==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 02-FEB-11 2Y81 . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.J.YOUNG,C.ADAMS,M.BLOWS,D.BROWN,C.L.BURNS-KURTIS,L.CHAUDRY . 285 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 62.1 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 . 85 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 4 1.4 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.3 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+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 2 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 . 5 3 1 4 4 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 . 2 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 16 A I 0 0 0 0, 0.0 2,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 121.2 10.9 13.9 32.4 2 17 A V B -A 179 0A 14 177,-3.0 177,-1.5 142,-0.0 2,-0.1 -0.805 360.0 -15.5 -94.1 123.6 8.9 11.9 35.0 3 18 A G S S+ 0 0 29 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.476 95.4 99.8 78.5-152.1 10.5 12.2 38.4 4 19 A G S S- 0 0 20 -2,-0.1 2,-0.3 143,-0.1 142,-0.2 -0.200 71.8 -76.7 68.6-163.0 14.0 13.5 38.6 5 20 A Q E -B 145 0B 112 140,-2.6 140,-3.2 3,-0.0 2,-0.1 -0.864 40.9 -88.5-132.8 163.2 15.0 17.1 39.5 6 21 A E E -B 144 0B 65 -2,-0.3 2,-0.8 138,-0.3 138,-0.3 -0.448 44.5-112.8 -64.3 143.4 15.1 20.6 37.9 7 22 A a - 0 0 2 136,-2.9 136,-0.2 50,-0.1 3,-0.1 -0.773 40.4-147.4 -73.8 115.9 18.3 21.4 36.1 8 23 A K > - 0 0 110 -2,-0.8 3,-2.6 1,-0.2 4,-0.4 -0.341 43.6 -49.4 -80.7 171.9 19.6 24.1 38.4 9 24 A D T 3 S- 0 0 81 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.132 127.1 -4.9 -51.9 119.1 21.7 27.1 37.1 10 25 A G T 3 S+ 0 0 0 -3,-0.1 275,-1.9 2,-0.1 -1,-0.3 0.431 100.9 112.4 79.5 2.4 24.5 25.8 34.8 11 26 A E S < S+ 0 0 53 -3,-2.6 -2,-0.1 1,-0.2 3,-0.1 0.733 84.6 27.8 -81.5 -23.5 23.8 22.1 35.4 12 27 A a S > S+ 0 0 7 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.379 70.3 151.6-132.7 56.9 22.5 21.1 32.0 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.7 0, 0.0 42,-0.3 0.674 67.0 61.4 -71.9 -13.8 24.3 23.6 29.7 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.8 92,-0.1 2,-0.2 0.398 76.1 119.2 -88.4 -0.8 24.3 21.2 26.6 15 30 A Q E < -J 30 0C 8 -3,-1.8 40,-0.6 15,-0.2 2,-0.3 -0.512 41.7-173.8 -69.8 133.7 20.6 21.0 26.5 16 31 A A E -JK 29 54C 1 13,-2.4 13,-1.6 -2,-0.2 2,-0.4 -0.904 10.9-149.5-121.9 152.4 19.0 22.3 23.2 17 32 A L E -JK 28 53C 4 36,-2.7 36,-3.4 -2,-0.3 2,-0.5 -0.990 7.4-143.3-127.1 129.2 15.3 22.6 22.5 18 33 A L E -JK 27 52C 0 9,-3.2 8,-2.2 -2,-0.4 9,-1.0 -0.810 25.1-166.4 -90.9 127.9 13.8 22.3 19.0 19 34 A I E -JK 25 51C 4 32,-2.3 32,-2.2 -2,-0.5 6,-0.2 -0.933 