==== 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 16-APR-10 2XC5 . 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 . 278 3 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 58.6 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 29.1 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 . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.5 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 2 3 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,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 126.8 20.3 71.3 6.9 2 17 A V B -A 179 0A 6 177,-3.3 177,-1.5 142,-0.0 2,-0.1 -0.843 360.0 -14.9 -94.0 127.5 18.4 73.0 9.8 3 18 A G S S+ 0 0 27 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.495 97.2 100.3 73.6-148.1 20.8 74.1 12.5 4 19 A G S S- 0 0 25 -2,-0.1 2,-0.3 143,-0.1 142,-0.2 -0.202 70.9 -91.8 59.9-157.9 24.3 72.6 12.2 5 20 A Q E -B 145 0B 125 140,-2.1 140,-3.1 -3,-0.1 3,-0.1 -0.978 36.6 -79.4-150.3 157.4 27.2 74.6 10.7 6 21 A E E -B 144 0B 90 -2,-0.3 138,-0.3 138,-0.3 2,-0.2 -0.327 53.8-110.3 -55.6 134.7 29.0 75.2 7.4 7 22 A a - 0 0 3 136,-2.8 136,-0.1 50,-0.1 2,-0.1 -0.538 32.8-127.7 -65.4 136.6 31.5 72.4 6.5 8 23 A K > - 0 0 128 -2,-0.2 3,-2.5 1,-0.2 4,-0.5 -0.411 46.7 -65.6 -77.0 162.5 35.1 73.5 6.8 9 24 A D T 3 S+ 0 0 71 1,-0.3 -1,-0.2 2,-0.1 271,-0.1 -0.246 123.1 1.2 -52.4 126.2 37.5 73.0 3.9 10 25 A G T 3 S+ 0 0 1 -3,-0.1 268,-1.6 2,-0.1 -1,-0.3 0.450 100.0 111.7 75.4 2.8 38.0 69.3 3.4 11 26 A E S < S+ 0 0 44 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.764 85.8 27.4 -81.4 -27.0 35.6 68.3 6.1 12 27 A a S > S+ 0 0 7 -4,-0.5 3,-1.5 1,-0.1 -1,-0.2 -0.455 71.6 152.2-130.5 58.0 32.9 66.8 3.9 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.2 0.658 66.3 63.1 -72.7 -15.3 34.8 65.6 0.8 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-3.0 92,-0.1 93,-0.2 0.446 76.2 119.3 -86.7 -1.4 32.4 62.8 -0.1 15 30 A Q E < -J 30 0C 11 -3,-1.5 40,-0.6 15,-0.2 2,-0.3 -0.452 40.3-176.7 -69.2 132.2 29.5 65.2 -0.7 16 31 A A E -JK 29 54C 0 13,-2.4 13,-1.6 -2,-0.2 2,-0.4 -0.899 12.8-148.3-123.6 155.3 28.1 65.3 -4.2 17 32 A L E -JK 28 53C 3 36,-2.3 36,-3.4 -2,-0.3 2,-0.5 -0.990 6.4-144.7-128.1 126.0 25.3 67.5 -5.5 18 33 A L E -JK 27 52C 0 9,-3.0 8,-2.1 -2,-0.4 9,-1.0 -0.785 21.7-161.8 -87.4 126.7 22.8 66.5 -8.2 19 34 A I E -JK 25 51C 6 32,-2.6 32,-2.3 -2,-0.5 6,-0.2 -0.934 3.5-143.6-115.7 139.3 22.0 69.5 -10.4 20 35 A N E > - K 0 50C 26 4,-2.7 3,-2.2 -2,-0.4 30,-0.2 -0.113 41.0 -80.6 -89.7-175.7 18.9 69.9 -12.6 21 36 A E T 3 S+ 0 0 117 28,-0.5 29,-0.1 1,-0.3 -1,-0.0 0.757 129.9 58.4 -57.1 -27.9 18.4 71.5 -16.1 22 37 A E T 3 S- 0 0 140 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.272 118.6-113.9 -85.5 10.1 18.2 74.9 -14.4 23 38 A N S < S+ 0 0 120 -3,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.719 75.6 135.4 62.6 24.9 21.7 74.3 -13.0 24 39 A E - 0 0 105 1,-0.0 -4,-2.7 