==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 15-APR-10 2XBV . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,J.BENZ,D.SCHLATTER,L.ANSELM,W.HAAP . 277 4 8 5 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 58.1 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 . 81 29.2 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 . 3 1.1 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 . 12 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.2 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 3 0 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 4 1 5 2 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 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 0.000 360.0 360.0 360.0 122.2 20.5 71.0 7.0 2 17 A V B -A 179 0A 9 177,-3.4 177,-1.7 142,-0.0 2,-0.1 -0.857 360.0 -15.3 -97.1 123.0 18.5 72.7 9.8 3 18 A G S S+ 0 0 27 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.506 97.6 98.2 77.6-152.3 21.0 73.8 12.5 4 19 A G S S- 0 0 27 -2,-0.1 2,-0.3 143,-0.1 142,-0.2 -0.236 72.7 -83.9 65.9-157.9 24.5 72.2 12.4 5 20 A Q E -B 145 0B 126 140,-2.3 140,-3.0 3,-0.0 2,-0.2 -0.931 37.8 -86.6-140.9 166.6 27.5 74.1 10.8 6 21 A E E -B 144 0B 100 -2,-0.3 138,-0.3 138,-0.3 2,-0.2 -0.506 50.9-108.7 -73.1 141.8 29.1 74.8 7.5 7 22 A a - 0 0 2 136,-3.2 136,-0.1 -2,-0.2 3,-0.1 -0.547 33.6-134.0 -66.4 134.5 31.6 72.1 6.4 8 23 A K >> - 0 0 122 -2,-0.2 3,-2.1 1,-0.2 4,-0.5 -0.369 46.6 -63.0 -80.9 171.0 35.2 73.4 6.7 9 24 A D T 34 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.1 271,-0.1 -0.304 124.4 2.8 -58.4 125.3 37.6 72.8 3.8 10 25 A G T 34 S+ 0 0 1 -3,-0.1 268,-2.2 2,-0.1 -1,-0.3 0.391 101.2 109.2 79.7 -0.9 38.2 69.0 3.4 11 26 A E T <4 S+ 0 0 32 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.794 86.4 26.9 -77.9 -32.7 35.7 68.1 6.1 12 27 A a S >< S+ 0 0 7 -4,-0.5 3,-1.5 1,-0.1 -1,-0.2 -0.514 73.2 151.3-126.7 62.5 32.9 66.6 4.0 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.5 0, 0.0 42,-0.3 0.670 65.7 62.4 -77.3 -14.7 34.8 65.4 0.8 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.5 -3,-0.1 2,-0.3 0.371 77.2 118.5 -86.6 0.7 32.5 62.5 -0.1 15 30 A Q E < -J 30 0C 9 -3,-1.5 40,-0.6 15,-0.2 2,-0.3 -0.549 41.4-176.3 -71.4 133.3 29.6 64.9 -0.6 16 31 A A E -JK 29 54C 1 13,-2.4 13,-1.4 -2,-0.3 2,-0.4 -0.865 13.1-147.3-121.5 155.1 28.2 65.0 -4.2 17 32 A L E -JK 28 53C 3 36,-2.2 36,-3.2 -2,-0.3 2,-0.5 -0.992 6.3-144.0-127.5 128.1 25.5 67.3 -5.5 18 33 A L E -JK 27 52C 0 9,-3.3 8,-2.0 -2,-0.4 9,-1.0 -0.801 23.4-164.0 -90.5 126.3 22.9 66.3 -8.2 19 34 A I E -JK 25 51C 6 32,-2.7 32,-2.3 -2,-0.5 6,-0.2 -0.914 5.9-144.8-116.4 139.9 22.2 69.3 -10.4 20 35 