9 147.1 52.3 -55.9 -23.9 5 298 A P E -a 41 0A 115 0, 0.0 37,-0.1 0, 0.0 35,-0.1 -0.343 57.1 -75.9 -65.2 139.8 54.4 -53.4 -25.9 6 299 A W S S+ 0 0 39 35,-0.5 35,-0.1 33,-0.0 36,-0.0 -0.479 99.6 63.9 -61.1 142.3 53.1 -49.9 -26.4 7 300 A P S S- 0 0 76 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.517 72.9-144.3 -96.3 164.6 50.9 -49.0 -28.3 8 301 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.303 26.9 -93.3 -82.1 165.1 47.6 -50.6 -27.3 9 302 A P > - 0 0 49 0, 0.0 3,-1.3 0, 0.0 25,-0.0 -0.369 56.4 -79.3 -70.5 159.3 44.8 -51.7 -29.7 10 303 A E T 3 S+ 0 0 154 1,-0.2 42,-0.0 -2,-0.1 0, 0.0 -0.238 117.6 35.1 -49.1 143.7 42.0 -49.4 -30.5 11 304 A G T 3 S+ 0 0 21 1,-0.2 -1,-0.2 -3,-0.1 23,-0.0 0.478 81.7 144.4 87.9 2.7 39.4 -49.3 -27.7 12 305 A A < - 0 0 11 -3,-1.3 2,-0.4 23,-0.1 -1,-0.2 -0.254 49.2-121.2 -65.9 159.9 41.8 -49.6 -24.8 13 306 A F E -B 34 0A 4 21,-2.6 21,-2.7 42,-0.1 2,-0.3 -0.847 28.0-133.5-101.2 145.1 41.1 -47.8 -21.6 14 307 A V E -B 33 0A 1 42,-3.2 2,-0.3 -2,-0.4 44,-0.3 -0.750 18.4-171.8-104.0 144.3 43.8 -45.4 -20.3 15 308 A G E +B 32 0A 2 17,-1.9 17,-2.7 -2,-0.3 2,-0.3 -0.952 16.0 173.8-121.7 150.5 45.4 -44.9 -17.0 16 309 A F E -B 31 0A 9 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.991 24.2-141.9-157.4 148.6 47.7 -41.9 -16.3 17 310 A V E -B 30 0A 14 13,-1.8 12,-1.9 -2,-0.3 13,-1.3 -0.971 17.1-162.8-119.2 125.6 49.5 -40.3 -13.4 18 311 A L E -B 28 0A 25 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.788 26.0-131.6-106.6 151.1 49.8 -36.5 -13.2 19 312 A S S S+ 0 0 67 8,-1.9 2,-0.3 -2,-0.3 9,-0.1 0.717 97.2 12.3 -73.7 -20.4 52.3 -34.6 -11.0 20 313 A R S S- 0 0 111 7,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.970 80.8-112.5-149.6 164.2 49.3 -32.6 -9.8 21 314 A K S S+ 0 0 120 -2,-0.3 5,-0.1 -3,-0.1 3,-0.1 0.779 93.8 83.7 -71.8 -28.7 45.5 -32.8 -10.1 22 315 A E >> - 0 0 27 1,-0.2 3,-1.5 2,-0.1 4,-1.0 -0.671 67.0-157.4 -79.9 111.2 45.0 -29.8 -12.3 23 316 A P T 34 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.803 89.6 59.4 -63.2 -30.8 45.6 -31.0 -15.9 24 317 A M T 34 S+ 0 0 6 1,-0.2 -2,-0.1 244,-0.1 -3,-0.0 0.723 117.8 32.9 -66.0 -20.4 46.5 -27.5 -17.3 25 318 A W T <4 S+ 0 0 73 -3,-1.5 -1,-0.2 -5,-0.1 2,-0.2 0.472 100.3 104.7-112.5 -4.7 49.3 -27.4 -14.8 26 319 A A < - 0 0 2 -4,-1.0 2,-0.5 -3,-0.3 -5,-0.0 -0.466 62.2-133.5 -92.1 150.2 50.4 -31.0 -14.5 27 320 A D - 0 0 74 -2,-0.2 -8,-1.9 1,-0.0 2,-1.2 -0.858 29.7-124.4 -89.1 127.9 53.4 -33.0 -15.9 28 321 A L E +B 18 0A 3 -2,-0.5 18,-0.3 -10,-0.2 -10,-0.2 -0.646 34.0 179.1 -75.0 98.7 52.2 -36.3 -17.4 