7.8-140.6-122.7 139.8 10.9 24.8 18.7 20 35 A N E > - K 0 50C 35 4,-2.1 3,-2.4 -2,-0.4 30,-0.2 -0.141 44.1 -78.0 -86.6-173.7 8.2 24.9 16.1 21 36 A E T 3 S+ 0 0 106 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.781 131.3 56.8 -53.6 -31.3 6.6 27.9 14.2 22 37 A E T 3 S- 0 0 146 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.315 117.9-112.9 -86.6 8.3 4.5 28.5 17.4 23 38 A N S < S+ 0 0 98 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.771 73.6 135.2 66.6 28.1 7.7 28.9 19.5 24 39 A E - 0 0 121 -4,-0.0 -4,-2.1 2,-0.0 -1,-0.2 -0.898 57.5-117.5-110.8 137.9 6.9 25.7 21.4 25 40 A G E +J 19 0C 21 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.471 37.5 162.2 -72.2 138.4 9.4 22.9 22.3 26 41 A F E + 0 0 20 -8,-2.2 2,-0.3 1,-0.5 157,-0.2 0.447 65.6 12.5-131.0 -12.0 8.6 19.5 20.8 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-3.2 157,-0.1 -1,-0.5 -0.978 67.0-125.5-159.5 160.2 12.0 17.8 21.0 28 43 A G E -J 17 0C 2 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.424 20.1-172.9-100.9 178.2 15.4 18.1 22.7 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-2.4 -2,-0.1 2,-0.4 -0.945 21.9-118.6-159.4 168.8 18.9 18.1 21.3 30 45 A T E -JL 15 38C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.987 24.2-125.6-120.1 129.9 22.5 18.1 22.6 31 46 A I E + L 0 37C 0 -17,-2.8 76,-2.6 -2,-0.4 6,-0.2 -0.610 32.1 171.4 -71.1 120.6 24.9 20.9 21.9 32 47 A L - 0 0 14 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.712 63.2 -26.7 -99.9 -29.2 28.0 19.3 20.3 33 48 A S S S- 0 0 32 3,-1.3 -1,-0.3 72,-0.1 65,-0.1 -0.928 83.1 -69.4-168.5-176.5 29.9 22.4 19.2 34 49 A E S S+ 0 0 99 -2,-0.3 64,-2.6 1,-0.2 62,-0.1 0.835 132.7 28.4 -62.3 -28.6 29.3 26.1 18.2 35 50 A F S S+ 0 0 43 62,-0.2 59,-2.6 58,-0.1 2,-0.4 0.587 110.2 75.5-106.6 -9.4 27.7 24.9 15.0 36 51 A Y E - M 0 93C 20 57,-0.2 -4,-2.7 -3,-0.1 -3,-1.3 -0.886 44.7-175.0-125.7 140.2 26.2 21.5 15.7 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.9 -2,-0.4 2,-0.4 -0.964 17.0-145.1-121.8 136.1 23.3 19.9 17.5 38 53 A L E +LM 30 91C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.845 34.4 149.6 -97.9 135.0 22.7 16.2 18.0 39 54 A T E - M 0 90C 0 51,-2.8 51,-2.1 -2,-0.4 2,-0.4 -0.858 47.2 -78.5-147.7-175.5 19.0 15.0 17.9 40 55 A A > - 0 0 0 -12,-0.4 3,-0.9 49,-0.3 4,-0.4 -0.772 28.4-137.6 -91.7 139.6 16.7 12.1 17.1 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 0.863 103.1 62.2 -61.1 -36.1 15.8 11.5 13.4 42 57 A H G > S+ 0 0 11 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.745 91.6 66.4 -66.4 -21.8 12.2 10.8 14.4 43 58 A b G X S+ 0 0 0 -3,-0.9 3,-1.3 1,-0.2 -1,-0.3 0.737 84.2 75.3 -67.2 -22.5 11.9 14.4 15.7 44 59 A L G < S+ 0 0 24 