==== 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 2XBX . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,J.BENZ,D.SCHLATTER,W.HAAP . 278 3 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 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 . 82 29.5 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 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 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 4 1 4 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 . 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,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 125.8 20.2 71.1 6.8 2 17 A V B -A 179 0A 13 177,-3.4 177,-1.9 142,-0.0 2,-0.2 -0.867 360.0 -15.3 -98.5 122.9 18.3 72.8 9.7 3 18 A G S S+ 0 0 28 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.585 96.8 101.4 81.5-148.7 20.7 74.0 12.4 4 19 A G S S- 0 0 26 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.230 71.5 -89.4 66.7-158.7 24.2 72.4 12.2 5 20 A Q E -B 145 0B 124 140,-2.1 140,-3.1 3,-0.0 2,-0.1 -0.948 37.0 -85.1-147.2 164.0 27.1 74.4 10.7 6 21 A E E -B 144 0B 100 -2,-0.3 138,-0.3 138,-0.3 2,-0.2 -0.476 51.4-112.5 -70.2 140.7 28.9 75.0 7.4 7 22 A a - 0 0 3 136,-2.6 136,-0.1 -2,-0.1 2,-0.1 -0.555 31.4-128.9 -72.9 142.8 31.4 72.2 6.6 8 23 A K > - 0 0 125 -2,-0.2 3,-2.1 1,-0.2 4,-0.5 -0.423 45.7 -65.0 -85.5 168.9 35.0 73.5 6.6 9 24 A D T 3 S+ 0 0 69 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.302 124.2 6.3 -55.6 128.4 37.3 72.9 3.7 10 25 A G T 3 S+ 0 0 1 -3,-0.1 268,-1.7 269,-0.1 -1,-0.3 0.321 100.3 107.7 79.6 -5.5 38.0 69.2 3.4 11 26 A E S < S+ 0 0 36 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.781 87.5 25.1 -76.8 -29.5 35.5 68.2 6.1 12 27 A a S > S+ 0 0 8 -4,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.415 71.6 152.4-132.4 57.4 32.7 66.6 3.9 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.4 0, 0.0 42,-0.3 0.665 67.3 62.9 -62.9 -20.9 34.7 65.5 0.7 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.7 92,-0.1 93,-0.2 0.449 76.0 117.1 -85.3 -2.4 32.3 62.7 -0.1 15 30 A Q E < -J 30 0C 8 -3,-1.7 40,-0.6 15,-0.2 2,-0.3 -0.441 41.1-178.3 -66.5 135.2 29.4 65.1 -0.7 16 31 A A E -JK 29 54C 1 13,-2.0 13,-1.6 38,-0.1 2,-0.4 -0.946 13.9-147.0-130.1 153.2 28.0 65.2 -4.2 17 32 A L E -JK 28 53C 4 36,-2.4 36,-2.9 -2,-0.3 2,-0.5 -0.986 6.8-142.3-125.9 131.1 25.2 67.4 -5.5 18 33 A L E -JK 27 52C 0 9,-3.3 8,-2.1 -2,-0.4 9,-0.9 -0.818 23.0-162.1 -92.4 129.4 22.7 66.4 -8.2 19 34 A I E -JK 25 51C 6 32,-2.8 32,-2.1 -2,-0.5 6,-0.2 -0.933 3.8-143.5-118.2 137.5 21.9 69.3 -10.4 20 35 A N E > - K 0 50C 28 4,-2.6 3,-2.6 -2,-0.4 30,-0.2 -0.110 41.2 -80.8 -86.9-175.5 19.0 69.7 -12.7 21 36 A E T 3 S+ 0 0 110 28,-0.6 29,-0.1 1,-0.3 -1,-0.1 0.779 130.0 58.7 -56.0 -29.2 18.6 71.3 -16.1 22 37 A E T 3 S- 0 0 148 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.376 118.0-114.6 -82.1 4.7 18.3 74.7 -14.4 23 38 A N S < S+ 