==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-07 3BG8 . COMPND 2 MOLECULE: COAGULATION FACTOR XIA LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,L.OSTER . 238 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 22 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 1 1 0 0 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 . 3 3 2 5 1 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 . 0 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 1 370 A I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.8 47.0 20.5 3.1 2 371 A V B +A 182 0A 20 180,-3.0 180,-1.6 1,-0.2 134,-0.1 -0.804 360.0 7.0 -95.2 132.9 47.7 16.8 2.4 3 372 A G S S+ 0 0 41 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.687 101.6 121.4 77.6 17.0 45.4 14.9 0.1 4 373 A G - 0 0 12 -3,-0.4 2,-0.3 178,-0.1 144,-0.2 -0.232 52.0-130.7-100.7-171.5 43.5 18.0 -1.1 5 374 A T E -B 147 0B 81 142,-2.1 142,-2.5 -2,-0.1 2,-0.1 -0.911 37.1 -74.9-137.1 167.1 42.9 19.6 -4.4 6 375 A A E -B 146 0B 56 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.338 49.1-123.5 -65.2 137.5 43.1 23.2 -5.7 7 376 A S - 0 0 9 138,-2.8 2,-0.3 55,-0.1 -1,-0.1 -0.451 19.8-111.3 -75.0 154.2 40.4 25.6 -4.7 8 377 A V > - 0 0 93 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.668 49.5 -91.3 -76.2 138.0 38.1 27.5 -7.0 9 378 A R T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.291 109.5 5.9 -54.5 127.9 38.9 31.3 -6.9 10 379 A G T 3 S+ 0 0 37 98,-0.1 -1,-0.3 2,-0.1 52,-0.0 0.487 90.3 117.9 77.6 4.5 36.7 32.9 -4.3 11 380 A E S < S+ 0 0 61 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.732 84.3 36.5 -78.4 -13.8 35.2 29.8 -2.9 12 381 A W S > S+ 0 0 12 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.616 73.0 165.2-127.3 65.9 36.7 30.4 0.6 13 382 A P T 3 S+ 0 0 14 0, 0.0 97,-1.2 0, 0.0 47,-0.3 0.614 70.5 59.5 -71.7 -7.1 36.4 34.2 0.7 14 383 A W T 3 S+ 0 0 1 95,-0.2 19,-2.4 97,-0.1 2,-0.3 0.607 82.8 104.2 -86.8 -12.9 37.1 34.4 4.4 15 384 A Q E < -J 32 0C 5 -3,-2.1 45,-0.5 17,-0.2 46,-0.4 -0.519 49.6-178.2 -76.3 130.2 40.5 32.8 4.1 16 385 A V E -J 31 0C 1 15,-2.4 15,-1.2 -2,-0.3 2,-0.5 -0.851 24.2-133.8-117.5 161.1 43.5 35.1 4.4 17 386 A T E -JK 30 58C 0 41,-2.1 41,-2.5 -2,-0.3 2,-0.6 -0.973 18.7-152.0-109.9 124.9 47.2 34.5 4.1 18 387 A L E -JK 29 57C 2 11,-3.1 10,-3.4 -2,-0.5 11,-1.7 -0.896 16.4-168.0 -99.7 123.5 49.2 36.2 6.8 19 388 A H E -JK 27 56C 10 37,-3.3 37,-2.3 -2,-0.6 2,-0.4 -0.804 14.3-148.4-105.4 152.6 52.8 37.1 5.8 20 389 A T E -JK 26 55C 6 6,-2.3 6,-2.0 -2,-0.3 35,-0.2 -0.895 4.8-154.6-108.7 149.6 55.8 38.2 7.8 21 390 A T + 0 0 45 33,-2.0 4,-0.3 -2,-0.4 34,-0.1 0.405 52.2 129.9 -99.6 -0.1 58.2 40.6 6.2 22 391 A S S S- 0 0 63 32,-0.3 2,-0.2 2,-0.1 4,-0.1 -0.919 85.5 -12.2-112.1 128.9 61.1 39.4 8.4 23 392 A P S S- 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.894 144.3 -22.3 -75.1 -36.4 63.7 38.6 7.3 24 393 A T S S- 0 0 109 -2,-0.2 -4,-0.1 -4,-0.1 -2,-0.1 -0.898 90.1 -75.5-127.1 166.0 62.2 38.6 3.8 25 394 A Q + 0 0 68 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.304 