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.538 92.7 51.7 -71.8 -6.5 12.3 15.7 12.1 45 60 A Y G < S+ 0 0 114 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.485 92.2 75.7-103.7 -7.7 8.7 14.7 11.2 46 61 A Q S < S+ 0 0 95 -3,-1.3 2,-0.3 -4,-0.2 -2,-0.2 0.466 103.2 29.9 -85.6 -4.1 7.1 16.5 14.2 47 61AA A - 0 0 15 -4,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.942 61.0-148.6-156.5 135.5 7.5 20.0 12.7 48 62 A K S S+ 0 0 199 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.934 94.6 10.9 -66.5 -50.7 7.6 21.4 9.1 49 63 A R S S+ 0 0 200 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.985 79.3 168.4-129.7 140.3 10.0 24.2 10.0 50 64 A F E -K 20 0C 31 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.982 19.7-154.2-150.4 159.0 11.8 24.5 13.3 51 65 A K E -KN 19 70C 91 -32,-2.2 -32,-2.3 -2,-0.3 2,-0.5 -0.700 24.9-114.5-122.7 177.2 14.6 26.5 15.0 52 66 A V E -KN 18 69C 0 17,-2.8 17,-3.1 -2,-0.2 2,-0.4 -0.977 20.8-161.2-121.3 128.0 16.9 25.6 18.0 53 67 A R E -KN 17 68C 24 -36,-3.4 -36,-2.7 -2,-0.5 2,-0.3 -0.905 11.2-178.7-105.8 138.0 16.8 27.3 21.3 54 68 A V E +KN 16 67C 2 13,-2.2 13,-2.2 -2,-0.4 -38,-0.1 -0.861 59.0 36.1-126.3 161.9 19.8 27.1 23.8 55 69 A G S S+ 0 0 3 -40,-0.6 2,-0.4 48,-0.6 10,-0.3 0.565 81.2 132.9 75.8 11.0 20.3 28.5 27.3 56 70 A D + 0 0 13 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.767 19.5 155.5-101.0 138.5 16.7 28.1 28.3 57 71 A R S S+ 0 0 48 -2,-0.4 86,-2.6 1,-0.3 2,-0.4 0.469 75.8 39.3-127.5 -17.8 15.6 26.5 31.6 58 72 A N B > -P 142 0D 3 84,-0.2 3,-0.9 3,-0.2 -1,-0.3 -0.936 59.7-163.6-139.9 108.4 12.2 28.1 32.0 59 73 A T T 3 S+ 0 0 61 82,-2.8 83,-0.1 -2,-0.4 -1,-0.1 0.551 89.6 60.3 -71.5 -5.4 9.9 28.5 29.0 60 74 A E T 3 S+ 0 0 127 81,-0.4 2,-0.2 2,-0.0 -1,-0.2 0.682 106.7 38.1 -93.5 -21.5 7.8 31.1 30.9 61 75 A Q S < S- 0 0 131 -3,-0.9 2,-0.7 0, 0.0 -3,-0.2 -0.760 78.1-110.8-126.2 171.8 10.5 33.7 31.7 62 76 A E + 0 0 170 -2,-0.2 -3,-0.1 1,-0.1 -6,-0.0 -0.907 26.1 179.6-105.8 105.5 13.5 35.5 30.2 63 77 A E - 0 0 60 -2,-0.7 -1,-0.1 -5,-0.2 -7,-0.0 0.573 45.6-119.3 -81.6 -11.1 16.7 34.3 32.0 64 78 A G S S+ 0 0 65 1,-0.0 -8,-0.1 2,-0.0 -1,-0.0 0.142 99.5 76.5 93.7 -15.5 18.8 36.6 29.8 65 79 A G + 0 0 8 -10,-0.3 -9,-0.1 2,-0.0 -11,-0.1 0.486 62.0 117.3-105.8 -4.7 20.9 33.7 28.4 66 80 A E - 0 0 41 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.314 38.9-176.3 -65.2 145.1 18.5 32.2 25.9 67 81 A A E -N 54 0C 35 -13,-2.2 -13,-2.2 2,-0.0 2,-0.4 -0.972 16.0-146.6-146.3 129.5 19.4 32.3 22.2 68 82 A V E -N 53 0C 76 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.816 17.0-168.5 -96.7 135.1 17.5 31.1 19.1 69 83 A H E -N 52 0C 12 -17,-3.1 -17,-2.8 -2,-0.4 2,-0.2 -0.981 15.7-135.7-126.4 131.2 19.3 29.6 16.1 70 84 A E E -N 51 0C 87 -2,-0.4 25,-2.5 -19,-0.2 2,-0.5 -0.543 27.3-117.5 -79.4 149.8 18.1 28.9 12.7 71 85 A V E -O 94 0C 25 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.786 27.7-179.3 -91.3 128.6 19.1 25.6 11.1 72 86 A E E S+ 0 0 106 21,-2.9 2,-0.4 -2,-0.5 22,-0.2 0.864 71.7 17.4 -89.2 -46.8 21.2 25.7 8.0 73 87 A V E -O 93 0C 57 20,-1.9 20,-2.8 2,-0.0 2,-0.5 -0.993 60.3-156.0-134.3 134.0 21.6 22.0 7.3 74 88 A V E -O 92 0C 72 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.956 10.4-168.7-108.7 121.7 19.6 19.0 8.5 75 89 A I E -O 91 0C 44 16,-2.8 16,-2.5 -2,-0.5 2,-0.4 -0.894 9.7-176.9-115.2 98.1 21.6 15.7 8.3 76 90 A K E -O 90 0C 68 -2,-0.7 2,-0.2 14,-0.2 14,-0.2 -0.770 36.4-105.1 -95.9 139.0 19.3 12.8 8.9 77 91 A H > - 0 0 15 12,-2.1 3,-1.5 -2,-0.4 12,-0.1 -0.463 26.9-143.6 -63.2 125.1 20.6 9.2 9.1 78 92 A N T 3 S+ 0 0 140 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.713 95.6 57.7 -65.7 -20.9 19.5 7.7 5.8 79 93 A R T 3 S+ 0 0 159 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.407 76.4 121.4 -91.4 2.0 18.8 4.3 7.4 80 94 A F < - 0 0 15 -3,-1.5 2,-0.4 7,-0.2 7,-0.2 -0.483 40.6-173.8 -66.5 131.0 16.3 5.6 9.9 81 95 A T >> - 0 0 62 5,-1.0 4,-2.4 -2,-0.2 3,-0.7 -0.996 30.0-142.9-130.0 135.9 12.8 4.0 9.5 82 96 A K T 34 S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.760 100.1 64.2 -60.7 -26.1 9.6 4.9 11.4 83 97 A E T 34 S+ 0 0 169 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.831 120.8 13.4 -70.3 -37.7 8.8 1.2 11.5 84 98 A T T <4 S- 0 0 76 -3,-0.7 81,-0.2 2,-0.1 -2,-0.2 0.551 87.5-133.2-114.4 -15.8 11.7 0.1 13.7 85 99 A Y >< + 0 0 73 -4,-2.4 3,-0.6 1,-0.2 -3,-0.1 0.600 54.1 153.0 63.2 15.2 13.1 3.4 15.1 86 100 A D T 3 + 0 0 27 -5,-0.4 -5,-1.0 1,-0.2 -1,-0.2 -0.391 58.6 22.5 -72.2 150.5 16.5 2.0 14.1 87 101 A F T 3 S+ 0 0 21 1,-0.2 2,-2.1 -7,-0.2 -1,-0.2 0.876 76.7 176.7 59.2 42.0 19.2 4.7 13.3 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.1 -1,-0.2 -0.496 35.3 111.5 -81.2 76.4 17.3 7.3 15.3 89 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -49,-0.2 2,-0.3 -0.998 34.2 167.7-152.0 142.4 19.9 10.0 14.9 90 104 A A E -MO 39 76C 0 -51,-2.1 -51,-2.8 -2,-0.3 2,-0.4 -0.976 19.6-146.1-151.1 152.6 20.3 13.4 13.1 91 105 A V E -MO 38 75C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.5 -0.973 12.5-152.6-121.4 138.2 22.8 16.3 13.3 92 106 A L E -MO 37 74C 0 -55,-2.9 -55,-2.1 -2,-0.4 2,-0.5 -0.948 1.8-154.3-112.8 128.8 21.9 19.9 12.7 93 107 A R E -MO 36 73C 64 -20,-2.8 -21,-2.9 -2,-0.5 -20,-1.9 -0.901 21.3-139.7 -99.2 128.5 24.2 22.6 11.4 94 108 A L E - 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