==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-06 2CJI . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.S.WATSON,M.CAMPBELL,C.CHAN,M.A.CONVERY,J.N.HAMBLIN, . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 60.1 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 . 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 . 18 6.3 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 . 19 6.6 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 0 1 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 . 6 3 2 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 . 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 1 0, 0.0 2,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 118.0 10.7 14.1 31.9 2 17 A V B -A 179 0A 15 177,-3.4 177,-1.4 142,-0.0 2,-0.2 -0.805 360.0 -18.8 -89.1 122.6 8.5 12.2 34.4 3 18 A G S S+ 0 0 30 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.514 93.7 95.0 83.4-151.2 9.8 12.7 37.9 4 19 A G S S- 0 0 29 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.208 73.0 -72.4 61.8-143.9 13.4 13.9 38.6 5 20 A Q E -B 145 0B 133 140,-2.9 140,-2.9 3,-0.0 2,-0.2 -0.922 39.6 -85.0-148.2 165.8 14.2 17.6 39.2 6 21 A E E -B 144 0B 70 -2,-0.3 2,-0.5 138,-0.2 138,-0.3 -0.512 46.7-113.6 -69.9 140.5 14.6 21.1 37.7 7 22 A a - 0 0 1 136,-2.3 136,-0.2 -2,-0.2 3,-0.1 -0.703 37.9-141.3 -72.1 127.7 18.0 21.9 36.1 8 23 A K > - 0 0 106 -2,-0.5 3,-2.4 1,-0.2 4,-0.4 -0.318 43.4 -53.3 -85.9 170.8 19.4 24.6 38.4 9 24 A D T 3 S- 0 0 92 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.154 125.8 -3.2 -49.9 121.1 21.4 27.6 37.0 10 25 A G T 3 S+ 0 0 1 -3,-0.1 275,-1.5 1,-0.1 -1,-0.3 0.460 101.4 110.8 79.2 0.5 24.4 26.3 34.9 11 26 A E S < S+ 0 0 61 -3,-2.4 -2,-0.1 1,-0.2 273,-0.1 0.656 84.1 28.0 -85.7 -21.1 23.7 22.5 35.5 12 27 A a S > S+ 0 0 10 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.319 70.0 151.0-136.2 56.7 22.5 21.4 32.0 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.9 0, 0.0 42,-0.3 0.582 66.5 62.5 -68.8 -17.0 24.3 23.9 29.7 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.4 92,-0.1 2,-0.3 0.353 74.9 118.0 -88.8 -2.5 24.5 21.5 26.7 15 30 A Q E < -J 30 0C 10 -3,-1.7 40,-0.5 15,-0.2 2,-0.3 -0.540 41.5-175.0 -66.3 128.8 20.7 21.2 26.3 16 31 A A E -JK 29 54C 1 13,-2.5 13,-1.7 -2,-0.3 2,-0.4 -0.914 11.6-149.6-117.7 154.4 19.3 22.5 23.0 17 32 A L E -JK 28 53C 9 36,-2.6 36,-3.1 -2,-0.3 2,-0.5 -0.992 8.6-141.7-124.3 125.1 15.5 22.7 22.1 18 33 A L E -JK 27 52C 0 9,-3.1 8,-2.0 -2,-0.4 9,-0.9 -0.762 26.6-160.8 -84.6 125.9 14.2 22.3 18.5 19 34 A I E -JK 25 51C 2 32,-3.2 32,-2.0 -2,-0.5 6,-0.2 -0.910 6.1-138.6-116.0 138.9 11.4 24.8 18.0 20 35 A N > - 0 0 52 4,-2.8 3,-2.8 -2,-0.4 30,-0.1 -0.184 43.3 -80.6 -81.4 178.8 8.6 24.9 15.4 21 36 A E T 3 S+ 0 0 110 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.780 132.0 52.8 -48.0 -36.9 7.1 27.8 13.4 22 37 A E T 3 S- 0 0 82 