29 322 A L E - 0 0 90 -12,-1.9 2,-0.3 -2,-1.2 -1,-0.2 0.919 59.5 -2.6 -72.5 -46.5 54.3 -38.7 -15.4 30 323 A A E -B 17 0A 34 -13,-1.3 -13,-1.8 14,-0.1 2,-0.3 -0.980 55.1-164.7-147.1 160.5 53.1 -42.0 -16.8 31 324 A L E +B 16 0A 2 11,-0.4 11,-2.8 -2,-0.3 2,-0.3 -0.982 14.8 163.6-148.5 128.8 50.6 -43.4 -19.3 32 325 A A E -BC 15 41A 0 -17,-2.7 -17,-1.9 -2,-0.3 2,-0.3 -0.871 17.8-150.8-136.8 172.5 49.3 -46.9 -19.8 33 326 A A E -BC 14 40A 0 7,-1.8 7,-3.4 -2,-0.3 2,-0.4 -0.995 5.3-157.0-149.1 146.1 46.4 -48.6 -21.6 34 327 A A E +BC 13 39A 2 -21,-2.7 -21,-2.6 -2,-0.3 2,-0.3 -0.979 16.1 163.3-131.9 134.1 44.4 -51.8 -21.0 35 328 A R E > - C 0 38A 103 3,-1.9 3,-2.2 -2,-0.4 -23,-0.1 -0.976 67.9 -28.4-150.3 137.5 42.3 -54.0 -23.3 36 329 A G T 3 S- 0 0 49 -2,-0.3 81,-0.0 1,-0.2 0, 0.0 -0.405 127.3 -30.4 49.9-127.3 41.2 -57.5 -22.7 37 330 A G T 3 S+ 0 0 48 -3,-0.1 -35,-2.4 -36,-0.1 2,-0.4 -0.056 116.5 95.6-111.3 32.1 43.9 -58.9 -20.4 38 331 A R E < -aC 2 35A 107 -3,-2.2 -3,-1.9 -37,-0.2 2,-0.4 -0.938 52.4-158.7-118.9 145.1 46.9 -56.8 -21.6 39 332 A V E -aC 3 34A 8 -37,-1.6 -35,-2.0 -2,-0.4 2,-0.6 -0.991 6.6-159.3-120.3 129.7 48.3 -53.6 -20.1 40 333 A H E -aC 4 33A 8 -7,-3.4 -7,-1.8 -2,-0.4 2,-0.5 -0.934 2.9-163.1-110.7 115.5 50.5 -51.4 -22.3 41 334 A R E -aC 5 32A 90 -2,-0.6 -35,-0.5 -37,-0.5 -9,-0.2 -0.859 18.2-133.3 -98.1 128.5 52.8 -49.0 -20.5 42 335 A A - 0 0 12 -11,-2.8 -11,-0.4 -2,-0.5 4,-0.1 -0.689 2.9-148.0 -84.5 129.7 54.1 -46.2 -22.7 43 336 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.852 94.9 28.2 -64.9 -36.1 57.9 -45.6 -22.4 44 337 A E S > S- 0 0 98 1,-0.2 4,-2.7 -3,-0.0 3,-0.3 -0.856 75.8-160.6-129.6 96.0 57.5 -41.9 -23.1 45 338 A P H > S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.837 88.4 48.6 -44.2 -54.7 54.0 -40.6 -22.0 46 339 A Y H > S+ 0 0 63 -18,-0.3 4,-0.6 1,-0.2 3,-0.5 0.916 114.5 45.6 -57.1 -48.8 53.9 -37.4 -24.1 47 340 A K H >4 S+ 0 0 131 -3,-0.3 3,-1.6 1,-0.2 4,-0.4 0.942 109.7 57.1 -54.2 -48.0 55.0 -39.3 -27.3 48 341 A A H >< S+ 0 0 3 -4,-2.7 3,-1.2 1,-0.3 4,-0.2 0.759 92.4 68.6 -59.9 -28.6 52.5 -42.0 -26.4 49 342 A L H >< S+ 0 0 2 -4,-1.6 3,-1.6 -3,-0.5 -1,-0.3 0.838 89.2 66.2 -57.6 -33.1 49.6 -39.5 -26.4 50 343 A R T << S+ 0 0 127 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.759 93.8 57.8 -64.0 -26.5 50.0 -39.0 -30.1 51 344 A D T < S+ 0 0 97 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 0.448 86.6 98.4 -87.5 -1.1 48.9 -42.6 -30.9 52 345 A L < - 0 0 32 -3,-1.6 3,-0.1 -4,-0.2 -42,-0.0 -0.689 53.0-164.4 -92.5 141.3 45.5 -42.3 -29.2 53 346 A K S S- 0 0 