==== 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 3U8R . 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 . 282 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 61.7 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 . 80 28.4 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.2 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 5 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 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.7 19.1 9.6 -6.1 2 292 L D > + 0 0 67 144,-0.0 3,-1.3 2,-0.0 145,-0.1 0.138 360.0 146.3-101.2 16.6 15.4 8.9 -6.2 3 293 L a T 3 + 0 0 33 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.142 60.5 17.2 -60.4 147.7 15.8 5.3 -7.4 4 294 L G T 3 S+ 0 0 0 141,-3.0 236,-1.9 1,-0.2 2,-0.6 0.532 91.2 111.3 75.0 9.6 13.3 2.6 -6.3 5 295 L L < - 0 0 33 -3,-1.3 -1,-0.2 140,-0.3 234,-0.1 -0.963 63.6-139.2-116.6 111.7 10.6 5.0 -5.0 6 296 L R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.2 -0.550 5.1-139.9 -80.5 132.9 7.6 4.7 -7.3 7 297 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.855 103.7 42.6 -55.3 -37.6 5.7 7.8 -8.3 8 298 L L T 3 5S+ 0 0 32 133,-0.5 31,-0.1 30,-0.3 133,-0.1 0.485 130.0 20.5 -92.9 0.5 2.3 6.1 -8.0 9 299 L F T X >S+ 0 0 12 -3,-1.2 5,-2.3 29,-0.1 3,-1.5 0.465 127.5 25.5-128.5 -87.4 3.0 4.3 -4.8 10 300 L E G > 5S+ 0 0 31 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.887 122.3 53.4 -54.9 -40.8 5.8 5.2 -2.4 11 301 L K G 3 > S+ 0 0 33 2,-0.1 3,-1.0 1,-0.1 4,-0.7 0.410 86.2 99.5-131.3 3.9 0.9 -7.6 -3.0 19 309 L E H >> S+ 0 0 13 -3,-0.4 4,-1.9 1,-0.2 3,-0.7 0.819 76.8 67.7 -64.9 -25.3 3.9 -5.8 -1.5 20 310 L R H 3> S+ 0 0 166 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.873 92.1 61.1 -58.1 -37.5 2.7 -6.8 2.0 21 311 L E H <> S+ 0 0 54 -3,-1.0 4,-1.1 1,-0.2 -1,-0.3 0.871 104.9 48.2 -57.4 -36.8 3.5 -10.4 1.1 22 312 L L H < S+ 0 0 95 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.913 110.0 51.8 -54.8 -45.2 7.3 -7.4 3.9 24 314 L E H >< S+ 0 0 81 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.776 98.0 67.1 -68.4 -26.5 5.8 -10.3 5.8 25 315 L S H 3< S+ 0 0 20 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.724 92.0 62.1 -65.8 -22.4 8.4 -12.7 4.4 26 316 L Y T << 0 0 32 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.627 360.0 360.0 -76.0 -15.7 11.1 -10.9 6.3 27 317 L I < 0 0 166 -3,-1.3 -3,-0.0 -4,-0.3 0, 0.0 -0.606 360.0 360.0 -84.9 360.0 9.6 -11.8 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 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.2 4.9 -15.3 -15.8 30 322 H V B -A 220 0A 8 190,-2.9 190,-1.4 1,-0.2 143,-0.1 -0.816 360.0 -1.3 -96.9 129.2 3.1 -18.5 -14.5 31 323 H E S S+ 0 0 116 141,-0.5 -1,-0.2 -2,-0.5 187,-0.1 0.792 101.2 124.2 64.1 32.3 0.5 -18.1 -11.8 32 324 H G - 0 0 27 