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.266 121.4-107.8 -86.9 12.8 5.0 28.8 16.5 23 38 A N S < S+ 0 0 115 -3,-2.8 2,-0.4 1,-0.2 -2,-0.2 0.856 75.3 138.8 62.2 36.8 8.1 28.9 18.7 24 39 A E - 0 0 41 -4,-0.1 -4,-2.8 2,-0.0 -1,-0.2 -0.951 54.9-120.3-114.2 133.1 7.1 25.6 20.5 25 40 A G E +J 19 0C 16 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.462 36.0 163.9 -69.0 137.2 9.6 22.9 21.4 26 41 A F E + 0 0 31 -8,-2.0 2,-0.3 1,-0.4 157,-0.2 0.357 66.4 11.2-129.6 -5.7 8.9 19.5 19.8 27 42 A b E -J 18 0C 2 -9,-0.9 -9,-3.1 157,-0.1 -1,-0.4 -0.969 67.8-124.9-166.7 159.3 12.3 17.7 20.4 28 43 A G E -J 17 0C 2 157,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.461 20.0-169.9-103.6-179.3 15.6 18.2 22.3 29 44 A G E -J 16 0C 0 -13,-1.7 -13,-2.5 -2,-0.2 2,-0.4 -0.948 19.9-121.7-160.2 168.0 19.3 18.2 21.2 30 45 A T E -JL 15 38C 0 8,-2.2 8,-3.3 -2,-0.3 2,-0.5 -0.994 24.3-126.9-122.6 128.1 22.8 18.2 22.6 31 46 A I E + L 0 37C 0 -17,-2.4 76,-2.2 -2,-0.4 6,-0.2 -0.632 31.4 170.8 -72.2 119.6 25.4 21.0 21.9 32 47 A L - 0 0 14 4,-2.9 2,-0.3 -2,-0.5 5,-0.2 0.668 63.9 -25.8-102.8 -23.5 28.6 19.3 20.6 33 48 A S S S- 0 0 32 3,-1.2 -1,-0.3 72,-0.1 65,-0.1 -0.931 82.8 -70.0-175.2-179.6 30.5 22.5 19.6 34 49 A E S S+ 0 0 100 -2,-0.3 64,-2.6 1,-0.2 62,-0.0 0.808 132.5 28.4 -64.5 -26.3 29.9 26.1 18.5 35 50 A F S S+ 0 0 45 62,-0.2 59,-2.8 1,-0.1 2,-0.4 0.622 109.9 76.5-106.1 -15.3 28.5 24.9 15.1 36 51 A Y E - M 0 93C 10 57,-0.2 -4,-2.9 62,-0.1 -3,-1.2 -0.888 44.9-174.8-118.4 136.1 26.9 21.4 15.8 37 52 A I E -LM 31 92C 0 55,-2.2 55,-2.5 -2,-0.4 2,-0.5 -0.942 17.2-145.7-114.2 133.1 23.8 20.0 17.5 38 53 A L E +LM 30 91C 0 -8,-3.3 -8,-2.2 -2,-0.4 2,-0.2 -0.838 35.5 146.5 -94.5 131.0 23.2 16.2 18.1 39 54 A T E - M 0 90C 0 51,-2.6 51,-2.3 -2,-0.5 2,-0.4 -0.837 47.9 -75.7-146.8-170.4 19.6 15.1 17.8 40 55 A A > - 0 0 0 -12,-0.4 3,-1.2 49,-0.3 4,-0.4 -0.791 26.6-137.6 -99.0 138.1 17.4 12.1 16.8 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.884 104.3 61.2 -55.2 -42.5 16.7 11.3 13.1 42 57 A H G > S+ 0 0 21 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.752 92.7 66.5 -60.2 -23.0 13.0 10.7 13.9 43 58 A b G X S+ 0 0 0 -3,-1.2 3,-1.6 1,-0.2 -1,-0.3 0.724 83.3 74.7 -70.5 -21.1 12.7 14.3 15.1 44 59 A L G < S+ 0 0 27 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 0.201 93.2 53.3 -78.3 14.3 13.2 15.6 11.5 45 60 A Y G < S+ 0 0 150 -3,-1.0 -1,-0.3 1,-0.0 -2,-0.2 0.332 87.3 81.3-123.5 -1.5 9.8 14.5 10.5 46 61 A Q S < S+ 0 0 73 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.262 104.2 11.9 -89.8 9.0 8.0 16.4 13.4 47 61AA A - 0 0 30 1,-0.1 -1,-0.2 -27,-0.1 3,-0.1 -0.874 56.4-139.2-179.9 148.5 8.1 19.8 11.5 48 62 A K S S+ 0 0 86 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.944 95.8 22.9 -79.3 -56.4 8.8 21.4 8.1 49 63 A R S S+ 0 0 64 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.959 77.8 162.2-117.0 130.6 10.7 24.5 9.3 50 64 A F - 