==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-OCT-11 3U8T . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.C.FIGUEIREDO,C.C.CLEMENT,M.PHILIPP,P.J.B.PEREIRA . 280 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 61.1 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 . 77 27.5 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 . 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 . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.6 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 2 0 0 1 0 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 2 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 . 1 0 0 0 0 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 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 0 132 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.8 19.5 9.3 -5.9 2 292 L D > + 0 0 71 144,-0.0 3,-1.3 2,-0.0 145,-0.1 0.166 360.0 143.2-102.5 9.0 15.8 8.8 -6.2 3 293 L a T 3 + 0 0 33 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.114 61.8 16.7 -53.7 146.8 16.0 5.2 -7.4 4 294 L G T 3 S+ 0 0 0 141,-3.3 236,-1.9 235,-0.2 2,-0.5 0.528 91.0 110.0 76.0 2.7 13.5 2.6 -6.2 5 295 L L < - 0 0 32 -3,-1.3 -1,-0.1 140,-0.3 234,-0.1 -0.971 64.5-138.1-112.5 116.6 10.8 5.1 -5.0 6 296 L R > > - 0 0 0 -2,-0.5 5,-2.6 1,-0.1 3,-1.3 -0.527 4.8-139.3 -82.4 134.0 7.8 4.9 -7.3 7 297 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.849 104.7 42.1 -55.9 -36.3 6.0 8.1 -8.3 8 298 L L T 3 5S+ 0 0 31 133,-0.4 31,-0.1 30,-0.4 133,-0.0 0.445 130.3 22.2 -94.5 1.1 2.5 6.6 -8.1 9 299 L F T X >S+ 0 0 14 -3,-1.3 5,-2.2 29,-0.1 3,-2.2 0.421 127.1 24.1-128.1 -89.7 3.3 4.6 -4.9 10 300 L E G > 5S+ 0 0 29 1,-0.3 3,-1.6 3,-0.2 -5,-0.1 0.887 122.4 54.6 -53.9 -40.1 6.0 5.5 -2.4 11 301 L K G 3 > S+ 0 0 37 2,-0.1 3,-1.6 1,-0.1 4,-0.8 0.414 85.7 99.5-128.1 6.6 0.6 -7.2 -2.9 19 309 L E H >> S+ 0 0 11 -3,-0.3 4,-2.1 1,-0.3 3,-0.6 0.803 76.3 69.7 -66.5 -23.6 3.7 -5.5 -1.4 20 310 L R H 3> S+ 0 0 165 -4,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.805 91.7 60.8 -57.5 -30.5 2.4 -6.4 2.1 21 311 L E H <> S+ 0 0 52 -3,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.904 105.5 46.8 -69.0 -35.0 3.2 -10.0 1.1 22 312 L L H < S+ 0 0 94 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.916 111.3 48.5 -48.4 -49.1 7.0 -7.1 4.0 24 314 L E H >< S+ 0 0 111 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.777 98.4 68.2 -66.0 -29.2 5.5 -10.0 6.0 25 315 L S H 3< S+ 0 0 20 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.771 89.7 66.5 -64.3 -23.1 7.9 -12.6 4.4 26 316 L Y T << 0 0 28 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.650 360.0 360.0 -68.1 -18.5 10.7 -10.8 6.4 27 317 L I < 0 0 178 -3,-1.6 -3,-0.0 -4,-0.2 0, 0.0 -0.126 360.0 360.0-112.0 360.0 9.2 -11.9 9.7 28 !