0 0 120 -3,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.748 75.0 134.8 66.2 25.1 21.8 74.0 -12.9 24 39 A E - 0 0 102 -4,-0.0 -4,-2.6 1,-0.0 -1,-0.3 -0.880 59.5-115.8-109.9 136.4 20.1 74.0 -9.5 25 40 A G E +J 19 0C 13 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.428 39.0 161.4 -68.7 136.8 20.8 71.4 -6.8 26 41 A F E + 0 0 17 -8,-2.1 157,-0.3 1,-0.5 2,-0.3 0.478 62.8 11.1-131.9 -12.9 17.9 69.2 -5.8 27 42 A b E -J 18 0C 0 -9,-0.9 -9,-3.3 157,-0.1 -1,-0.5 -0.978 66.2-126.0-160.1 159.7 19.4 66.2 -4.0 28 43 A G E -J 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.400 19.4-170.0-102.1-177.8 22.7 65.1 -2.6 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-2.0 -2,-0.1 2,-0.4 -0.954 20.1-120.6-161.2 170.0 24.8 62.0 -3.2 30 45 A T E -JL 15 38C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.989 23.7-125.6-123.9 129.5 27.9 60.2 -1.7 31 46 A I E + L 0 37C 0 -17,-2.7 76,-2.2 -2,-0.4 6,-0.2 -0.615 32.1 170.7 -73.9 127.3 31.0 59.6 -3.6 32 47 A L - 0 0 14 4,-2.9 2,-0.3 1,-0.4 5,-0.2 0.667 65.3 -21.8-106.3 -30.8 31.8 55.8 -3.3 33 48 A S S S- 0 0 11 3,-1.4 -1,-0.4 72,-0.1 65,-0.1 -0.919 83.7 -74.0-162.3-176.1 34.6 55.6 -5.9 34 49 A E S S+ 0 0 84 -2,-0.3 64,-3.0 1,-0.2 62,-0.1 0.782 132.1 31.0 -64.7 -23.1 35.9 57.5 -8.9 35 50 A F S S+ 0 0 44 62,-0.2 59,-3.1 1,-0.1 2,-0.4 0.604 109.7 72.3-109.3 -12.7 33.0 56.2 -11.0 36 51 A Y E - M 0 93C 9 57,-0.2 -4,-2.9 62,-0.1 -3,-1.4 -0.905 45.5-173.7-122.4 141.1 30.1 55.8 -8.5 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.9 -2,-0.4 2,-0.4 -0.953 17.3-145.9-120.2 135.6 27.7 58.0 -6.6 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.3 -0.841 35.1 147.3-100.0 133.5 25.3 56.6 -4.0 39 54 A T E - M 0 90C 0 51,-2.8 51,-2.2 -2,-0.4 2,-0.3 -0.847 48.5 -75.2-150.5-173.1 22.0 58.5 -3.7 40 55 A A >> - 0 0 0 -12,-0.4 3,-0.9 49,-0.3 4,-0.5 -0.734 28.6-135.5 -93.6 140.0 18.3 57.9 -3.0 41 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.2 4,-0.4 0.858 103.7 62.0 -58.4 -36.6 16.0 56.3 -5.6 42 57 A H G >4 S+ 0 0 10 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.785 92.3 65.9 -65.3 -20.4 13.3 58.9 -4.9 43 58 A b G X4 S+ 0 0 0 -3,-0.9 3,-1.1 1,-0.2 -1,-0.3 0.797 86.9 69.4 -68.9 -25.6 15.6 61.6 -6.1 44 59 A L G << S+ 0 0 31 -3,-1.4 3,-0.4 -4,-0.5 -1,-0.2 0.689 95.3 55.8 -66.9 -18.8 15.6 60.1 -9.6 45 60 A Y G < S+ 0 0 102 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.687 92.8 71.1 -84.7 -20.6 12.0 61.2 -10.0 46 61 A Q S < S+ 0 0 87 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.390 102.6 30.8 -82.0 0.3 12.6 64.9 -9.3 47 61AA A - 0 0 13 -3,-0.4 -1,-0.2 -4,-0.2 3,-0.1 -0.837 63.8-144.9-160.9 119.9 14.4 65.9 -12.4 48 62 A K S S+ 0 0 193 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.910 94.1 13.7 -51.9 -44.7 14.1 64.5 -15.9 49 63 A R S S+ 0 0 162 -3,-0.1 -28,-0.6 2,-0.0 2,-0.3 -0.971 75.7 166.0-135.2 147.3 17.7 65.0 -16.5 50 64 A F E -K 20 0C 29 -2,-0.4 