==== 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 2Y7Z . 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 . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.5 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 . 84 29.4 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 . 19 6.6 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 5 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 . 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 0.000 360.0 360.0 360.0 122.1 11.0 14.0 32.2 2 17 A V B -A 179 0A 7 177,-3.0 177,-1.4 142,-0.0 2,-0.1 -0.805 360.0 -17.0 -93.8 124.5 8.9 12.1 34.7 3 18 A G S S+ 0 0 27 -2,-0.5 175,-0.1 130,-0.4 142,-0.1 -0.466 94.9 101.4 75.7-150.4 10.3 12.5 38.2 4 19 A G S S- 0 0 27 -2,-0.1 2,-0.3 143,-0.1 142,-0.2 -0.252 71.4 -82.1 68.6-158.5 13.9 13.8 38.5 5 20 A Q E -B 145 0B 124 140,-2.4 140,-3.1 3,-0.0 2,-0.2 -0.885 40.5 -84.3-138.4 167.1 14.7 17.4 39.4 6 21 A E E -B 144 0B 63 -2,-0.3 2,-0.6 138,-0.2 138,-0.3 -0.512 46.0-112.4 -69.7 139.6 15.0 20.8 37.7 7 22 A a - 0 0 1 136,-2.4 136,-0.2 -2,-0.2 3,-0.1 -0.675 40.5-143.6 -69.0 118.6 18.3 21.6 36.1 8 23 A K > - 0 0 104 -2,-0.6 3,-2.7 1,-0.2 4,-0.4 -0.319 43.6 -49.2 -82.3 170.5 19.7 24.4 38.3 9 24 A D T 3 S- 0 0 92 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.136 127.2 -6.1 -46.7 118.0 21.7 27.4 37.1 10 25 A G T 3 S+ 0 0 1 -3,-0.1 276,-1.7 2,-0.1 -1,-0.3 0.379 101.1 113.7 79.6 -0.4 24.5 26.0 34.8 11 26 A E S < S+ 0 0 65 -3,-2.7 -2,-0.1 1,-0.2 3,-0.1 0.733 82.2 28.9 -78.2 -25.5 23.8 22.4 35.4 12 27 A a > + 0 0 11 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.431 69.6 152.4-130.6 57.8 22.6 21.2 31.9 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.7 0, 0.0 42,-0.2 0.640 66.8 60.9 -71.4 -14.7 24.4 23.6 29.6 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.8 92,-0.1 2,-0.2 0.377 76.1 119.6 -88.7 -0.3 24.5 21.3 26.6 15 30 A Q E < -J 30 0C 9 -3,-1.6 40,-0.6 15,-0.2 2,-0.3 -0.498 41.6-173.9 -71.1 132.0 20.7 21.0 26.4 16 31 A A E -JK 29 54C 1 13,-2.3 13,-1.6 -2,-0.2 2,-0.4 -0.879 10.9-150.1-119.6 157.7 19.2 22.2 23.1 17 32 A L E -JK 28 53C 4 36,-1.8 36,-3.1 -2,-0.3 2,-0.5 -0.994 8.1-143.0-132.4 123.5 15.5 22.6 22.3 18 33 A L E -JK 27 52C 0 9,-3.0 8,-2.3 -2,-0.4 9,-1.1 -0.771 25.4-164.5 -85.6 124.2 14.0 22.2 18.8 19 34 A I E -JK 25 51C 0 32,-2.1 32,-2.0 -2,-0.5 6,-0.2 -0.922 6.8-142.4-116.8 137.1 11.2 24.7 18.4 20 35 A N > - 0 0 30 4,-2.6 3,-2.2 -2,-0.4 30,-0.2 -0.118 45.4 -77.1 -82.4-172.5 8.5 24.8 15.8 21 36 A E T 3 S+ 0 0 138 28,-0.4 29,-0.1 1,-0.3 -1,-0.1 0.692 131.5 57.7 -59.8 -22.2 6.9 27.8 14.0 22 37 A E T 3 S- 0 0 138 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.261 117.9-112.3 -92.2 9.4 4.9 28.6 17.2 23 38 A N S < S+ 0 0 102 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.784 74.8 136.9 59.7 31.9 8.1 28.9 19.2 24 39 A E - 0 0 103 -4,-0.1 -4,-2.6 2,-0.0 -1,-0.2 -0.888 56.8-118.6-108.9 137.7 7.1 25.7 21.1 25 40 A G E +J 19 0C 22 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.512 36.8 162.9 -74.7 137.1 9.6 22.9 21.9 26 41 A F E + 0 0 22 -8,-2.3 2,-0.3 1,-0.4 157,-0.2 0.508 66.3 11.0-125.7 -19.0 8.8 19.5 20.4 27 42 A b E -J 18 0C 2 -9,-1.1 -9,-3.0 157,-0.1 -1,-0.4 -0.969 66.8-124.8-153.5 165.4 12.2 17.8 20.8 28 43 A G E -J 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.494 19.9-171.9-106.0 177.5 15.6 18.1 22.5 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-2.3 -2,-0.2 2,-0.4 -0.937 21.8-119.0-157.6 169.8 19.2 18.1 21.2 30 45 A T E -JL 15 38C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.4 -0.990 24.0-126.0-121.5 129.3 22.7 18.1 22.5 31 46 A I E + L 0 37C 0 -17,-2.8 76,-2.3 -2,-0.4 6,-0.2 -0.566 31.8 171.2 -70.8 123.1 25.2 20.9 21.8 32 47 A L - 0 0 14 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.697 63.7 -27.1-102.5 -30.6 28.3 19.3 20.3 33 48 A S S S- 0 0 31 3,-1.4 -1,-0.4 72,-0.1 65,-0.1 -0.940 82.9 -69.0-166.9-175.8 30.2 22.4 19.3 34 49 A E S S+ 0 0 97 -2,-0.3 64,-2.8 1,-0.2 62,-0.0 0.836 132.2 29.1 -60.9 -28.1 29.6 26.0 18.3 35 50 A F S S+ 0 0 45 62,-0.2 59,-3.0 1,-0.1 2,-0.4 0.649 110.1 69.7-105.6 -16.0 28.1 24.8 15.0 36 51 A Y E - M 0 93C 11 57,-0.2 -4,-2.8 62,-0.1 -3,-1.4 -0.893 46.1-172.3-124.0 141.4 26.5 21.4 15.6 37 52 A I E -LM 31 92C 0 55,-1.9 55,-2.7 -2,-0.4 2,-0.4 -0.957 18.1-141.9-120.8 137.5 23.6 19.9 17.5 38 53 A L E +LM 30 91C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.3 -0.827 34.9 150.7 -98.7 137.1 23.0 16.2 18.0 39 54 A T E - M 0 90C 0 51,-2.7 51,-2.3 -2,-0.4 2,-0.4 -0.891 46.8 -79.7-152.0 179.3 19.4 15.0 17.8 40 55 A A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.3 4,-0.5 -0.738 29.1-136.6 -88.7 137.7 17.1 12.1 16.9 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.3 1,-0.2 -1,-0.1 0.851 103.5 62.9 -59.5 -35.1 16.3 11.4 13.3 42 57 A H G > S+ 0 0 9 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.680 90.5 67.0 -67.2 -15.7 12.6 10.8 14.2 43 58 A b G X S+ 0 0 1 -3,-1.3 3,-1.7 1,-0.2 4,-0.4 0.795 81.0 79.3 -71.6 -25.4 12.3 14.4 15.5 44 59 A L G < S+ 0 0 26 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.111 94.1 48.1 -72.5 22.2 12.8 15.6 11.9 45 60 A Y G < S+ 0 0 140 -3,-0.7 -1,-0.3 -2,-0.3 -2,-0.2 0.398 88.3 81.0-133.0 -14.5 9.1 14.8 11.2 46 61 A Q S < S+ 0 0 117 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.1 0.625 103.7 22.2 -72.8 -16.3 7.4 16.4 14.2 47 61AA A - 0 0 22 -4,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.988 64.5-139.3-152.5 144.5 7.5 19.9 12.6 48 62 A K S S+ 0 0 208 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.825 94.2 14.8 -74.1 -32.7 7.8 21.3 9.1 49 63 A R S S+ 0 0 189 2,-0.0 -28,-0.4 0, 0.0 2,-0.3 -0.989 77.1 170.6-145.1 131.3 10.2 24.1 9.9 50 64 A F - 0 0 34 