62.5 144.3 -73.5 135.2 58.5 38.3 3.0 26 395 A R E -J 20 0C 129 -6,-2.0 -6,-2.3 -2,-0.1 2,-0.2 -0.982 54.1 -85.2-157.4 156.9 56.9 34.9 3.2 27 396 A H E +J 19 0C 11 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.491 40.0 175.4 -62.0 130.7 53.6 33.2 4.2 28 397 A L E - 0 0 29 -10,-3.4 2,-0.3 1,-0.4 -9,-0.2 0.810 54.9 -28.8-102.0 -49.2 53.5 32.6 7.9 29 398 A a E -J 18 0C 5 -11,-1.7 -11,-3.1 158,-0.1 -1,-0.4 -0.959 57.1 -99.7-160.8 167.0 50.0 31.2 8.6 30 399 A G E +J 17 0C 1 158,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.414 36.9 173.2 -87.0 171.9 46.3 31.1 7.6 31 400 A G E -J 16 0C 1 -15,-1.2 -15,-2.4 -2,-0.1 2,-0.4 -0.965 23.3-120.8-167.5 173.4 43.5 33.1 9.1 32 401 A S E -JL 15 40C 1 8,-2.1 8,-2.8 -2,-0.3 2,-0.4 -0.993 19.1-123.9-131.1 136.1 39.8 34.0 8.7 33 402 A I E + L 0 39C 1 -19,-2.4 79,-2.4 -2,-0.4 6,-0.2 -0.610 38.4 159.8 -71.6 118.9 37.9 37.2 8.2 34 403 A I E + 0 0 28 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.466 65.2 6.0-117.2 -9.8 35.4 37.4 11.0 35 404 A G E > S- L 0 38C 16 3,-1.4 3,-1.3 75,-0.1 -1,-0.4 -0.960 86.8 -88.4-162.1 172.1 34.7 41.2 11.0 36 405 A N T 3 S+ 0 0 74 -2,-0.3 67,-3.0 1,-0.3 65,-0.1 0.771 128.3 21.2 -66.4 -21.6 35.6 44.3 9.0 37 406 A Q T 3 S+ 0 0 53 65,-0.2 62,-2.8 63,-0.0 2,-0.4 0.153 113.2 89.6-122.5 14.0 38.7 44.9 11.1 38 407 A W E < -LM 35 98C 34 -3,-1.3 -4,-2.5 60,-0.2 -3,-1.4 -0.956 43.6-176.7-133.1 129.1 39.3 41.4 12.5 39 408 A I E -LM 33 97C 2 58,-2.2 58,-2.6 -2,-0.4 2,-0.5 -0.961 17.5-148.5-115.7 135.5 41.1 38.2 11.6 40 409 A L E +LM 32 96C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.896 35.9 141.8-103.3 130.2 40.8 35.1 13.7 41 410 A T E - M 0 95C 0 54,-2.7 54,-2.2 -2,-0.5 2,-0.4 -0.714 50.5 -66.4-148.4-167.0 43.9 32.9 13.7 42 411 A A > - 0 0 0 -12,-0.4 3,-1.1 52,-0.3 52,-0.2 -0.803 28.0-142.3-100.7 138.6 46.1 30.6 15.9 43 412 A A G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.2 -1,-0.1 0.836 97.3 66.7 -64.4 -34.0 48.1 32.1 18.7 44 413 A H G > S+ 0 0 47 1,-0.3 3,-1.4 2,-0.1 -1,-0.2 0.713 84.2 74.8 -68.1 -16.0 51.1 29.7 18.1 45 414 A a G < S+ 0 0 8 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.668 86.9 64.2 -65.1 -15.6 51.7 31.5 14.8 46 415 A F G X + 0 0 12 -3,-2.0 3,-2.5 -4,-0.2 -1,-0.3 0.258 64.6 141.3-101.5 14.3 53.2 34.4 16.6 47 416 A Y T < S+ 0 0 216 -3,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.359 83.3 2.7 -52.6 126.5 56.2 32.7 18.2 48 417 A G T 3 S+ 0 0 55 1,-0.2 2,-0.8 -2,-0.1 -1,-0.3 0.524 94.2 132.0 71.0 3.4 59.0 35.2 18.0 49 418 A V < + 0 0 22 -3,-2.5 -1,-0.2 1,-0.2 -3,-0.0 -0.824 27.3 174.3 -85.3 112.5 56.8 37.9 16.5 50 419 A E + 0 0 174 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.595 61.9 26.4 -98.2 -10.3 57.7 40.9 18.6 51 420 A S > - 0 0 39 1,-0.1 3,-1.1 27,-0.0 -1,-0.2 -0.993 63.1-135.2-151.8 141.7 55.7 43.5 16.8 52 421 A P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 24,-0.5 0.634 94.1 86.4 -69.3 -8.7 52.6 43.7 14.5 53 422 A K G 3 S+ 0 0 185 1,-0.3 24,-0.0 22,-0.1 25,-0.0 0.748 83.5 54.0 -65.0 -23.9 54.7 46.0 12.2 