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.163 51.7-126.7 -98.5-162.3 0.9 -14.4 -11.5 33 325 H S E -B 183 0B 43 150,-2.1 150,-2.2 -2,-0.1 2,-0.2 -0.911 37.0 -71.3-141.9 168.2 -1.7 -11.6 -11.8 34 326 H D E -B 182 0B 92 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.445 52.1-121.5 -62.2 133.5 -2.1 -8.3 -13.7 35 327 H A - 0 0 5 146,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.375 25.3-115.5 -65.3 150.5 0.3 -5.6 -12.5 36 328 H E > - 0 0 63 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.525 46.6 -80.1 -76.7 158.1 -1.3 -2.4 -11.3 37 329 H I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.428 117.6 5.3 -61.4 129.9 -0.5 0.8 -13.3 38 330 H G T 3 S+ 0 0 12 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.3 0.599 91.2 126.6 72.6 12.1 2.9 2.1 -12.4 39 331 H M S < S+ 0 0 2 -3,-1.9 -2,-0.1 1,-0.3 -23,-0.1 0.802 84.9 22.3 -70.7 -29.5 3.6 -0.9 -10.2 40 332 H S S > S+ 0 0 14 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.596 70.5 166.1-136.8 69.6 6.9 -1.6 -12.0 41 333 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.596 75.4 61.2 -74.9 -4.0 8.0 1.7 -13.6 42 334 H W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.418 76.9 121.5 -91.5 -3.5 11.5 0.3 -14.2 43 335 H Q E < -K 59 0C 4 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.424 42.9-170.4 -66.5 132.6 10.1 -2.5 -16.4 44 336 H V E -KL 58 91C 0 14,-2.5 14,-1.3 -2,-0.2 2,-0.5 -0.968 15.9-145.3-125.4 139.2 11.5 -2.4 -19.9 45 337 H M E -KL 57 90C 1 45,-2.8 45,-2.2 -2,-0.4 2,-0.6 -0.911 11.7-150.1 -98.4 124.8 10.4 -4.4 -23.0 46 338 H L E -KL 56 89C 0 10,-2.7 9,-2.8 -2,-0.5 10,-1.5 -0.864 20.6-167.1 -96.4 123.8 13.3 -5.4 -25.3 47 339 H F E -KL 54 88C 25 41,-3.1 41,-2.3 -2,-0.6 2,-0.4 -0.909 19.0-135.2-119.0 134.8 11.9 -5.7 -28.8 48 340 H R E > -KL 53 87C 62 5,-3.1 5,-1.4 -2,-0.4 39,-0.2 -0.715 13.1-151.6 -82.7 136.9 13.4 -7.2 -32.0 49 341 H K T 5S+ 0 0 69 37,-2.7 3,-0.3 -2,-0.4 -1,-0.1 0.877 74.9 59.1 -76.4 -39.8 12.9 -4.9 -35.0 50 342 H S T 5S+ 0 0 101 1,-0.5 -1,-0.3 36,-0.5 2,-0.1 -0.892 120.2 15.8-146.6 104.9 12.9 -7.5 -37.8 51 343 H P T 5S- 0 0 73 0, 0.0 -1,-0.5 0, 0.0 2,-0.4 0.608 105.9-119.1 -71.9 159.5 10.7 -9.4 -37.4 52 344 H Q T 5 + 0 0 130 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.490 58.8 130.7 -65.5 118.6 8.8 -7.4 -34.8 53 345 H E E < -K 48 0C 79 -5,-1.4 -5,-3.1 -2,-0.4 2,-0.4 -0.962 62.4 -97.3-167.4 151.9 8.6 -9.4 -31.7 54 346 H L E +K 47 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.589 37.9 175.3 -66.7 126.4 9.0 -9.3 -28.0 55 347 H L E - 0 0 25 -9,-2.8 2,-0.3 1,-0.4 169,-0.2 0.822 52.1 -37.7 -96.4 -46.8 12.5 -10.7 -27.1 56 348 H b E -K 46 0C 0 -10,-1.5 -10,-2.7 169,-0.1 -1,-0.4 -0.954 55.1 -92.7-167.3 168.0 12.9 -10.2 -23.4 57 349 H G E +K 45 0C 3 169,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.489 38.1 171.6 -90.7 