A N > - 0 0 38 4,-2.5 3,-2.2 -2,-0.4 30,-0.2 -0.168 43.7 -80.9 -89.1-174.1 19.3 69.7 -12.8 21 36 A E T 3 S+ 0 0 109 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.663 130.5 61.4 -63.4 -14.5 19.2 71.4 -16.2 22 37 A E T 3 S- 0 0 131 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.453 117.5-116.3 -85.3 -4.0 18.8 74.8 -14.3 23 38 A N S < S+ 0 0 116 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.717 73.4 138.4 68.3 27.1 22.3 74.0 -12.8 24 39 A E - 0 0 112 1,-0.0 -4,-2.5 -4,-0.0 -1,-0.3 -0.843 57.7-117.5-105.5 140.0 20.4 73.9 -9.4 25 40 A G E +J 19 0C 16 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.460 39.6 159.4 -73.0 135.4 21.0 71.3 -6.6 26 41 A F E + 0 0 17 -8,-2.0 157,-0.3 1,-0.5 2,-0.3 0.445 64.5 12.5-131.8 -13.6 18.0 69.2 -5.8 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-3.3 157,-0.1 -1,-0.5 -0.976 64.9-126.9-156.9 159.5 19.7 66.1 -4.1 28 43 A G E -J 17 0C 1 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.380 19.6-170.1 -98.6 178.3 22.9 64.9 -2.5 29 44 A G E -J 16 0C 0 -13,-1.4 -13,-2.4 10,-0.1 2,-0.4 -0.945 20.5-121.4-155.4 170.5 25.0 61.9 -3.1 30 45 A T E -JL 15 38C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.978 24.8-126.4-120.7 126.8 28.0 60.0 -1.6 31 46 A I E + L 0 37C 0 -17,-2.5 76,-2.2 -2,-0.4 6,-0.2 -0.617 31.3 172.4 -73.4 125.3 31.2 59.4 -3.6 32 47 A L - 0 0 11 4,-3.1 2,-0.3 -2,-0.4 5,-0.2 0.658 64.0 -27.0-101.4 -29.3 31.9 55.6 -3.4 33 48 A S S S- 0 0 9 3,-1.5 -1,-0.4 72,-0.1 65,-0.1 -0.933 83.7 -68.0-168.5-177.1 34.8 55.4 -5.8 34 49 A E S S+ 0 0 90 -2,-0.3 64,-2.9 1,-0.2 62,-0.1 0.816 134.0 26.6 -58.2 -26.4 36.2 57.2 -8.9 35 50 A F S S+ 0 0 42 62,-0.2 59,-3.0 1,-0.1 2,-0.4 0.603 109.9 77.1-112.2 -15.7 33.1 56.0 -11.0 36 51 A Y E - M 0 93C 10 57,-0.2 -4,-3.1 62,-0.1 -3,-1.5 -0.884 44.6-175.9-116.5 136.8 30.3 55.5 -8.4 37 52 A I E -LM 31 92C 0 55,-2.0 55,-2.9 -2,-0.4 2,-0.4 -0.968 18.4-144.3-116.4 133.6 27.9 57.8 -6.5 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.814 34.5 153.1 -96.1 131.9 25.4 56.5 -3.9 39 54 A T E - M 0 90C 0 51,-2.9 51,-2.2 -2,-0.4 2,-0.4 -0.828 46.7 -80.8-144.8-176.8 22.1 58.4 -3.8 40 55 A A > - 0 0 0 -12,-0.4 3,-1.1 49,-0.3 4,-0.5 -0.782 28.2-137.2 -89.6 135.7 18.4 58.0 -3.0 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 4,-0.3 0.859 104.9 63.0 -55.0 -35.5 16.1 56.2 -5.6 42 57 A H G > S+ 0 0 10 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.783 91.6 65.3 -63.5 -25.0 13.4 58.9 -4.9 43 58 A b G X> S+ 0 0 0 -3,-1.1 3,-0.9 1,-0.2 4,-0.6 0.735 87.8 69.0 -65.2 -24.3 15.9 61.6 -6.2 44 59 A L G <4 S+ 0 0 28 -3,-1.5 -1,-0.2 -4,-0.5 3,-0.2 0.712 92.5 59.1 -70.4 -18.9 15.7 60.0 -9.6 