==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-OCT-10 3P70 . COMPND 2 MOLECULE: HUMAN ALPHA-THROMBIN, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.CORRAL-RODRIGUEZ,P.E.BOCK,E.HERNANDEZ-CARVAJAL,R.GUTIERR . 1144 18 16 12 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 304 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 80 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 1 0 0 8 1 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 17 18 4 11 12 8 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 . 3 0 2 0 2 4 0 2 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 1 334 A A 0 0 125 0, 0.0 148,-0.0 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -30.1 -2.6 27.8 107.9 2 335 A D > + 0 0 78 146,-0.0 3,-1.6 3,-0.0 147,-0.1 0.021 360.0 156.7 -81.8 18.4 0.1 29.4 110.0 3 336 A a T 3 + 0 0 27 1,-0.2 145,-0.3 145,-0.1 3,-0.1 -0.079 54.0 6.7 -55.2 141.3 1.7 29.7 106.6 4 337 A G T 3 S+ 0 0 0 143,-2.5 239,-1.3 238,-0.2 2,-0.6 0.501 88.5 117.0 71.4 7.0 4.2 32.4 106.0 5 338 A L < - 0 0 33 -3,-1.6 -1,-0.1 142,-0.2 237,-0.1 -0.966 59.8-139.8-104.9 121.7 4.7 33.8 109.5 6 339 A R > > - 0 0 0 -2,-0.6 5,-3.2 1,-0.1 3,-0.5 -0.588 5.2-142.0 -82.8 138.8 8.3 33.1 110.4 7 340 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.880 101.8 44.5 -66.3 -33.9 9.2 32.0 113.9 8 341 A L T 3 5S+ 0 0 36 135,-0.4 33,-0.1 32,-0.3 135,-0.0 0.541 130.5 17.4 -89.9 -5.7 12.3 34.0 114.1 9 342 A F T X >S+ 0 0 13 -3,-0.5 3,-2.0 31,-0.1 5,-1.8 0.487 127.9 26.4-125.4 -90.5 10.8 37.2 112.6 10 343 A E G > 5S+ 0 0 26 1,-0.3 3,-1.5 2,-0.2 -5,-0.1 0.827 116.5 59.1 -51.3 -40.2 7.1 37.8 112.4 11 344 A K G 3 > S+ 0 0 46 2,-0.1 3,-1.9 3,-0.0 4,-1.0 0.477 84.3 98.4-132.4 -3.3 15.7 43.9 103.6 19 352 A E H 3> S+ 0 0 16 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.849 78.2 68.2 -55.3 -34.0 11.9 43.3 103.7 20 353 A R H 3> S+ 0 0 131 -4,-0.3 4,-3.9 1,-0.2 -1,-0.3 0.746 93.5 58.6 -53.5 -24.2 11.3 47.1 103.9 21 354 A E H <> S+ 0 0 46 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.900 102.7 53.2 -79.2 -35.8 12.6 47.3 100.4 22 355 A L H X S+ 0 0 1 -4,-1.0 4,-0.8 -3,-0.2 143,-0.5 0.972 115.0 40.1 -54.7 -49.7 9.8 45.0 99.5 23 356 A L H >X S+ 0 0 74 -4,-2.2 4,-1.8 1,-0.2 3,-1.4 0.930 108.6 59.5 -73.4 -40.0 7.3 47.3 101.1 24 357 A E H 3X S+ 0 0 90 -4,-3.9 4,-2.6 1,-0.3 -1,-0.2 0.911 105.5 52.7 -51.2 -35.0 9.1 50.5 99.8 25 358 A S H 3< S+ 0 0 16 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.729 106.2 52.3 -74.2 -18.9 8.4 49.1 96.3 26 359 A Y H << S+ 0 0 15 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.866 120.5 30.9 -84.4 -30.4 4.7 48.6 97.0 27 360 A I H < S+ 0 0 126 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.787 113.0 62.4 -95.9 -35.4 4.1 52.2 98.2 28 361 A D < 0 0 105 -4,-2.6 0, 0.0 -5,-0.4 0, 0.0 -0.243 360.0 360.0 -82.6 177.6 6.6 54.2 96.2 29 362 A G 0 0 129 -2,-0.0 -1,-0.1 135,-0.0 -2,-0.1 -0.949 360.0 360.0 133.5 360.0 6.6 54.5 92.4 30 !