==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-11 3U69 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.C.FIGUEIREDO,C.C.CLEMENT,M.PHILIPP,P.J.BARBOSA PEREIRA . 281 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0.4 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 1 1 0 0 1 1 0 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 . 5 4 1 3 3 1 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 . 1 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 1 291 L A 0 0 134 0, 0.0 149,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.4 20.6 8.8 -5.5 2 292 L D > + 0 0 76 147,-0.0 3,-1.2 2,-0.0 148,-0.1 0.213 360.0 142.5-104.8 11.2 16.8 8.6 -6.1 3 293 L a T 3 + 0 0 33 1,-0.2 146,-0.2 146,-0.1 147,-0.1 -0.102 60.4 16.2 -58.3 148.8 16.8 5.0 -7.1 4 294 L G T 3 S+ 0 0 0 144,-2.8 239,-1.8 238,-0.2 2,-0.6 0.550 89.9 112.6 72.6 10.2 14.0 2.6 -6.0 5 295 L L < - 0 0 30 -3,-1.2 -1,-0.2 143,-0.3 237,-0.1 -0.960 62.5-139.3-114.7 114.0 11.4 5.3 -5.1 6 296 L R > > - 0 0 0 -2,-0.6 5,-2.3 1,-0.1 3,-1.3 -0.554 5.4-140.4 -83.5 130.4 8.5 5.2 -7.6 7 297 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.839 103.4 41.9 -53.0 -37.3 7.0 8.4 -8.8 8 298 L L T 3 5S+ 0 0 28 136,-0.5 34,-0.1 33,-0.4 136,-0.0 0.488 129.5 21.3 -94.3 -1.1 3.5 7.0 -8.7 9 299 L F T X >S+ 0 0 13 -3,-1.3 5,-2.3 32,-0.1 3,-1.7 0.478 127.6 24.6-126.9 -89.1 3.8 5.2 -5.4 10 300 L E G > 5S+ 0 0 33 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.867 122.4 54.3 -51.4 -42.0 6.4 6.1 -2.8 11 301 L K G 3 > S+ 0 0 22 2,-0.1 3,-1.4 1,-0.1 4,-0.7 0.421 85.9 101.3-131.6 6.1 0.4 -6.2 -3.0 19 309 L E H >> S+ 0 0 11 -3,-0.3 4,-1.9 1,-0.3 3,-0.7 0.816 77.6 66.9 -64.9 -26.4 3.5 -4.6 -1.5 20 310 L R H 3> S+ 0 0 122 -4,-0.4 4,-3.0 1,-0.3 -1,-0.3 0.824 91.6 62.4 -61.7 -29.4 2.1 -5.2 2.0 21 311 L E H <> S+ 0 0 75 -3,-1.4 4,-1.2 2,-0.2 -1,-0.3 0.867 104.6 47.9 -62.7 -34.8 2.5 -8.9 1.3 22 312 L L H X S+ 0 0 69 -4,-1.9 3,-1.2 1,-0.3 4,-0.5 0.915 110.9 52.6 -61.6 -43.1 6.4 -6.2 4.2 24 314 L E H >X S+ 0 0 99 -4,-3.0 4,-2.6 1,-0.3 3,-1.0 0.794 97.9 65.4 -66.2 -27.4 4.4 -8.8 6.1 25 315 L S H 3X S+ 0 0 8 -4,-1.2 4,-2.0 -3,-0.4 5,-0.3 0.778 94.0 60.8 -66.9 -22.0 6.8 -11.6 5.0 26 316 L Y H << S+ 0 0 37 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.774 112.1 39.1 -72.2 -25.4 9.4 -9.9 7.1 27 317 L I H << S+ 0 0 123 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.1 0.906 133.8 18.7 -83.0 -50.1 7.1 -10.4 10.1 28 318 L D H < S+ 0 0 131 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.548 104.1 78.8-102.5 -14.7 5.8 -13.9 9.4 29 319 L G < 0 0 31 -4,-2.0 -3,-0.1 -5,-0.3 -1,-0.1 0.727 360.0 360.0 -77.5 -22.8 8.2 -15.5 6.9 30 320 L R 0 0 179 -5,-0.3 134,-0.1 -4,-0.1 -1,-0.0 -0.916 360.0 360.0-136.0 360.0 10.8 -16.3 9.5 31 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 32 321 H I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.0 4.5 -14.9 -15.2 33 322 H V B +A 223 0A 4 190,-2.8 190,-1.4 1,-0.2 143,-0.1 -0.802 360.0 0.6 -96.2 132.3 2.4 -17.8 -14.0 34 323 H E S S+ 0 0 118 141,-0.5 -1,-0.2 -2,-0.4 187,-0.1 0.785 102.6 121.2 61.4 33.0 -0.4 -17.2 -11.3 35 324 H G - 0 0 31 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.204 53.1-126.5-100.8-162.9 0.3 -13.4 -11.2 36 325 H S E -B 186 0B 42 150,-2.1 150,-2.3 -2,-0.1 2,-0.1 -0.916 36.3 -71.0-140.7 170.8 -1.9 -10.4 -11.8 37 326 H D E -B 185 0B 89 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.422 51.6-121.8 -63.5 133.1 -1.8 -7.3 -13.9 38 327 H A - 0 0 6 146,-3.1 2,-0.2 -2,-0.1 -1,-0.1 -0.404 25.1-115.8 -64.9 150.9 0.7 -4.7 -12.7 39 328 H E > - 0 0 57 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.542 47.5 -78.7 -78.4 157.7 -0.6 -1.3 -11.8 40 329 H I T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.385 117.2 3.8 -59.0 128.3 0.5 1.6 -13.9 41 330 H G T 3 S+ 0 0 12 -2,-0.1 -33,-0.4 55,-0.1 -1,-0.3 0.624 90.9 128.1 72.5 15.8 4.0 2.7 -12.9 42 331 H M S < S+ 0 0 4 -3,-2.0 -2,-0.1 1,-0.3 -36,-0.1 0.782 83.5 22.9 -73.4 -28.2 4.3 -0.1 -10.4 43 332 H S S > S+ 0 0 12 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.583 70.7 166.4-137.3 67.3 7.6 -1.3 -11.9 44 333 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.580 74.5 62.3 -73.7 -5.0 9.1 1.7 -13.6 45 334 H W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 104,-0.1 0.401 76.8 123.0 -89.7 -3.9 12.5 0.1 -13.9 46 335 H Q E < -J 62 0C 2 -3,-2.3 49,-1.0 16,-0.2 2,-0.4 -0.418 41.9-171.4 -60.6 132.0 11.0 -2.7 -16.1 47 336 H V E -JK 61 94C 0 14,-2.3 14,-1.2 47,-0.2 2,-0.5 -0.969 16.3-144.9-128.9 139.3 12.7 -3.0 -19.5 48 337 H M E -JK 60 93C 1 45,-2.7 45,-2.4 -2,-0.4 2,-0.6 -0.934 10.9-147.8-100.7 124.6 11.7 -5.0 -22.5 49 338 H L E -JK 59 92C 0 10,-2.7 9,-2.9 -2,-0.5 10,-1.4 -0.842 25.4-168.0 -91.2 122.9 14.5 -6.5 -24.6 50 339 H F E -JK 57 91C 19 41,-2.9 41,-2.3 -2,-0.6 2,-0.4 -0.927 22.0-132.5-124.6 132.6 13.3 -6.6 -28.2 51 340 H R E > -JK 56 90C 61 5,-3.1 5,-1.3 -2,-0.4 39,-0.2 -0.687 15.2-151.0 -77.8 133.8 14.6 -8.2 -31.3 52 341 H K E 5S+J 55 0C 66 37,-2.5 3,-0.3 -2,-0.4 -1,-0.1 0.861 75.3 54.0 -72.4 -38.3 14.7 -5.8 -34.2 53 342 H S T 5S+ 0 0 104 1,-0.5 -1,-0.3 36,-0.5 2,-0.1 -0.873 120.8 17.2-156.0 106.4 14.2 -8.3 -37.1 54 343 H P T 5S- 0 0 86 0, 0.0 -1,-0.5 0, 0.0 2,-0.5 0.640 106.3-118.8 -70.3 161.6 11.9 -10.0 -36.9 55 344 H Q E 5 +J 52 0C 129 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.530 56.0 136.5 -72.2 116.1 10.2 -7.9 -34.3 56 345 H E E < -J 51 0C 81 -5,-1.3 -5,-3.1 -2,-0.5 2,-0.4 -0.980 57.5-103.1-162.4 150.7 9.7 -9.9 -31.0 57 346 H L E +J 50 0C 43 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.573 37.4 171.4 -70.3 126.2 10.0 -9.8 -27.3 58 347 H L E - 0 0 25 -9,-2.9 2,-0.3 1,-0.4 169,-0.2 0.790 52.8 -29.6-101.1 -43.7 13.1 -11.6 -26.2 59 348 H b E -J 49 0C 7 -10,-1.4 -10,-2.7 169,-0.1 -1,-0.4 -0.976 56.4 -96.8-164.5 165.3 13.5 -11.0 -22.5 60 349 