175.0 12.4 -8.2 -20.4 58 350 H A E -K 44 0C 0 -14,-1.3 -14,-2.5 -2,-0.2 2,-0.3 -0.935 21.7-121.5-170.1 175.2 14.9 -5.6 -19.0 59 351 H S E -KM 43 67C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.6 -0.996 13.7-125.0-141.7 146.6 15.1 -2.9 -16.3 60 352 H L E + M 0 66C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.779 28.4 169.8 -90.4 117.0 15.8 0.8 -16.1 61 353 H I - 0 0 22 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.507 69.0 -8.7-108.9 -5.0 18.6 1.5 -13.7 62 354 H S S S- 0 0 32 3,-1.0 -1,-0.1 85,-0.1 75,-0.1 -0.908 92.3 -72.8-164.1-170.2 19.1 5.2 -14.6 63 355 H D S S+ 0 0 48 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.662 129.6 16.9 -70.2 -11.8 17.9 7.7 -17.2 64 356 H R S S+ 0 0 91 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.401 106.9 82.9-142.5 2.0 20.1 6.1 -19.8 65 357 H W E - N 0 132C 11 67,-0.2 -4,-2.4 65,-0.0 -3,-1.0 -0.949 49.1-170.5-120.3 133.6 21.2 2.6 -18.7 66 358 H V E -MN 60 131C 0 65,-2.3 65,-2.6 -2,-0.4 2,-0.4 -0.979 10.7-148.2-123.5 134.7 19.1 -0.6 -19.1 67 359 H L E +MN 59 130C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.3 -0.802 28.9 148.3-103.7 137.5 20.0 -3.9 -17.5 68 360 H T E - N 0 129C 0 61,-2.5 61,-2.3 -2,-0.4 2,-0.4 -0.877 49.6 -73.9-149.3-176.4 19.1 -7.3 -19.1 69 361 H A > - 0 0 0 -12,-0.4 3,-1.2 -2,-0.3 4,-0.5 -0.706 32.8-134.6 -84.4 138.8 20.4 -10.9 -19.4 70 362 H A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 3,-1.7 0.874 104.5 63.5 -57.1 -36.8 23.3 -11.5 -21.7 71 363 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.695 91.8 64.3 -68.3 -16.9 21.6 -14.4 -23.2 72 364 H b G <4 S+ 0 0 4 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.763 117.6 27.3 -67.4 -27.2 18.8 -12.1 -24.5 73 365 H L T <4 S+ 0 0 2 -3,-1.7 9,-2.6 -4,-0.5 2,-0.4 0.689 130.7 30.0-106.3 -29.7 21.5 -10.5 -26.7 74 366 H L E < +Q 81 0D 35 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.930 56.2 137.6-144.2 108.5 24.0 -13.2 -27.3 75 367 H Y E > > -Q 80 0D 16 5,-2.8 3,-2.0 -2,-0.4 5,-1.9 -0.558 21.2-176.9-150.4 81.0 23.4 -17.0 -27.4 76 368 H P G > 5S+ 0 0 49 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.756 75.2 70.2 -55.6 -31.2 25.3 -18.5 -30.2 77 369 H P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.794 111.1 35.2 -61.0 -22.7 23.9 -22.1 -29.8 78 370 H W G < 5S- 0 0 125 -3,-2.0 3,-0.1 2,-0.1 -3,-0.0 0.055 121.6-106.3-112.0 22.6 20.6 -20.7 -31.1 79 371 H D T < 5 + 0 0 149 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.821 69.0 150.1 59.4 34.6 22.2 -18.3 -33.6 80 372 H K E < +Q 75 0D 62 -5,-1.9 -5,-2.8 2,-0.0 -1,-0.2 -0.885 1.3 139.8 -99.1 120.6 21.4 -15.2 -31.4 81 373 H N E -Q 74 0D 118 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.540 29.4-168.6-159.7 83.7 23.8 -12.3 -31.7 82 374 H F - 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