45 60 A Y G <4 S+ 0 0 102 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.646 92.7 68.3 -82.2 -20.2 12.0 61.2 -10.0 46 61 A Q T <4 S+ 0 0 96 -3,-0.9 2,-0.4 -4,-0.3 -1,-0.2 0.849 109.5 18.9 -72.5 -39.2 12.8 64.9 -9.6 47 61AA A < - 0 0 14 -4,-0.6 -1,-0.2 -3,-0.2 3,-0.1 -0.981 57.7-153.2-139.2 122.1 14.7 65.6 -12.8 48 62 A K S S+ 0 0 209 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.909 94.1 34.4 -58.3 -41.7 14.7 63.5 -16.0 49 63 A R S S+ 0 0 153 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.949 77.5 151.4-120.2 130.0 18.1 64.8 -16.8 50 64 A F - 0 0 26 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.979 24.6-153.6-150.0 163.8 20.8 65.6 -14.2 51 65 A K E -KN 19 70C 79 -32,-2.3 -32,-2.7 -2,-0.3 2,-0.4 -0.768 23.4-114.0-127.2 176.7 24.5 65.7 -13.7 52 66 A V E -KN 18 69C 0 17,-2.7 17,-3.1 -2,-0.2 2,-0.5 -0.964 18.6-160.8-121.0 131.4 26.8 65.4 -10.6 53 67 A R E -KN 17 68C 34 -36,-3.2 -36,-2.2 -2,-0.4 2,-0.3 -0.933 11.8-173.6-107.4 130.7 28.9 68.2 -9.1 54 68 A V E +KN 16 67C 0 13,-2.7 13,-2.0 -2,-0.5 -38,-0.1 -0.818 61.5 29.0-115.9 160.0 31.8 67.2 -6.8 55 69 A G S S+ 0 0 9 -40,-0.6 2,-0.3 48,-0.6 11,-0.2 0.490 80.1 137.2 74.6 3.8 34.1 69.5 -4.8 56 70 A D + 0 0 10 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.685 18.8 160.1 -87.6 138.0 31.6 72.3 -4.3 57 71 A R S S+ 0 0 63 -2,-0.3 86,-2.3 1,-0.3 2,-0.4 0.485 75.9 36.7-123.8 -20.2 31.3 74.0 -0.9 58 72 A N B > -P 142 0D 17 3,-0.3 3,-1.1 84,-0.2 -1,-0.3 -0.934 62.0-162.1-138.0 112.5 29.6 77.2 -2.0 59 73 A T T 3 S+ 0 0 59 82,-3.1 83,-0.1 -2,-0.4 -1,-0.1 0.612 91.9 56.6 -71.6 -11.8 27.0 77.1 -4.8 60 74 A E T 3 S+ 0 0 143 81,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.552 104.8 55.6 -91.7 -13.7 27.3 80.9 -5.4 61 75 A Q S < S- 0 0 115 -3,-1.1 2,-0.8 2,-0.0 -3,-0.3 -0.982 75.3-137.8-125.9 131.3 31.1 80.9 -6.0 62 76 A E + 0 0 189 -2,-0.4 2,-0.3 -6,-0.1 -3,-0.1 -0.797 39.6 177.3 -86.3 110.4 33.1 78.9 -8.5 63 77 A E > - 0 0 94 -2,-0.8 3,-1.8 -5,-0.2 -5,-0.0 -0.845 35.5 -78.0-118.7 157.0 36.0 77.7 -6.5 64 78 A G T 3 S+ 0 0 77 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.170 112.3 31.9 -50.3 135.8 39.0 75.5 -7.2 65 79 A G T 3 S+ 0 0 29 1,-0.4 -1,-0.2 -3,-0.0 -9,-0.1 0.078 81.7 130.3 101.4 -21.8 38.3 71.8 -7.1 66 80 A E < + 0 0 48 -3,-1.8 -1,-0.4 -11,-0.2 2,-0.3 -0.431 30.3 170.7 -65.7 136.0 34.7 71.9 -8.4 67 81 A A E -N 54 0C 30 -13,-2.0 -13,-2.7 -2,-0.1 2,-0.4 -0.988 25.5-139.3-148.8 148.6 34.0 69.5 -11.3 68 82 A V E -N 53 0C 88 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.919 17.3-169.6-111.4 136.5 30.9 68.3 -13.2 69 83 A H E -N 52 0C 12 -17,-3.1 -17,-2.7 -2,-0.4 2,-0.2 -0.987 