==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-01 1IOE . COMPND 2 MOLECULE: COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.SHIROMIZU,T.MATSUSUE . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.2 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 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 2 0.7 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 . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.0 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 1 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 . 4 3 2 4 4 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 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,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 112.6 14.0 32.0 10.4 2 17 A V B -A 179 0A 10 177,-2.7 177,-0.7 178,-0.1 2,-0.2 -0.804 360.0 -23.5 -90.6 120.0 12.1 34.4 8.2 3 18 A G S S+ 0 0 30 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.516 93.5 112.7 76.6-150.3 12.7 38.0 9.5 4 19 A G - 0 0 19 -2,-0.2 142,-0.2 140,-0.1 -1,-0.1 0.050 67.7 -77.3 70.7 172.0 13.7 38.2 13.1 5 20 A Q E -B 145 0B 137 140,-1.6 140,-0.9 1,-0.1 2,-0.4 -0.000 44.1 -92.8 -93.7-161.1 17.1 39.3 14.4 6 21 A E E -B 144 0B 66 138,-0.2 2,-0.9 -2,-0.0 138,-0.3 -0.954 38.1-109.2-120.2 136.1 20.6 37.7 14.6 7 22 A a - 0 0 2 136,-3.1 136,-0.2 -2,-0.4 3,-0.1 -0.537 37.8-149.7 -68.9 104.7 21.8 35.8 17.7 8 23 A K > - 0 0 107 -2,-0.9 3,-2.8 1,-0.2 4,-0.5 -0.286 43.5 -60.4 -70.6 160.4 24.5 38.1 19.2 9 24 A D T 3 S+ 0 0 69 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.131 125.2 3.0 -46.9 122.9 27.3 36.5 21.1 10 25 A G T 3 S+ 0 0 1 -3,-0.1 276,-0.5 277,-0.1 -1,-0.3 0.333 102.1 106.6 82.8 -5.9 26.0 34.6 24.1 11 26 A E S < S+ 0 0 56 -3,-2.8 -2,-0.1 1,-0.2 3,-0.1 0.846 86.5 27.7 -75.0 -38.6 22.3 35.1 23.3 12 27 A a S > S+ 0 0 15 -4,-0.5 3,-1.2 1,-0.1 -1,-0.2 -0.476 73.0 152.3-122.9 61.4 21.3 31.7 22.0 13 28 A P T 3 + 0 0 1 0, 0.0 92,-1.5 0, 0.0 42,-0.1 0.610 65.8 59.7 -67.2 -15.0 23.7 29.5 23.9 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.1 -3,-0.1 93,-0.2 0.525 75.6 119.7 -92.7 -6.1 21.5 26.4 23.9 15 30 A Q E < -J 30 0C 10 -3,-1.2 40,-0.6 15,-0.2 2,-0.3 -0.310 41.0-172.4 -61.1 137.7 21.1 26.1 20.2 16 31 A A E -JK 29 54C 0 13,-1.4 13,-1.6 38,-0.1 2,-0.4 -0.898 9.0-152.5-127.7 156.9 22.4 22.8 18.7 17 32 A L E -JK 28 53C 4 36,-2.1 36,-2.3 -2,-0.3 2,-0.3 -0.924 7.2-145.3-139.6 112.7 22.7 22.0 15.0 18 33 A L E -JK 27 52C 0 9,-1.1 8,-1.6 -2,-0.4 9,-1.1 -0.580 22.8-166.2 -74.7 135.3 22.6 18.5 13.5 19 34 A I E -JK 25 51C 3 32,-2.5 32,-2.7 -2,-0.3 6,-0.2 -0.971 10.9-136.5-127.3 140.6 24.9 18.1 10.5 20 35 A N E > - K 0 50C 14 4,-2.4 3,-2.4 -2,-0.4 30,-0.2 -0.313 39.9 -92.2 -86.2 174.1 25.1 15.3 7.9 21 36 A E T 3 S+ 0 0 84 28,-0.9 29,-0.1 1,-0.3 -1,-0.1 0.872 129.0 65.5 -53.5 -37.2 28.2 13.7 6.5 22 37 A E T 3 S- 0 0 117 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.359 118.7-120.3 -67.3 10.3 28.2 16.3 3.9 23 38 A N < + 0 0 119 -3,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.489 67.3 145.2 62.1 3.9 28.8 18.5 6.9 24 39 A E - 0 0 