* 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 29 321 H I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.3 4.5 -15.1 -15.7 30 322 H V B +A 220 0A 8 190,-3.2 190,-1.4 1,-0.2 143,-0.1 -0.833 360.0 1.0 -97.5 134.9 2.6 -18.1 -14.5 31 323 H E S S+ 0 0 129 141,-0.5 -1,-0.2 -2,-0.4 187,-0.1 0.806 101.8 122.9 61.0 34.3 0.0 -17.8 -11.7 32 324 H G - 0 0 26 -3,-0.5 2,-0.3 152,-0.1 152,-0.2 -0.205 52.4-129.6-106.0-158.5 0.5 -14.1 -11.4 33 325 H S E -B 183 0B 50 150,-1.9 150,-2.4 -2,-0.1 2,-0.1 -0.935 37.1 -67.5-147.8 168.3 -2.0 -11.2 -11.8 34 326 H D E -B 182 0B 97 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.377 51.4-123.6 -58.6 133.9 -2.2 -7.9 -13.7 35 327 H A - 0 0 5 146,-2.6 2,-0.2 59,-0.1 -1,-0.1 -0.400 25.2-115.6 -68.6 151.8 0.2 -5.3 -12.5 36 328 H E > - 0 0 57 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.558 46.0 -80.1 -77.2 155.9 -1.2 -1.9 -11.3 37 329 H I T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.319 117.3 5.4 -58.4 132.2 -0.4 1.2 -13.3 38 330 H G T 3 S+ 0 0 12 2,-0.1 -30,-0.4 54,-0.1 -1,-0.3 0.603 90.1 126.5 65.3 17.2 3.1 2.4 -12.4 39 331 H M S < S+ 0 0 4 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.779 85.5 21.6 -74.9 -27.3 3.7 -0.6 -10.1 40 332 H S > + 0 0 13 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.602 69.7 164.8-139.3 69.6 7.0 -1.4 -11.9 41 333 H P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.550 75.3 61.6 -79.4 0.9 8.1 1.8 -13.6 42 334 H W T 3 S+ 0 0 3 101,-0.2 18,-2.5 103,-0.1 104,-0.1 0.420 77.6 120.5 -92.3 -1.7 11.6 0.4 -14.1 43 335 H Q E < -K 59 0C 3 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.383 44.6-170.1 -69.5 135.4 10.2 -2.4 -16.3 44 336 H V E -KL 58 91C 0 14,-2.3 14,-1.2 47,-0.2 2,-0.5 -0.981 16.3-143.6-127.5 144.4 11.6 -2.4 -19.8 45 337 H M E -KL 57 90C 1 45,-2.8 45,-2.5 -2,-0.4 2,-0.5 -0.914 10.8-149.9-104.2 125.8 10.5 -4.3 -22.9 46 338 H L E -KL 56 89C 0 10,-3.0 9,-3.1 -2,-0.5 10,-1.4 -0.850 22.5-169.5 -95.5 125.2 13.3 -5.5 -25.3 47 339 H F E -KL 54 88C 25 41,-2.8 41,-2.1 -2,-0.5 2,-0.4 -0.924 19.4-133.9-124.3 134.6 11.8 -5.7 -28.8 48 340 H R E > -KL 53 87C 76 5,-3.3 5,-1.5 -2,-0.4 39,-0.2 -0.730 11.4-152.2 -81.8 138.5 13.3 -7.1 -31.9 49 341 H K T 5S+ 0 0 75 37,-2.7 3,-0.3 -2,-0.4 -1,-0.1 0.896 74.7 58.4 -71.8 -45.5 13.0 -4.9 -35.0 50 342 H S T 5S+ 0 0 100 36,-0.5 -1,-0.2 1,-0.5 2,-0.1 -0.909 121.0 14.7-144.2 107.0 12.9 -7.4 -37.8 51 343 H P T 5S- 0 0 79 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.623 106.3-116.6 -72.9 159.3 10.6 -9.2 -37.5 52 344 H Q T 5 + 0 0 129 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.415 58.4 131.5 -60.2 120.6 8.7 -7.2 -34.8 53 345 H E E < -K 48 0C 81 -5,-1.5 -5,-3.3 -2,-0.3 2,-0.3 -0.941 60.8-101.9-170.6 149.5 8.4 -9.2 -31.6 54 346 H L E +K 47 0C 47 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.559 37.7 175.3 -69.9 127.8 8.9 -9.0 -27.9 55 347 H L E - 0 0 22 -9,-3.1 2,-0.3 1,-0.4 169,-0.2 0.832 51.6 -32.6 -97.5 -44.9 12.2 -10.7 -27.0 56 348 H b E -K 46 0C 1 -10,-1.4 -10,-3.0 169,-0.1 -1,-0.4 -0.977 55.8 -96.8-164.9 164.5 12.7 -10.2 -23.3 57 349 H G E +K 45 0C 2 169,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.392 38.0 168.8 -88.8-179.5 12.2 -8.1 -20.3 58 350 H A E -K 44 0C 0 -14,-1.2 -14,-2.3 10,-0.1 2,-0.3 -0.922 23.0-122.1-173.7 177.4 14.9 -5.8 -18.9 59 351 H S E -KM 43 67C 0 8,-2.1 8,-2.4 -2,-0.3 2,-0.6 -1.000 14.1-121.4-145.5 150.2 15.0 -3.0 -16.3 60 352 H L E + M 0 66C 0 -18,-2.5 86,-2.1 -2,-0.3 6,-0.2 -0.778 28.9 170.6 -91.0 118.6 15.9 0.7 -16.1 61 353 H I - 0 0 23 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.510 69.7 -9.1-106.5 -8.6 18.7 1.3 -13.6 62 354 H S S S- 0 0 32 3,-1.1 -1,-0.1 85,-0.1 75,-0.1 -0.928 91.9 -72.5-161.6-170.1 19.4 5.0 -14.6 63 355 H D S S+ 0 0 47 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.636 129.6 17.6 -70.6 -9.5 18.3 7.5 -17.2 64 356 H R S S+ 0 0 92 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.437 106.8 82.5-142.9 5.8 20.5 5.8 -19.8 65 357 H W E - N 0 132C 10 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.1 -0.963 47.6-171.8-119.0 138.8 21.4 2.3 -18.7 66 358 H V E -MN 60 131C 0 65,-2.8 65,-2.4 -2,-0.4 2,-0.4 -0.968 10.2-151.4-129.4 130.5 19.2 -0.8 -19.0 67 359 H L E +MN 59 130C 0 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.2 -0.852 27.6 147.4-102.1 141.7 20.0 -4.2 -17.5 68 360 H T E - N 0 129C 0 61,-2.4 61,-2.2 -2,-0.4 2,-0.4 -0.839 50.7 -70.5-154.7-176.6 18.9 -7.6 -19.0 69 361 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.2 4,-0.4 -0.707 33.6-134.0 -85.4 139.0 20.1 -11.2 -19.3 70 362 H A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 3,-2.1 0.874 104.1 64.1 -54.2 -37.6 23.0 -11.9 -21.6 71 363 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.684 91.1 64.7 -66.6 -14.9 21.1 -14.8 -23.1 72 364 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.697 117.5 26.7 -72.3 -22.3 18.5 -12.4 -24.5 73 365 H L T <4 S+ 0 0 1 -3,-2.1 9,-2.5 -4,-0.4 2,-0.4 0.686 129.1 31.3-109.7 -31.3 21.2 -10.9 -26.7 74 366 H L E < +Q 81 0D 31 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.962 53.9 138.1-143.0 114.6 23.8 -13.7 -27.2 75 367 H Y E > > -Q 80 0D 21 5,-2.6 3,-2.2 -2,-0.4 5,-2.0 -0.526 22.4-173.4-155.8 80.5 23.1 -17.4 -27.4 76 368 H P G > 5S+ 0 0 48 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.786 80.0 66.8 -50.5 -35.8 25.2 -19.1 -30.2 77 369 H P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.816 110.7 37.7 -63.9 -18.1 23.6 -22.5 -29.9 78 370 H W G < 5S- 0 0 123 -3,-2.2 3,-0.1 2,-0.1 0, 0.0 0.144 118.8-112.8-106.5 14.4 20.4 -20.9 -31.1 79 371 H D T < 5 + 0 0 151 -3,-2.5 2,-0.6 1,-0.2 -5,-0.0 0.769 66.4 151.6 59.0 30.9 22.2 -18.7 -33.6 80 372 H K E < +Q 75 0D 36 -5,-2.0 -5,-2.6 1,-0.0 -1,-0.2 -0.807 2.9 142.3 -97.0 123.8 21.2 -15.6 -31.5 81 373 H N E -Q 74 0D 116 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.411 28.1-166.3-160.7 76.1 23.7 -12.7 -31.7 82 374 H F - 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