16.8-134.6-126.6 138.5 30.4 64.7 -14.2 70 84 A E E -N 51 0C 93 -2,-0.4 25,-2.5 -19,-0.2 2,-0.5 -0.599 26.8-119.6 -84.3 153.2 27.8 63.2 -16.6 71 85 A V E -O 94 0C 34 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.808 26.3-177.3 -95.2 129.8 26.0 60.0 -15.4 72 86 A E E S+ 0 0 112 21,-2.7 2,-0.4 -2,-0.5 22,-0.2 0.848 70.1 17.5 -90.7 -43.9 26.4 57.0 -17.7 73 87 A V E -O 93 0C 57 20,-1.8 20,-2.8 2,-0.0 2,-0.5 -1.000 60.4-154.8-135.2 135.3 24.2 54.4 -15.9 74 88 A V E -O 92 0C 71 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.952 9.6-169.0-107.3 126.0 21.4 54.9 -13.3 75 89 A I E -O 91 0C 39 16,-2.8 16,-2.5 -2,-0.5 2,-0.4 -0.928 10.9-178.4-117.0 98.1 21.0 51.7 -11.1 76 90 A K E -O 90 0C 91 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.861 38.1-102.6 -98.0 135.7 17.7 52.2 -9.1 77 91 A H > - 0 0 14 12,-2.4 3,-1.4 -2,-0.4 12,-0.1 -0.317 27.1-139.3 -55.6 127.0 16.6 49.5 -6.6 78 92 A N T 3 S+ 0 0 142 1,-0.2 -1,-0.2 3,-0.0 9,-0.0 0.677 98.9 56.4 -65.7 -16.3 13.8 47.6 -8.4 79 93 A R T 3 S+ 0 0 160 8,-0.1 -1,-0.2 2,-0.0 7,-0.1 0.455 77.1 119.4 -93.2 -4.0 11.8 47.4 -5.1 80 94 A F < + 0 0 14 -3,-1.4 2,-0.3 7,-0.2 7,-0.2 -0.377 36.2 168.7 -63.7 135.8 11.7 51.2 -4.5 81 95 A T >> - 0 0 56 5,-0.9 4,-2.4 -2,-0.1 3,-0.8 -0.973 41.8-137.3-146.6 141.6 8.2 52.6 -4.4 82 96 A K T 34 S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.687 99.5 75.1 -69.3 -16.2 6.8 56.0 -3.4 83 97 A E T 34 S+ 0 0 176 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.919 121.7 5.1 -59.8 -41.8 4.0 54.2 -1.6 84 98 A T T <4 S- 0 0 62 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.549 86.4-133.4-116.3 -18.8 6.3 53.1 1.3 85 99 A Y < + 0 0 63 -4,-2.4 3,-0.5 1,-0.2 -3,-0.2 0.599 57.9 148.7 63.1 16.7 9.6 54.9 0.5 86 100 A D + 0 0 23 -5,-0.4 -5,-0.9 1,-0.2 -1,-0.2 -0.375 54.8 26.3 -78.4 156.4 11.2 51.5 1.2 87 101 A F S S+ 0 0 25 1,-0.2 2,-2.1 -7,-0.2 -1,-0.2 0.898 76.7 177.2 60.6 41.7 14.4 50.4 -0.7 88 102 A D + 0 0 1 -3,-0.5 2,-0.3 79,-0.2 -1,-0.2 -0.468 33.3 113.1 -82.0 75.0 15.4 54.1 -1.2 89 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -49,-0.3 2,-0.3 -1.000 33.1 167.1-150.0 142.7 18.7 53.6 -2.9 90 104 A A E -MO 39 76C 0 -51,-2.2 -51,-2.9 -2,-0.3 2,-0.4 -0.975 19.4-147.9-151.9 151.0 20.3 54.1 -6.3 91 105 A V E -MO 38 75C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.5 -0.980 12.3-152.3-120.9 138.8 23.9 53.9 -7.5 92 106 A L E -MO 37 74C 0 -55,-2.9 -55,-2.0 -2,-0.4 2,-0.5 -0.947 3.1-151.5-113.1 130.0 25.1 56.2 -10.4 93 107 A R E -MO 36 73C 65 -20,-2.8 -21,-2.7 -2,-0.5 -20,-1.8 -0.908 21.6-139.7 -97.0 126.7 28.0 55.1 -12.7 94 108 A L E - 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