121 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.748 79.5 -7.0 -88.3 -29.9 42.2 -41.6 -31.0 54 347 A E S S- 0 0 52 20,-0.2 2,-0.8 2,-0.1 -1,-0.3 -0.982 71.1-106.2-159.3 160.2 40.4 -40.7 -27.8 55 348 A A B +d 76 0B 0 20,-2.6 22,-2.9 -2,-0.3 2,-0.5 -0.841 43.4 177.0 -96.1 110.4 40.9 -40.6 -24.0 56 349 A R + 0 0 35 -2,-0.8 -42,-3.2 -44,-0.2 2,-0.3 -0.952 35.1 42.7-124.3 116.1 38.8 -43.4 -22.6 57 350 A G S > S- 0 0 0 21,-2.5 3,-1.6 -2,-0.5 24,-0.1 -0.898 92.8 -6.9 144.7-176.9 38.7 -44.3 -18.9 58 351 A L T 3 S- 0 0 3 54,-0.3 58,-0.1 -44,-0.3 21,-0.1 -0.254 130.1 -0.4 -49.3 127.7 38.6 -42.8 -15.4 59 352 A L T >> S+ 0 0 45 1,-0.1 3,-1.2 3,-0.1 4,-1.0 0.816 79.0 165.7 61.7 33.7 38.9 -39.0 -15.5 60 353 A A H X> + 0 0 1 -3,-1.6 4,-2.2 1,-0.3 3,-0.5 0.853 67.9 62.1 -48.7 -43.3 39.2 -38.9 -19.3 61 354 A K H 3> S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.858 97.5 58.8 -56.6 -36.8 38.5 -35.2 -19.4 62 355 A D H <> S+ 0 0 16 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.915 109.9 41.5 -57.9 -45.0 41.7 -34.5 -17.4 63 356 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.5 0.917 108.7 51.1 -64.8 -43.0 46.5 -33.2 -24.6 68 361 A L H ><5S+ 0 0 31 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.856 104.1 58.4 -60.7 -37.2 44.7 -30.0 -25.8 69 362 A R H 3<5S+ 0 0 37 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.7 48.4 -61.1 -32.6 47.3 -28.0 -23.9 70 363 A E T <<5S- 0 0 51 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.292 126.5-101.9 -92.8 8.5 50.0 -29.7 -25.9 71 364 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.5 1,-0.3 -3,-0.2 0.740 78.6 132.9 80.3 24.8 48.1 -29.0 -29.2 72 365 A L < - 0 0 32 -5,-2.5 2,-1.9 -8,-0.1 -1,-0.3 -0.929 55.8-138.0-107.4 131.6 46.6 -32.5 -29.7 73 366 A G + 0 0 74 -2,-0.5 -5,-0.1 -3,-0.1 -9,-0.1 -0.488 45.9 152.9 -85.2 68.2 43.0 -32.8 -30.6 74 367 A L - 0 0 7 -2,-1.9 -6,-0.2 -10,-0.3 -7,-0.2 -0.877 27.2-160.0-104.0 107.0 42.4 -35.7 -28.3 75 368 A P - 0 0 49 0, 0.0 -20,-2.6 0, 0.0 2,-0.2 -0.532 18.8-113.2 -85.2 150.6 38.7 -35.8 -27.1 76 369 A P B +d 55 0B 10 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.535 36.9 174.9 -79.1 151.8 37.5 -37.7 -24.0 77 370 A G + 0 0 4 -22,-2.9 -20,-0.1 1,-0.4 -16,-0.1 -0.147 49.5 5.4-124.5-138.4 35.2 -40.7 -24.5 78 371 A D - 0 0 17 -2,-0.1 -21,-2.5 -22,-0.1 -1,-0.4 -0.181 60.4-176.5 -51.2 136.4 33.7 -43.3 -22.1 79 372 A D >> - 0 0 14 -23,-0.2 3,-1.2 -3,-0.1 4,-1.2 -0.951 24.6-149.1-139.3 117.1 34.5 -42.5 -18.4 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.794 97.1 65.8 -56.9 -28.3 33.3 -44.9 -15.6 81 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.884 99.7 50.7 -58.7 -40.6 33.0 -41.9 -13.3 82 375 A L H <> S+ 0 0 2 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.877 110.4 49.0 -67.5 -37.9 30.1 -40.5 -15.4 83 376 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 3,-0.3 0.958 113.1 46.9 -62.8 -50.5 28.3 -43.9 -15.3 84 377 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 7,-0.3 0.875 110.6 52.8 -59.1 -38.8 28.7 -44.1 -11.6 85 378 A Y H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 108.1 49.7 -72.6 -31.5 27.5 -40.6 -11.1 86 379 A L H < S+ 0 0 0 -4,-1.6 348,-0.5 -3,-0.3 -1,-0.2 0.894 110.2 51.2 -71.7 -40.5 24.4 -41.1 -13.1 87 380 A L H < S- 0 0 22 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.888 138.6 -7.7 -58.7 -39.6 23.6 -44.3 -11.1 88 381 A D >< - 0 0 21 -4,-1.9 3,-2.5 -5,-0.2 -1,-0.3 -0.792 60.9-146.2-165.8 110.9 24.0 -42.3 -7.8 89 382 A P T 3 S+ 0 0 8 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.488 94.3 76.6 -69.2 -1.7 25.3 -38.7 -7.6 90 383 A S T 3 S+ 0 0 80 -6,-0.1 2,-1.3 1,-0.1 3,-0.2 0.568 72.0 94.6 -77.7 -10.4 27.1 -39.5 -4.3 91 384 A N < + 0 0 7 -3,-2.5 -3,-0.1 -7,-0.3 -1,-0.1 -0.687 46.9 138.6 -78.7 92.3 29.6 -41.3 -6.5 92 385 A T + 0 0 61 -2,-1.3 -1,-0.2 1,-0.1 182,-0.2 0.655 49.2 49.9-116.8 -21.3 32.0 -38.3 -6.8 93 386 A T S > S- 0 0 56 -3,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.882 70.6-128.1-121.3 153.1 35.6 -39.6 -6.5 94 387 A P H > S+ 0 0 17 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.835 112.6 58.3 -64.2 -31.2 37.6 -42.4 -8.3 95 388 A E H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 10,-0.2 0.934 111.3 39.8 -58.9 -48.9 38.5 -43.6 -4.8 96 389 A G H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 116.1 49.6 -69.7 -42.7 34.9 -44.1 -3.8 97 390 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.878 111.5 49.4 -66.6 -38.1 33.7 -45.5 -7.1 98 391 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-1.6 0.925 110.4 49.5 -66.9 -44.6 36.5 -48.0 -7.2 99 392 A R H <5S+ 0 0 220 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.873 117.8 42.1 -61.1 -35.4 35.8 -49.2 -3.6 100 393 A R H <5S+ 0 0 130 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 122.2 34.1 -82.5 -35.6 32.2 -49.6 -4.5 101 394 A Y H <5S- 0 0 17 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.300 126.1 -66.1-117.4 8.4 32.3 -51.1 -8.0 102 395 A G T <5S+ 0 0 47 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.830 92.1 41.1 123.1 46.1 35.4 -53.4 -7.9 103 396 A G < - 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