2,-0.0 -1,-0.2 -0.833 59.0-117.7-106.9 135.7 20.1 74.2 -9.5 25 40 A G E +J 19 0C 12 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.467 38.3 161.8 -68.5 140.2 20.9 71.6 -6.8 26 41 A F E + 0 0 21 -8,-2.1 2,-0.3 1,-0.4 157,-0.3 0.459 61.7 15.7-135.0 -12.8 17.9 69.4 -5.8 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-3.0 157,-0.1 -1,-0.4 -0.984 66.1-124.8-157.5 159.4 19.5 66.4 -4.0 28 43 A G E -J 17 0C 1 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.423 20.6-170.6 -99.0 173.7 22.7 65.2 -2.5 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-2.4 -2,-0.1 2,-0.4 -0.951 19.7-121.8-153.8 170.1 24.9 62.2 -3.2 30 45 A T E -JL 15 38C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.4 -0.981 22.6-126.9-120.3 124.8 27.9 60.3 -1.7 31 46 A I E + L 0 37C 0 -17,-3.0 76,-2.2 -2,-0.4 6,-0.2 -0.552 32.4 169.2 -66.6 119.9 31.1 59.7 -3.6 32 47 A L - 0 0 15 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.717 65.6 -24.2 -99.3 -30.0 31.8 55.9 -3.3 33 48 A S S S- 0 0 12 3,-1.4 -1,-0.4 72,-0.1 65,-0.1 -0.912 83.2 -72.0-164.9-177.2 34.7 55.8 -5.9 34 49 A E S S+ 0 0 92 -2,-0.3 64,-3.0 1,-0.2 62,-0.1 0.781 132.6 28.8 -63.6 -23.3 36.0 57.6 -8.9 35 50 A F S S+ 0 0 42 62,-0.2 59,-3.1 1,-0.1 2,-0.4 0.563 110.0 71.9-110.2 -12.9 33.0 56.3 -11.0 36 51 A Y E - M 0 93C 11 57,-0.2 -4,-2.8 -3,-0.1 -3,-1.4 -0.917 46.6-174.1-124.2 133.9 30.1 55.8 -8.5 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.8 -2,-0.4 2,-0.4 -0.977 18.7-142.6-118.6 136.6 27.8 58.1 -6.5 38 53 A L E +LM 30 91C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.809 35.5 150.0 -98.4 131.9 25.3 56.8 -3.9 39 54 A T E - M 0 90C 0 51,-2.9 51,-2.1 -2,-0.4 2,-0.4 -0.825 46.7 -79.2-147.8-174.6 22.0 58.6 -3.8 40 55 A A >> - 0 0 0 -12,-0.4 3,-0.9 49,-0.3 4,-0.5 -0.789 28.4-134.8 -95.2 140.2 18.3 58.1 -2.9 41 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.2 4,-0.3 0.839 104.1 61.9 -53.8 -37.0 16.0 56.4 -5.5 42 57 A H G >4 S+ 0 0 10 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.755 92.1 66.3 -69.5 -22.2 13.3 59.0 -4.9 43 58 A b G X4 S+ 0 0 0 -3,-0.9 3,-1.4 1,-0.2 4,-0.4 0.803 88.2 67.6 -64.0 -28.6 15.7 61.8 -6.1 44 59 A L G << S+ 0 0 27 -3,-1.2 3,-0.4 -4,-0.5 -1,-0.2 0.714 94.3 57.5 -68.9 -18.9 15.6 60.3 -9.6 45 60 A Y G < S+ 0 0 102 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.621 93.7 69.0 -83.7 -14.2 11.9 61.3 -10.0 46 61 A Q S < S+ 0 0 94 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.595 103.1 31.8 -89.3 -14.7 12.5 65.0 -9.4 47 61AA A - 0 0 15 -3,-0.4 -1,-0.2 -4,-0.4 3,-0.1 -0.963 61.0-147.3-148.3 129.9 14.4 65.9 -12.5 48 62 A K S S+ 0 0 205 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.931 93.9 14.2 -59.6 -48.9 14.2 64.6 -16.1 49 63 A R S S+ 0 0 176 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.976 76.1 166.8-128.8 142.6 17.9 65.2 -16.6 50 64 A F E -K 20 0C 28 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.981 