0 0 32 -2,-0.5 21,-0.5 -30,-0.1 2,-0.3 -0.976 20.6-158.9-145.3 160.4 12.5 24.6 12.6 51 65 A K E -K 19 0C 89 -32,-2.0 -32,-3.2 -2,-0.3 2,-0.5 -0.822 23.4-115.7-128.1 170.2 15.2 26.4 14.6 52 66 A V E -KN 18 69C 0 17,-2.9 17,-2.8 -2,-0.3 2,-0.4 -0.935 21.5-163.2-114.9 126.5 17.4 25.6 17.6 53 67 A R E +KN 17 68C 36 -36,-3.1 -36,-2.6 -2,-0.5 2,-0.3 -0.905 11.1 178.6-107.7 137.9 17.2 27.4 20.9 54 68 A V E +KN 16 67C 3 13,-2.2 13,-1.8 -2,-0.4 -38,-0.1 -0.837 55.9 39.5-128.6 165.0 19.9 27.2 23.6 55 69 A G S S+ 0 0 5 48,-0.6 2,-0.4 -40,-0.5 10,-0.3 0.726 80.6 132.4 69.6 24.9 20.5 28.8 27.1 56 70 A D + 0 0 15 -41,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.901 20.9 155.8-113.7 134.5 16.8 28.4 28.2 57 71 A R S S+ 0 0 69 -2,-0.4 86,-2.3 1,-0.3 2,-0.4 0.539 75.8 39.0-121.0 -21.1 15.5 26.9 31.5 58 72 A N B > -P 142 0D 17 3,-0.2 3,-1.4 84,-0.2 -1,-0.3 -0.930 61.0-163.1-134.7 104.8 12.0 28.5 31.8 59 73 A T T 3 S+ 0 0 59 82,-2.5 83,-0.1 -2,-0.4 3,-0.1 0.418 87.6 63.0 -69.9 4.6 10.0 28.9 28.6 60 74 A E T 3 S+ 0 0 143 81,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.406 104.2 37.3-108.1 -2.6 7.7 31.4 30.3 61 75 A Q S < S- 0 0 141 -3,-1.4 2,-0.8 0, 0.0 -3,-0.2 -0.975 79.6-110.3-147.2 157.2 10.2 34.2 31.1 62 76 A E + 0 0 99 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.832 31.3 175.5 -93.6 107.8 13.3 36.0 29.5 63 77 A E - 0 0 85 -2,-0.8 -1,-0.1 -5,-0.2 -7,-0.0 0.637 45.3-119.3 -86.2 -18.0 16.3 35.0 31.6 64 78 A G S S+ 0 0 60 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.352 96.6 83.6 96.2 -4.6 18.8 36.8 29.3 65 79 A G + 0 0 9 -10,-0.3 -9,-0.1 36,-0.0 -11,-0.1 0.567 62.1 116.0-102.2 -9.5 20.8 33.7 28.3 66 80 A E + 0 0 56 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.193 36.7 177.5 -65.5 145.7 18.6 32.5 25.4 67 81 A A E -N 54 0C 35 -13,-1.8 -13,-2.2 2,-0.0 2,-0.4 -0.968 17.8-148.3-148.9 133.8 19.7 32.4 21.8 68 82 A V E -N 53 0C 80 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.883 17.8-168.1-102.7 138.8 17.9 31.2 18.7 69 83 A H E -N 52 0C 12 -17,-2.8 -17,-2.9 -2,-0.4 2,-0.2 -0.979 14.7-133.0-128.3 138.7 19.9 29.7 15.8 70 84 A E - 0 0 89 -2,-0.4 25,-2.9 -19,-0.2 2,-0.6 -0.595 25.0-118.0 -86.0 149.2 19.0 28.8 12.3 71 85 A V E +O 94 0C 28 -21,-0.5 23,-0.2 23,-0.3 3,-0.1 -0.787 26.2 179.3 -94.3 125.3 20.0 25.5 10.7 72 86 A E E S+ 0 0 103 21,-2.3 2,-0.3 -2,-0.6 22,-0.2 0.835 73.3 15.0 -86.3 -38.4 22.3 25.5 7.7 73 87 A V E -O 93 0C 57 20,-1.8 20,-2.2 2,-0.0 2,-0.5 -0.999 57.3-152.8-145.1 135.5 22.4 21.7 7.2 74 88 A V E -O 92 0C 71 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.946 14.1-169.0-103.8 120.2 20.5 18.7 8.4 75 89 A I E -O 91 0C 38 16,-2.9 16,-2.5 -2,-0.5 2,-0.3 -0.867 10.4-179.1-113.2 96.9 22.7 15.5 8.4 76 90 A K E -O 90 0C 75 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.684 38.1-101.3 -95.2 144.0 20.4 12.5 9.0 77 91 A H > - 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