==== 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 2XBY . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,J.BENZ,D.SCHLATTER,S.THOMI,W.HAAP . 277 3 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 59.6 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 . 80 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.6 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 . 3 1.1 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 4 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,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 113.1 20.8 71.5 7.0 2 17 A V B -A 179 0A 5 177,-2.1 177,-1.8 142,-0.1 2,-0.2 -0.753 360.0 -14.7 -85.0 122.9 18.8 73.3 9.8 3 18 A G S S+ 0 0 27 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.544 96.9 94.4 83.4-151.7 21.3 74.2 12.6 4 19 A G S S- 0 0 28 -2,-0.2 2,-0.2 143,-0.1 142,-0.2 -0.176 73.5 -89.6 62.5-159.2 24.8 72.7 12.6 5 20 A Q E -B 145 0B 126 140,-2.0 140,-3.0 -3,-0.1 2,-0.3 -0.825 36.9 -77.9-141.8-179.2 27.7 74.6 10.9 6 21 A E E -B 144 0B 99 138,-0.3 138,-0.3 -2,-0.2 2,-0.3 -0.614 48.6-114.0 -83.3 141.4 29.6 75.2 7.7 7 22 A a - 0 0 2 136,-2.7 2,-0.2 -2,-0.3 136,-0.1 -0.589 31.1-134.9 -73.3 138.5 32.0 72.4 6.7 8 23 A K > - 0 0 125 -2,-0.3 3,-2.3 1,-0.2 4,-0.4 -0.499 45.7 -61.0 -87.9 165.3 35.6 73.8 6.8 9 24 A D T 3 S+ 0 0 70 1,-0.3 -1,-0.2 -2,-0.2 270,-0.1 -0.149 123.7 4.2 -48.3 127.0 38.0 73.0 3.9 10 25 A G T 3 S+ 0 0 1 -3,-0.1 267,-1.5 2,-0.1 -1,-0.3 0.431 101.9 107.5 76.2 -0.2 38.7 69.3 3.5 11 26 A E S < S+ 0 0 35 -3,-2.3 -2,-0.1 1,-0.2 3,-0.1 0.787 85.4 28.2 -80.5 -31.7 36.2 68.4 6.2 12 27 A a S > S+ 0 0 9 -4,-0.4 3,-1.1 1,-0.1 -1,-0.2 -0.502 73.2 150.6-130.3 60.9 33.3 67.0 4.0 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.3 0, 0.0 42,-0.2 0.694 65.7 60.4 -64.8 -27.7 35.3 65.6 0.9 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.3 -3,-0.1 2,-0.2 0.319 79.4 117.3 -86.5 5.6 33.0 62.8 -0.0 15 30 A Q E < -J 30 0C 11 -3,-1.1 40,-0.6 15,-0.2 2,-0.3 -0.552 40.5-179.2 -76.8 138.2 30.1 65.2 -0.6 16 31 A A E -JK 29 54C 1 13,-1.9 13,-1.2 -2,-0.2 2,-0.4 -0.927 14.3-146.0-131.5 159.1 28.6 65.5 -4.1 17 32 A L E -JK 28 53C 5 36,-2.2 36,-3.0 -2,-0.3 2,-0.5 -0.985 5.5-144.7-132.6 126.1 25.8 67.6 -5.5 18 33 A L E -JK 27 52C 1 9,-2.4 8,-2.1 -2,-0.4 9,-0.8 -0.765 21.7-163.0 -88.4 128.0 23.2 66.8 -8.2 19 34 A I E -JK 25 51C 5 32,-2.4 32,-1.8 -2,-0.5 6,-0.2 -0.920 5.5-140.6-116.7 138.6 22.3 69.8 -10.4 20 35 A N > - 0 0 34 4,-2.7 3,-2.1 -2,-0.4 30,-0.1 -0.024 42.0 -77.6 -84.3-171.0 19.3 70.2 -12.7 21 36 A E T 3 S+ 0 0 97 28,-0.4 29,-0.1 1,-0.3 -1,-0.1 0.634 132.3 55.6 -62.1 -17.7 18.8 71.7 -16.1 22 37 A E T 3 S- 0 0 146 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.252 119.4-114.3 -95.6 5.9 18.8 75.2 -14.5 23 38 A N S < S+ 0 0 120 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.707 73.2 139.3 65.5 