21,-0.5 -30,-0.2 2,-0.3 -0.986 18.7-153.6-155.8 163.6 20.6 65.8 -14.1 51 65 A K E -KN 19 70C 82 -32,-2.1 -32,-2.8 -2,-0.3 2,-0.4 -0.787 25.3-114.0-129.3 176.4 24.3 65.9 -13.7 52 66 A V E -KN 18 69C 0 17,-2.7 17,-3.1 -2,-0.3 2,-0.4 -0.953 20.6-163.8-122.3 132.7 26.6 65.5 -10.7 53 67 A R E -KN 17 68C 35 -36,-2.9 -36,-2.4 -2,-0.4 2,-0.3 -0.954 9.6-174.4-115.1 132.6 28.8 68.2 -9.2 54 68 A V E +KN 16 67C 1 13,-2.4 13,-1.8 -2,-0.4 -38,-0.1 -0.825 60.5 31.4-119.1 164.5 31.6 67.4 -6.8 55 69 A G S S+ 0 0 9 -40,-0.6 2,-0.4 48,-0.5 11,-0.2 0.509 79.4 136.4 71.4 5.9 33.9 69.6 -4.8 56 70 A D + 0 0 10 -41,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.679 19.7 161.0 -91.4 137.7 31.4 72.4 -4.3 57 71 A R S S+ 0 0 59 -2,-0.4 86,-2.4 1,-0.3 2,-0.4 0.528 74.8 36.5-122.3 -17.5 31.0 74.1 -1.0 58 72 A N B > -P 142 0D 13 3,-0.3 3,-1.3 84,-0.2 -1,-0.3 -0.934 62.3-161.8-139.9 110.9 29.3 77.4 -2.1 59 73 A T T 3 S+ 0 0 54 82,-2.9 83,-0.1 -2,-0.4 -1,-0.1 0.648 90.2 57.1 -71.9 -11.2 26.8 77.2 -4.9 60 74 A E T 3 S+ 0 0 143 81,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.540 106.0 52.4 -95.3 -3.8 27.0 81.0 -5.5 61 75 A Q S < S- 0 0 112 -3,-1.3 2,-0.7 2,-0.0 -3,-0.3 -0.993 75.3-135.4-133.4 134.9 30.8 81.0 -6.1 62 76 A E + 0 0 187 -2,-0.4 2,-0.3 -6,-0.1 -3,-0.1 -0.802 37.7 176.5 -88.7 117.1 32.9 78.9 -8.5 63 77 A E > - 0 0 87 -2,-0.7 3,-2.1 -5,-0.2 -5,-0.0 -0.859 38.4 -75.9-122.9 158.4 35.9 77.8 -6.6 64 78 A G T 3 S+ 0 0 77 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.142 114.0 33.1 -48.6 137.3 38.9 75.6 -7.2 65 79 A G T 3 S+ 0 0 26 1,-0.4 -1,-0.2 -3,-0.0 -9,-0.1 0.072 80.2 127.2 102.6 -26.2 37.9 72.0 -7.1 66 80 A E < + 0 0 49 -3,-2.1 -1,-0.4 -11,-0.2 2,-0.3 -0.450 31.3 168.4 -67.2 142.0 34.4 72.1 -8.5 67 81 A A E -N 54 0C 29 -13,-1.8 -13,-2.4 -2,-0.1 2,-0.4 -0.990 26.7-135.5-153.6 147.7 33.7 69.7 -11.4 68 82 A V E -N 53 0C 90 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.875 17.4-169.2-108.7 140.1 30.7 68.4 -13.2 69 83 A H E -N 52 0C 13 -17,-3.1 -17,-2.7 -2,-0.4 2,-0.2 -0.989 16.4-135.4-130.0 134.1 30.1 64.9 -14.2 70 84 A E E -N 51 0C 89 -2,-0.4 25,-2.5 -19,-0.2 2,-0.5 -0.579 26.9-119.2 -83.0 151.3 27.5 63.4 -16.6 71 85 A V E -O 94 0C 35 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.792 26.5-177.2 -93.4 126.4 25.8 60.2 -15.4 72 86 A E E + 0 0 113 21,-2.5 2,-0.4 -2,-0.5 22,-0.2 0.885 69.5 13.9 -88.7 -42.6 26.3 57.2 -17.7 73 87 A V E -O 93 0C 62 20,-2.0 20,-2.8 2,-0.0 2,-0.5 -0.998 60.1-154.2-138.3 137.8 24.1 54.6 -15.9 74 88 A V E -O 92 0C 65 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.953 8.4-169.4-111.7 125.2 21.4 54.9 -13.3 75 89 A I E -O 91 0C 43 16,-2.8 16,-2.6 -2,-0.5 2,-0.4 -0.931 10.5-178.4-116.3 101.7 20.9 51.8 -11.2 76 90 A K E -O 90 0C 71 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.817 38.5-101.0 -98.9 141.4 17.7 52.2 -9.1 77 91 A H > - 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