54 423 A I G < S+ 0 0 47 -3,-1.1 -33,-2.0 -34,-0.0 2,-0.3 0.417 92.1 97.0 -90.0 0.9 56.2 43.0 10.3 55 424 A L E < -K 20 0C 4 -3,-1.7 21,-0.5 -35,-0.2 2,-0.4 -0.699 46.6-177.4 -97.4 144.3 52.8 41.5 9.5 56 425 A R E -KN 19 75C 64 -37,-2.3 -37,-3.3 -2,-0.3 2,-0.5 -0.995 11.6-154.6-135.2 130.7 50.8 41.8 6.3 57 426 A V E -KN 18 74C 1 17,-2.6 17,-2.8 -2,-0.4 2,-0.5 -0.926 8.5-164.2-106.8 128.1 47.4 40.3 5.7 58 427 A Y E -K 17 0C 1 -41,-2.5 -41,-2.1 -2,-0.5 3,-0.3 -0.956 6.7-173.1-113.5 129.5 46.3 39.5 2.2 59 428 A S + 0 0 18 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.701 62.9 34.2-112.3 161.6 42.7 38.8 1.3 60 429 A G S S+ 0 0 22 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.762 83.0 145.5 68.3 26.4 41.1 37.6 -1.9 61 430 A I + 0 0 22 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.828 25.8 163.4-102.0 135.0 44.1 35.5 -2.8 62 431 A L S S+ 0 0 21 -2,-0.4 83,-2.2 1,-0.3 2,-0.4 0.750 75.1 34.9-101.3 -55.7 44.0 32.2 -4.6 63 432 A N B > -P 144 0D 37 81,-0.2 3,-2.4 1,-0.1 -1,-0.3 -0.861 68.9-139.3-105.1 132.9 47.6 31.8 -5.7 64 433 A Q G > S+ 0 0 29 79,-2.8 3,-2.0 -2,-0.4 -1,-0.1 0.807 102.5 73.4 -55.2 -28.7 50.6 33.1 -3.6 65 434 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.695 82.5 69.2 -58.7 -18.8 52.0 34.2 -7.0 66 435 A E G < S+ 0 0 57 -3,-2.4 2,-0.7 2,-0.0 -1,-0.3 0.667 82.3 88.5 -67.4 -20.6 49.4 37.0 -6.9 67 436 A I < + 0 0 25 -3,-2.0 2,-0.2 -4,-0.3 -1,-0.0 -0.761 54.7 150.0 -92.3 112.7 51.3 38.6 -4.1 68 437 A K > - 0 0 46 -2,-0.7 3,-1.9 4,-0.1 -2,-0.0 -0.763 64.1 -88.0-129.1 177.7 54.0 41.0 -5.3 69 438 A E T 3 S+ 0 0 193 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.833 128.3 49.8 -60.2 -25.8 55.6 44.1 -3.9 70 439 A D T 3 S+ 0 0 146 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.309 85.3 111.9 -94.4 6.9 52.9 46.1 -5.6 71 440 A T S < S- 0 0 34 -3,-1.9 2,-0.1 1,-0.1 -4,-0.1 -0.648 70.9-116.7 -82.9 135.3 49.9 44.1 -4.2 72 441 A S + 0 0 107 -2,-0.3 2,-0.3 -14,-0.0 -1,-0.1 -0.391 40.0 172.9 -69.0 146.4 47.7 45.8 -1.6 73 442 A F - 0 0 79 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.932 32.8-107.7-144.7 169.5 47.6 44.3 1.9 74 443 A F E -N 57 0C 27 -17,-2.8 -17,-2.6 -2,-0.3 2,-0.1 -0.899 29.5-139.6-101.7 127.2 46.2 45.1 5.4 75 444 A G E -N 56 0C 8 -2,-0.5 25,-2.4 -19,-0.2 2,-0.5 -0.419 19.1-120.6 -74.6 161.6 48.5 46.2 8.1 76 445 A V E -O 99 0C 3 -24,-0.5 23,-0.2 -21,-0.5 -21,-0.2 -0.941 24.4-177.7-111.6 124.6 48.1 44.8 11.6 77 446 A Q E S+ 0 0 95 21,-2.9 2,-0.3 -2,-0.5 22,-0.2 0.815 71.0 7.2 -84.7 -36.8 47.5 47.3 14.4 78 447 A E E -O 98 0C 88 20,-1.4 20,-2.6 -26,-0.1 2,-0.5 -0.994 54.0-147.2-153.2 141.0 47.3 44.8 17.3 79 448 A I E -O 97 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.958 18.6-166.0-106.3 122.2 47.9 41.1 18.0 80 449 A I E -O 96 0C 16 16,-3.2 16,-2.7 -2,-0.5 2,-0.4 -0.925 6.4-173.6-113.6 108.5 45.6 39.8 20.7 81 450 A I E -O 95 0C 70 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.827 37.1 -99.1-101.3 138.8 46.7 36.4 22.0 82 451 A H > - 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