22.7 22.2 74.3 -13.0 24 39 A E - 0 0 109 1,-0.0 -4,-2.7 2,-0.0 -1,-0.2 -0.789 56.3-114.9-101.5 138.4 20.6 74.4 -9.5 25 40 A G E +J 19 0C 16 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.429 40.0 160.2 -69.5 140.0 21.3 71.9 -6.7 26 41 A F E + 0 0 16 -8,-2.1 157,-0.3 1,-0.5 2,-0.3 0.482 61.3 8.7-138.4 -7.7 18.4 69.7 -5.7 27 42 A b E -J 18 0C 0 -9,-0.8 -9,-2.4 157,-0.1 -1,-0.5 -0.964 66.1-122.9-165.2 161.5 19.9 66.6 -3.9 28 43 A G E -J 17 0C 3 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.358 19.2-167.7-102.1-173.6 23.2 65.3 -2.5 29 44 A G E -J 16 0C 0 -13,-1.2 -13,-1.9 10,-0.1 2,-0.4 -0.958 19.2-120.3-164.1 165.3 25.3 62.2 -3.2 30 45 A T E -JL 15 38C 0 8,-2.7 8,-3.0 -2,-0.3 2,-0.5 -0.977 23.1-125.2-122.1 131.7 28.3 60.4 -1.7 31 46 A I E + L 0 37C 0 -17,-2.3 76,-2.3 -2,-0.4 6,-0.2 -0.601 33.6 168.0 -74.7 122.5 31.5 59.7 -3.5 32 47 A L - 0 0 13 4,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.684 63.6 -23.1-106.2 -31.4 32.2 56.0 -3.3 33 48 A S S S- 0 0 11 3,-1.3 -1,-0.4 72,-0.1 65,-0.1 -0.924 82.4 -73.3-163.5-173.9 35.0 55.6 -5.9 34 49 A E S S+ 0 0 92 -2,-0.3 64,-2.5 1,-0.2 62,-0.0 0.792 132.2 29.7 -68.0 -22.1 36.4 57.4 -9.0 35 50 A F S S+ 0 0 45 62,-0.2 59,-2.8 1,-0.1 2,-0.4 0.598 109.6 75.4-110.1 -13.0 33.4 56.2 -11.0 36 51 A Y E - M 0 93C 11 57,-0.2 -4,-2.8 62,-0.1 -3,-1.3 -0.892 44.9-173.4-122.3 135.3 30.5 55.9 -8.5 37 52 A I E -LM 31 92C 0 55,-2.2 55,-2.6 -2,-0.4 2,-0.4 -0.923 17.7-145.7-112.5 135.2 28.2 58.2 -6.7 38 53 A L E +LM 30 91C 0 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.2 -0.870 35.0 147.6-100.6 131.1 25.7 56.9 -4.0 39 54 A T E - M 0 90C 0 51,-2.6 51,-2.3 -2,-0.4 2,-0.4 -0.819 47.4 -76.9-148.1-172.4 22.3 58.7 -3.8 40 55 A A >> - 0 0 0 -12,-0.4 3,-1.0 49,-0.3 4,-0.5 -0.798 28.3-135.8 -98.2 139.6 18.6 58.2 -3.0 41 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.2 4,-0.3 0.856 102.5 62.0 -58.1 -37.1 16.3 56.6 -5.5 42 57 A H G >4 S+ 0 0 10 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.745 92.6 64.8 -66.2 -20.9 13.6 59.3 -4.9 43 58 A b G X4 S+ 0 0 1 -3,-1.0 3,-0.8 1,-0.2 -1,-0.3 0.768 85.9 73.1 -68.5 -25.5 15.9 62.1 -6.2 44 59 A L G << S+ 0 0 29 -3,-1.4 3,-0.4 -4,-0.5 -1,-0.2 0.765 96.8 50.7 -62.5 -21.4 15.9 60.4 -9.6 45 60 A Y G < S+ 0 0 103 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.720 90.9 76.9 -86.8 -25.0 12.3 61.7 -10.0 46 61 A Q S < S+ 0 0 78 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 0.289 99.2 32.2 -74.0 9.0 12.9 65.4 -9.1 47 61AA A - 0 0 22 -3,-0.4 3,-0.1 -4,-0.1 -1,-0.1 -0.917 66.7-134.3-164.4 136.2 14.5 66.5 -12.3 48 62 A K S S- 0 0 186 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.835 95.7 -1.2 -62.4 -30.3 14.2 65.6 -16.0 49 63 A R S S+ 0 0 161 -3,-0.1 -28,-0.4 2,-0.0 2,-0.3 -0.983 71.7 179.6-157.3 149.1 18.0 65.5 -16.3 50 64 A F - 0 0 32 -2,-0.3 21,-0.5 -30,-0.1 2,-0.3 -0.989 14.9-155.3-153.7 160.6 21.0 66.1 -14.0 51 65 A K E -K 19 0C 81 -32,-1.8 -32,-2.4 -2,-0.3 2,-0.5 -0.790 27.3-113.9-126.0 172.2 24.8 66.2 -13.7 52 66 A V E -KN 18 69C 0 17,-2.6 17,-2.8 -2,-0.3 2,-0.5 -0.924 20.4-162.5-115.7 131.1 27.0 65.7 -10.7 53 67 A R E -KN 17 68C 39 -36,-3.0 -36,-2.2 -2,-0.5 2,-0.3 -0.957 9.7-173.0-113.8 126.4 29.2 68.5 -9.2 54 68 A V E +KN 16 67C 0 13,-2.2 13,-1.7 -2,-0.5 -38,-0.1 -0.790 60.9 28.4-112.5 158.4 32.1 67.6 -6.9 55 69 A G S S+ 0 0 11 -40,-0.6 2,-0.3 48,-0.5 11,-0.1 0.506 78.1 137.1 74.9 7.0 34.4 69.8 -4.8 56 70 A D + 0 0 10 -3,-0.2 -1,-0.2 -41,-0.1 3,-0.1 -0.701 20.0 164.1 -92.5 138.3 32.0 72.8 -4.3 57 71 A R S S+ 0 0 61 -2,-0.3 86,-2.2 1,-0.3 2,-0.4 0.553 76.1 35.7-118.2 -23.5 31.7 74.6 -1.0 58 72 A N B > -P 142 0D 11 3,-0.3 3,-1.0 84,-0.2 -1,-0.3 -0.961 61.7-164.4-134.7 115.4 29.9 77.7 -2.1 59 73 A T T 3 S+ 0 0 58 82,-2.9 83,-0.1 -2,-0.4 -1,-0.1 0.618 88.2 60.4 -77.0 -10.9 27.4 77.5 -4.9 60 74 A E T 3 S+ 0 0 141 81,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.501 107.7 45.6 -91.4 -4.1 27.4 81.3 -5.5 61 75 A Q S < S- 0 0 121 -3,-1.0 2,-1.0 2,-0.0 -3,-0.3 -0.999 77.2-128.5-140.7 140.5 31.1 81.4 -6.4 62 76 A E + 0 0 186 -2,-0.3 2,-0.3 -6,-0.1 -3,-0.1 -0.757 37.4 177.1 -90.4 103.9 33.3 79.3 -8.6 63 77 A E > - 0 0 81 -2,-1.0 3,-1.5 -5,-0.3 -5,-0.1 -0.775 39.5 -82.2-107.1 151.7 36.3 78.3 -6.5 64 78 A G T 3 S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.101 111.1 42.3 -48.8 145.4 39.2 76.1 -7.5 65 79 A G T 3 S+ 0 0 29 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.118 78.6 125.9 103.1 -23.0 38.5 72.4 -7.2 66 80 A E < + 0 0 48 -3,-1.5 -1,-0.4 -11,-0.1 2,-0.3 -0.515 30.3 167.3 -73.1 139.2 35.0 72.4 -8.6 67 81 A A E -N 54 0C 31 -13,-1.7 -13,-2.2 -2,-0.2 2,-0.4 -0.988 26.0-136.3-152.7 144.6 34.3 70.0 -11.5 68 82 A V E -N 53 0C 90 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.828 17.0-166.3-106.4 139.6 31.2 68.7 -13.3 69 83 A H E -N 52 0C 16 -17,-2.8 -17,-2.6 -2,-0.4 2,-0.3 -0.983 15.0-135.2-128.9 138.5 30.6 65.1 -14.3 70 84 A E - 0 0 93 -2,-0.4 25,-2.6 -19,-0.2 2,-0.5 -0.644 26.7-120.0 -87.1 147.3 28.0 63.6 -16.7 71 85 A V E -O 94 0C 35 -21,-0.5 23,-0.3 -2,-0.3 3,-0.1 -0.742 26.0-176.9 -90.1 130.2 26.2 60.4 -15.5 72 86 A E E + 0 0 112 21,-3.4 2,-0.4 -2,-0.5 22,-0.2 0.884 69.2 16.3 -92.3 -43.6 26.6 57.4 -17.8 73 87 A V E -O 93 0C 62 20,-1.6 20,-2.5 2,-0.0 2,-0.6 -0.995 60.3-153.7-135.5 134.9 24.4 54.8 -16.0 74 88 A V E -O 92 0C 71 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.940 10.2-169.8-107.0 120.9 21.6 55.2 -13.4 75 89 A I E -O 91 0C 45 16,-2.9 16,-2.6 -2,-0.6 2,-0.3 -0.884 9.4-178.1-114.6 97.6 21.1 52.1 -11.3 76 90 A K E -O 90 0C 80 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.753 36.7-104.2 -94.9 138.4 17.9 52.5 -9.2 77 91 A H > - 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