H G E +J 48 0C 2 169,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.449 38.7 168.3 -86.1 175.1 13.0 -8.8 -19.5 61 350 H A E -J 47 0C 0 -14,-1.2 -14,-2.3 -2,-0.2 2,-0.3 -0.928 22.6-122.9-172.7 177.5 15.7 -6.5 -18.2 62 351 H S E -JL 46 70C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.988 14.3-120.9-145.3 151.7 15.9 -3.6 -15.7 63 352 H L E + L 0 69C 0 -18,-2.0 86,-2.3 -2,-0.3 6,-0.2 -0.820 30.1 168.1 -94.6 118.7 16.9 0.1 -15.6 64 353 H I - 0 0 23 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.519 69.5 -9.1-110.3 -9.2 19.7 0.7 -13.1 65 354 H S S S- 0 0 25 3,-1.1 -1,-0.3 85,-0.1 3,-0.2 -0.928 90.2 -75.3-166.3-176.4 20.7 4.2 -14.2 66 355 H D S S+ 0 0 62 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.679 128.8 19.1 -71.6 -12.3 19.9 6.6 -17.0 67 356 H R S S+ 0 0 56 72,-0.2 69,-2.6 216,-0.2 2,-0.4 0.372 108.5 81.1-137.7 13.8 22.1 4.7 -19.5 68 357 H W E - M 0 135C 0 -3,-0.2 -4,-2.3 67,-0.2 -3,-1.1 -0.967 49.2-171.6-124.2 136.0 22.7 1.2 -18.1 69 358 H V E -LM 63 134C 0 65,-2.5 65,-2.6 -2,-0.4 2,-0.4 -0.970 11.7-147.2-124.5 138.0 20.3 -1.8 -18.3 70 359 H L E +LM 62 133C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.3 -0.839 30.1 145.1-107.1 136.8 20.8 -5.1 -16.5 71 360 H T E - M 0 132C 0 61,-2.5 61,-2.2 -2,-0.4 2,-0.4 -0.850 49.9 -72.7-151.7-173.8 19.7 -8.5 -17.9 72 361 H A > - 0 0 0 -12,-0.4 3,-1.4 59,-0.3 4,-0.4 -0.728 32.2-132.7 -89.7 139.6 20.6 -12.2 -18.1 73 362 H A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 3,-2.0 0.863 105.3 64.0 -53.2 -37.9 23.6 -13.2 -20.2 74 363 H H G 34 S+ 0 0 29 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.681 91.4 64.9 -70.6 -14.3 21.5 -16.0 -21.7 75 364 H b G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.706 117.7 25.8 -71.9 -21.4 19.2 -13.4 -23.3 76 365 H L T <4 S+ 0 0 2 -3,-2.0 9,-2.2 -4,-0.4 2,-0.4 0.676 129.5 32.1-112.2 -30.4 22.2 -12.3 -25.4 77 366 H L E < +P 84 0D 35 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.953 52.7 139.1-143.7 112.5 24.4 -15.3 -25.6 78 367 H Y E > > -P 83 0D 61 5,-2.4 3,-2.1 -2,-0.4 5,-1.5 -0.583 24.2-170.6-152.8 85.4 23.5 -19.0 -25.7 79 368 H P G > 5S+ 0 0 45 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.701 79.0 70.0 -53.1 -30.5 25.6 -20.8 -28.2 80 369 H P G 3 5S+ 0 0 63 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.821 109.6 37.7 -60.2 -25.3 23.6 -24.1 -28.1 81 370 H W G < 5S- 0 0 174 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 -0.005 118.0-110.7-109.7 25.4 20.8 -22.2 -29.9 82 371 H D T < 5 + 0 0 154 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.841 67.7 151.9 45.0 40.0 23.2 -20.1 -32.1 83 372 H K E < +P 78 0D 43 -5,-1.5 -5,-2.4 2,-0.0 -1,-0.2 -0.898 3.5 137.2-100.5 122.0 22.2 -17.1 -30.1 84 373 H N E -P 77 0D 118 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.433 34.9-161.3-162.8 75.8 24.9 -14.4 -30.0 85 374 H F - 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