* 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 31 364 B I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 128.2 22.1 33.8 93.3 32 365 B V B +A 223 0A 5 191,-2.7 191,-1.8 1,-0.2 143,-0.1 -0.971 360.0 3.1-124.0 129.2 24.2 36.7 91.7 33 366 B E S S+ 0 0 125 -2,-0.4 -1,-0.2 141,-0.4 188,-0.1 0.781 103.0 124.2 53.9 36.3 24.7 40.0 93.5 34 367 B G - 0 0 29 -3,-0.2 2,-0.3 140,-0.1 153,-0.2 -0.191 51.9-133.0 -96.2-161.5 22.7 38.7 96.5 35 368 B S E -B 186 0B 68 151,-1.7 151,-2.9 -2,-0.1 2,-0.0 -0.930 36.9 -65.2-148.0 169.6 23.9 38.5 100.1 36 369 B D E -B 185 0B 105 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.325 51.7-121.7 -58.9 131.9 23.9 35.9 103.0 37 370 B A - 0 0 5 147,-3.0 2,-0.3 59,-0.1 -1,-0.1 -0.327 29.1-117.9 -60.3 154.6 20.4 34.9 104.2 38 371 B E > - 0 0 49 1,-0.1 3,-2.0 147,-0.0 4,-0.2 -0.667 45.2 -76.9 -91.5 162.1 19.9 35.6 107.9 39 372 B I T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.3 57,-0.1 -0.375 118.2 3.6 -58.1 123.2 19.2 32.7 110.2 40 373 B G T 3 S+ 0 0 13 55,-0.1 -32,-0.3 54,-0.1 -1,-0.3 0.520 90.1 128.9 85.4 8.5 15.6 31.6 109.8 41 374 B M S < S+ 0 0 10 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.636 82.5 22.0 -68.9 -17.4 14.9 34.2 107.0 42 375 B S > + 0 0 12 -4,-0.2 3,-2.3 102,-0.1 -1,-0.3 -0.415 69.3 167.4-156.2 59.4 13.4 31.6 104.6 43 376 B P T 3 S+ 0 0 5 0, 0.0 103,-1.8 0, 0.0 51,-0.1 0.441 76.0 57.4 -74.1 -6.0 12.3 28.7 106.7 44 377 B W T 3 S+ 0 0 2 101,-0.2 18,-2.6 103,-0.1 2,-0.1 0.415 79.4 121.6 -90.9 -8.1 10.2 27.1 103.8 45 378 B Q E < -G 61 0C 5 -3,-2.3 49,-0.8 16,-0.2 2,-0.4 -0.386 46.2-164.6 -63.6 129.9 13.4 27.0 101.6 46 379 B V E -GH 60 93C 0 14,-3.1 14,-0.9 23,-0.2 2,-0.6 -0.951 16.7-144.2-128.1 138.9 14.2 23.4 100.5 47 380 B M E -GH 59 92C 0 45,-3.1 45,-2.7 -2,-0.4 2,-0.5 -0.864 13.4-146.6-101.7 122.4 17.3 21.7 99.0 48 381 B L E -GH 58 91C 0 10,-2.5 9,-3.0 -2,-0.6 10,-1.1 -0.808 25.6-166.7 -89.1 126.6 16.6 19.0 96.5 49 382 B F E -GH 56 90C 0 41,-3.1 41,-2.0 -2,-0.5 2,-0.4 -0.960 20.3-134.6-133.7 122.0 19.4 16.4 96.9 50 383 B R E > -GH 55 89C 58 5,-2.6 5,-0.9 -2,-0.4 39,-0.2 -0.593 12.2-148.8 -78.6 128.5 20.6 13.5 94.8 51 384 B K T 5S+ 0 0 34 37,-2.2 3,-0.2 -2,-0.4 -1,-0.1 0.891 77.4 45.9 -61.4 -46.9 21.3 10.3 96.8 52 385 B S T 5S+ 0 0 48 1,-0.4 -1,-0.2 36,-0.3 2,-0.2 -0.874 120.8 18.3-159.0 122.9 24.1 9.0 94.6 53 386 B P T 5S- 0 0 43 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.674 106.4-121.1 -59.0 157.0 26.4 10.5 93.6 54 387 B Q T 5 + 0 0 51 -2,-0.2 2,-0.3 -3,-0.2 -3,-0.2 -0.594 53.3 138.7 -74.0 130.8 25.6 13.1 96.3 55 388 B E E < -G 50 0C 46 -5,-0.9 -5,-2.6 -2,-0.3 2,-0.5 -0.975 56.2 -98.6-169.5 157.1 24.8 16.5 94.8 56 389 B L E +G 49 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.720 37.1 172.7 -84.8 126.2 22.7 19.6 95.0 57 390 B L E - 0 0 18 -9,-3.0 2,-0.3 -2,-0.5 170,-0.2 0.882 52.3 -41.4-101.8 -53.1 20.0 19.4 92.3 58 391 B b E -G 48 0C 3 -10,-1.1 -10,-2.5 170,-0.1 -1,-0.4 -0.897 53.0 -93.1-156.4-177.7 17.6 22.3 92.9 59 392 B G E +G 47 0C 3 170,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.522 39.8 167.3 -98.0 179.6 15.7 24.4 95.3 60 393 B A E -G 46 0C 0 -14,-0.9 -14,-3.1 -2,-0.2 2,-0.3 -0.940 23.1-114.0-177.0 175.0 12.2 23.9 96.4 61 394 B S E -GI 45 69C 0 8,-1.8 8,-2.7 -2,-0.3 2,-0.8 -0.986 11.1-125.4-145.1 151.8 9.8 25.0 99.0 62 395 B L E + I 0 68C 0 -18,-2.6 86,-2.2 -2,-0.3 6,-0.2 -0.759 30.5 165.0 -90.6 110.6 7.8 23.9 102.0 63 396 B I E S- 0 0 17 4,-2.1 2,-0.2 -2,-0.8 -1,-0.1 0.435 70.9 -15.9-108.0 -1.2 4.1 24.6 101.5 64 397 B S E > S- I 0 67C 36 3,-0.8 3,-0.7 -20,-0.1 -1,-0.3 -0.913 84.8 -78.4 177.3 176.8 2.8 22.4 104.3 65 398 B D T 3 S+ 0 0 75 -2,-0.2 74,-1.9 1,-0.2 3,-0.1 0.487 127.9 36.2 -73.6 3.6 4.0 19.5 106.5 66 399 B R T 3 S+ 0 0 29 72,-0.2 69,-2.0 1,-0.2 2,-0.4 0.547 108.0 61.6-131.7 -13.2 3.5 17.1 103.7 67 400 B W E < -IJ 64 134C 2 -3,-0.7 -4,-2.1 67,-0.2 -3,-0.8 -0.985 47.8-166.5-136.7 133.0 4.4 18.8 100.4 68 401 B V E -IJ 62 133C 0 65,-2.8 65,-2.2 -2,-0.4 2,-0.4 -0.906 18.4-144.0-113.2 145.3 7.4 20.4 98.7 69 402 B L E +IJ 61 132C 0 -8,-2.7 -8,-1.8 -2,-0.4 2,-0.2 -0.904 30.3 148.5-114.1 133.3 7.1 22.6 95.6 70 403 B T E - J 0 131C 0 61,-2.3 61,-1.9 -2,-0.4 2,-0.4 -0.796 45.7 -78.2-149.5-169.9 9.6 22.7 92.8 71 404 B A > - 0 0 0 -12,-0.4 3,-0.9 59,-0.3 59,-0.3 -0.789 31.1-135.5-100.0 143.1 10.3 23.2 89.1 72 405 B A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 3,-2.6 0.844 101.9 63.8 -61.4 -36.4 9.6 20.3 86.7 73 406 B H G 34 S+ 0 0 26 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.595 93.4 67.7 -75.3 -3.9 12.9 20.7 84.8 74 407 B b G <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.689 115.9 22.6 -72.8 -21.3 14.5 19.8 88.1 75 408 B L T <4 S+ 0 0 0 -3,-2.6 9,-2.7 1,-0.3 2,-0.4 0.740 129.1 30.9-121.2 -40.5 13.1 16.3 87.8 76 409 B L E < +M 83 0D 34 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.979 51.1 142.6-136.8 117.5 12.3 15.6 84.2 77 410 B Y E > > -M 82 0D 28 5,-1.3 3,-1.9 -2,-0.4 5,-1.7 -0.628 28.5-162.9-151.9 90.4 14.2 16.9 81.2 78 411 B P G > 5S+ 0 0 50 0, 0.0 3,-0.8 0, 0.0 -1,-0.0 0.592 80.3 61.1 -60.0 -20.6 14.3 14.2 78.6 79 412 B P G 3 5S+ 0 0 57 0, 0.0 587,-0.1 0, 0.0 44,-0.0 0.716 110.4 41.9 -80.9 -17.6 17.1 15.5 76.3 80 413 B W G < 5S- 0 0 51 -3,-1.9 3,-0.1 2,-0.1 587,-0.0 0.101 118.6-109.9-106.3 20.5 19.6 15.4 79.1 81 414 B D T < 5 + 0 0 128 -3,-0.8 2,-0.4 1,-0.2 0, 0.0 0.730 64.2 157.8 55.0 25.7 18.4 12.1 80.3 82 415 B K E < +M 77 0D 49 -5,-1.7 -5,-1.3 1,-0.1 -1,-0.2 -0.658 7.8 135.5 -77.0 130.1 16.9 13.7 83.4 83 416 B N E -M 76 0D 113 -2,-0.4 2,-0.6 -7,-0.2 -7,-0.2 -0.257 28.0-174.9-173.2 74.4 14.2 11.6 85.0 84 417 B F - 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