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.971 19.6-159.1-144.6 159.4 12.2 24.5 13.1 51 65 A K E -KN 19 70C 75 -32,-2.0 -32,-2.1 -2,-0.3 2,-0.5 -0.673 27.4-114.4-121.7 178.1 15.0 26.4 14.8 52 66 A V E -KN 18 69C 0 17,-3.0 17,-3.3 -2,-0.2 2,-0.4 -0.980 21.9-162.2-122.6 127.5 17.2 25.5 17.8 53 67 A R E -KN 17 68C 36 -36,-3.1 -36,-1.8 -2,-0.5 2,-0.3 -0.927 11.1-178.8-108.7 134.6 17.1 27.4 21.1 54 68 A V E +KN 16 67C 3 13,-2.3 13,-2.2 -2,-0.4 -38,-0.1 -0.858 57.9 36.9-125.6 162.7 19.9 27.1 23.6 55 69 A G S S+ 0 0 7 -40,-0.6 2,-0.3 48,-0.6 10,-0.3 0.553 80.7 134.1 76.7 11.6 20.5 28.6 27.1 56 70 A D + 0 0 14 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.741 19.5 156.2 -98.8 138.0 16.8 28.2 28.1 57 71 A R S S+ 0 0 51 -2,-0.3 86,-2.5 1,-0.3 2,-0.4 0.499 74.6 38.5-126.2 -20.3 15.7 26.7 31.5 58 72 A N B > -P 142 0D 4 3,-0.2 3,-0.9 84,-0.2 -1,-0.3 -0.952 60.3-162.3-137.7 110.3 12.2 28.3 31.9 59 73 A T T 3 S+ 0 0 63 82,-2.8 83,-0.1 -2,-0.4 -1,-0.1 0.498 89.9 59.1 -73.1 -1.7 10.0 28.6 28.8 60 74 A E T 3 S+ 0 0 131 81,-0.4 2,-0.3 2,-0.0 -1,-0.2 0.648 106.0 41.5 -99.2 -19.8 7.8 31.2 30.6 61 75 A Q S < S- 0 0 112 -3,-0.9 2,-0.8 0, 0.0 -3,-0.2 -0.831 76.9-120.3-124.7 162.8 10.5 33.9 31.4 62 76 A E + 0 0 163 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.891 27.4 179.7-102.7 100.9 13.4 35.5 29.6 63 77 A E - 0 0 108 -2,-0.8 -1,-0.1 -5,-0.2 -7,-0.0 0.425 45.3-114.5 -83.8 1.5 16.5 34.7 31.8 64 78 A G S S+ 0 0 60 1,-0.1 -8,-0.1 2,-0.0 -1,-0.1 0.146 100.0 79.9 92.6 -19.0 18.9 36.6 29.5 65 79 A G + 0 0 8 -10,-0.3 -9,-0.1 36,-0.0 -11,-0.1 0.475 62.4 118.9 -98.2 -3.5 21.0 33.7 28.3 66 80 A E - 0 0 38 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.313 36.7-179.8 -68.6 144.5 18.6 32.3 25.6 67 81 A A E -N 54 0C 36 -13,-2.2 -13,-2.3 -2,-0.0 2,-0.4 -0.936 15.5-151.1-149.6 121.8 19.7 32.2 22.0 68 82 A V E -N 53 0C 75 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.779 16.2-169.3 -93.9 134.9 17.7 31.1 18.9 69 83 A H E -N 52 0C 12 -17,-3.3 -17,-3.0 -2,-0.4 2,-0.2 -0.982 15.9-134.6-128.6 135.5 19.6 29.6 16.0 70 84 A E E -N 51 0C 88 -2,-0.4 25,-2.8 -19,-0.2 26,-0.5 -0.583 27.1-116.8 -83.2 149.8 18.5 28.8 12.5 71 85 A V E -O 94 0C 26 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.761 24.6-175.8 -90.6 129.4 19.5 25.5 10.9 72 86 A E E S+ 0 0 113 21,-2.9 2,-0.4 -2,-0.4 22,-0.2 0.867 72.2 9.7 -87.5 -47.7 21.7 25.5 7.8 73 87 A V E -O 93 0C 54 20,-1.7 20,-2.7 2,-0.0 2,-0.5 -0.998 59.7-146.1-141.8 141.6 21.8 21.8 7.1 74 88 A V E -O 92 0C 68 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.929 11.5-165.6-105.5 122.9 20.1 18.7 8.4 75 89 A I E -O 91 0C 41 16,-2.9 16,-2.4 -2,-0.5 2,-0.4 -0.846 13.0-178.6-111.6 90.1 22.2 15.5 8.4 76 90 A K E -O 90 0C 66 -2,-0.7 2,-0.2 14,-0.2 14,-0.2 -0.752 36.9-108.5 -90.9 135.6 19.8 12.6 8.9 77 91 A H > - 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