18.3-153.9-151.0 159.1 20.6 65.9 -14.1 51 65 A K E -K 19 0C 82 -32,-2.3 -32,-2.6 -2,-0.3 2,-0.4 -0.731 24.0-115.0-124.1 176.1 24.3 66.1 -13.7 52 66 A V E -KN 18 69C 0 17,-2.7 17,-2.6 -2,-0.2 2,-0.5 -0.973 19.7-161.5-120.9 127.9 26.6 65.7 -10.6 53 67 A R E -KN 17 68C 34 -36,-3.4 -36,-2.3 -2,-0.4 2,-0.3 -0.939 10.3-174.2-108.2 131.0 28.8 68.4 -9.1 54 68 A V E +KN 16 67C 0 13,-2.2 13,-1.8 -2,-0.5 -38,-0.1 -0.799 61.6 28.7-114.2 159.1 31.6 67.5 -6.8 55 69 A G S S+ 0 0 9 -40,-0.6 2,-0.3 48,-0.5 11,-0.1 0.537 80.1 136.3 75.5 6.7 33.9 69.8 -4.8 56 70 A D + 0 0 9 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.701 20.5 163.3 -94.1 139.6 31.5 72.6 -4.3 57 71 A R S S+ 0 0 54 -2,-0.3 86,-2.6 1,-0.3 2,-0.3 0.520 75.8 34.6-123.5 -17.5 31.0 74.3 -1.0 58 72 A N B > -P 142 0D 12 3,-0.3 3,-1.1 84,-0.2 -1,-0.3 -0.932 62.1-162.1-143.8 109.2 29.2 77.5 -2.1 59 73 A T T 3 S+ 0 0 52 82,-2.8 83,-0.1 -2,-0.3 -1,-0.1 0.648 90.4 58.5 -72.0 -13.1 26.8 77.2 -4.9 60 74 A E T 3 S+ 0 0 146 81,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.599 106.2 52.0 -87.6 -12.7 26.8 81.0 -5.5 61 75 A Q S < S- 0 0 116 -3,-1.1 2,-0.9 80,-0.2 -3,-0.3 -0.986 75.1-135.6-130.9 130.0 30.6 81.2 -6.1 62 76 A E + 0 0 186 -2,-0.4 2,-0.3 -6,-0.1 -3,-0.1 -0.758 37.3 175.1 -80.7 109.3 32.8 79.2 -8.5 63 77 A E > - 0 0 98 -2,-0.9 3,-1.5 -5,-0.2 -5,-0.0 -0.796 40.2 -78.0-113.1 160.2 35.8 78.2 -6.4 64 78 A G T 3 S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.202 111.8 36.9 -54.4 142.3 38.7 76.0 -7.3 65 79 A G T 3 S+ 0 0 31 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.159 77.4 128.2 100.4 -17.9 38.0 72.3 -7.2 66 80 A E < + 0 0 49 -3,-1.5 -1,-0.4 -11,-0.1 2,-0.3 -0.507 31.9 174.9 -69.4 139.6 34.4 72.2 -8.5 67 81 A A E -N 54 0C 25 -13,-1.8 -13,-2.2 -2,-0.2 2,-0.4 -0.990 22.4-138.5-144.8 149.8 33.8 69.8 -11.3 68 82 A V E -N 53 0C 90 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.903 17.7-169.9-112.4 136.7 30.8 68.6 -13.3 69 83 A H E -N 52 0C 13 -17,-2.6 -17,-2.7 -2,-0.4 2,-0.2 -0.985 16.5-136.4-128.3 134.0 30.1 65.1 -14.3 70 84 A E - 0 0 89 -2,-0.4 25,-2.5 -19,-0.2 2,-0.5 -0.582 27.6-119.5 -77.8 149.7 27.5 63.5 -16.6 71 85 A V E -O 94 0C 36 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.806 26.0-177.1 -93.1 128.4 25.8 60.4 -15.5 72 86 A E E S+ 0 0 114 21,-2.7 2,-0.4 -2,-0.5 22,-0.2 0.856 70.8 16.0 -88.2 -43.3 26.3 57.3 -17.7 73 87 A V E -O 93 0C 60 20,-1.7 20,-2.8 2,-0.0 2,-0.5 -0.999 59.9-155.1-141.3 131.7 24.1 54.8 -15.9 74 88 A V E -O 92 0C 72 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.957 9.5-170.2-105.5 124.0 21.4 55.1 -13.3 75 89 A I E -O 91 0C 40 16,-2.9 16,-2.7 -2,-0.5 2,-0.3 -0.909 9.6-178.9-117.7 100.8 20.9 52.0 -11.1 76 90 A K E -O 90 0C 79 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.777 38.9-100.6 -99.6 138.8 17.7 52.5 -9.1 77 91 A H > - 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