107 -5,-0.1 -4,-2.4 1,-0.1 2,-0.6 -0.408 52.6-125.5 -75.2 146.7 25.6 20.3 6.0 25 40 A G E +J 19 0C 16 -6,-0.2 -6,-0.2 1,-0.2 114,-0.1 -0.827 41.2 154.8 -93.3 121.6 23.2 21.7 8.7 26 41 A F E + 0 0 32 -8,-1.6 2,-0.3 -2,-0.6 159,-0.3 0.583 60.4 18.5-119.4 -21.0 19.7 20.3 8.2 27 42 A b E -J 18 0C 3 -9,-1.1 -9,-1.1 157,-0.1 -1,-0.2 -0.909 64.7-126.3-145.5 173.5 18.1 20.5 11.6 28 43 A G E -J 17 0C 2 157,-4.3 12,-0.3 -2,-0.3 2,-0.3 -0.537 17.9-167.5-115.7-177.9 18.4 22.1 15.0 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-1.4 -2,-0.2 2,-0.4 -0.949 18.9-125.7-159.0 176.9 18.5 21.1 18.6 30 45 A T E -JL 15 38C 0 8,-0.5 8,-2.5 -2,-0.3 2,-0.8 -0.994 23.0-131.8-136.6 126.6 18.4 22.1 22.3 31 46 A I E + L 0 37C 0 -17,-2.1 76,-2.6 -2,-0.4 6,-0.2 -0.707 28.1 172.1 -80.3 111.6 21.1 21.4 24.8 32 47 A L - 0 0 5 4,-2.1 2,-0.3 -2,-0.8 -1,-0.2 0.644 69.1 -27.7 -92.0 -17.5 19.3 20.0 27.8 33 48 A S S S- 0 0 32 3,-1.1 -1,-0.2 -3,-0.1 74,-0.1 -0.951 81.8 -70.1-174.7-174.6 22.6 19.1 29.5 34 49 A E S S+ 0 0 97 -2,-0.3 64,-3.7 1,-0.2 62,-0.1 0.654 131.5 27.6 -70.1 -13.5 26.2 18.2 28.8 35 50 A F S S+ 0 0 45 62,-0.2 59,-3.6 1,-0.1 2,-0.4 0.540 109.9 67.9-124.2 -13.5 25.1 14.9 27.5 36 51 A Y E - M 0 93C 15 57,-0.3 -4,-2.1 62,-0.1 -3,-1.1 -0.938 50.8-166.8-122.4 138.3 21.6 15.1 26.1 37 52 A I E -LM 31 92C 0 55,-3.3 55,-3.1 -2,-0.4 2,-0.6 -0.926 13.4-143.9-120.0 143.1 20.0 16.9 23.1 38 53 A L E +LM 30 91C 0 -8,-2.5 -8,-0.5 -2,-0.4 53,-0.2 -0.911 34.3 154.6-108.7 111.9 16.3 17.6 22.4 39 54 A T E - M 0 90C 0 51,-3.1 51,-2.5 -2,-0.6 2,-0.2 -0.630 43.4 -85.5-125.9-176.0 15.3 17.4 18.7 40 55 A A - 0 0 0 -12,-0.3 49,-0.1 49,-0.2 -1,-0.1 -0.489 29.7-129.3 -86.0 162.0 12.3 16.7 16.5 41 56 A A S > S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.822 107.6 53.6 -82.3 -32.8 11.3 13.2 15.5 42 57 A H G >> S+ 0 0 10 1,-0.3 4,-1.0 2,-0.1 3,-0.9 0.720 94.0 70.8 -75.1 -17.4 11.1 13.9 11.8 43 58 A b G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.617 87.5 69.6 -70.5 -9.3 14.7 15.3 11.9 44 59 A L G <4 S+ 0 0 31 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.124 96.5 50.0-100.0 36.2 15.6 11.7 12.4 45 60 A Y T <4 S+ 0 0 89 -3,-0.9 2,-3.2 1,-0.0 -2,-0.2 0.502 85.9 80.2-130.2 -53.9 14.7 10.8 8.8 46 61 A Q S < S+ 0 0 103 -4,-1.0 2,-0.3 -20,-0.1 -20,-0.0 -0.286 98.9 27.1 -62.5 65.0 16.4 13.4 6.6 47 61AA A - 0 0 47 -2,-3.2 3,-0.1 -3,-0.1 -27,-0.0 -0.883 60.7-133.7 160.3 171.2 19.8 11.7 6.8 48 62 A K S S+ 0 0 186 1,-0.5 2,-0.4 -2,-0.3 -1,-0.1 0.702 93.7 4.5-110.6 -65.2 21.8 8.5 7.1 49 63 A R S S+ 0 0 143 2,-0.0 -28,-0.9 0, 0.0 -1,-0.5 -0.960 74.9 173.5-125.3 141.8 24.5 9.4 9.6 50 64 A F E -K 20 0C 33 -2,-0.4 21,-0.3 -30,-0.2 -30,-0.2 -0.998 19.7-147.5-151.5 153.0 24.8 12.8 11.4 51 65 A K E -K 19 0C 45 -32,-2.7 -32,-2.5 -2,-0.3 2,-0.5 -0.593 21.6-122.9-109.9 172.5 26.7 14.7 14.1 52 66 A V E -KN 18 69C 0 17,-2.4 17,-2.6 -34,-0.2 2,-0.4 -0.985 25.5-160.8-121.6 129.1 25.6 17.4 16.5 53 67 A R E -KN 17 68C 36 -36,-2.3 -36,-2.1 -2,-0.5 2,-0.3 -0.875 8.2-176.1-114.1 144.8 27.3 20.8 16.6 54 68 A V E +KN 16 67C 1 13,-1.9 13,-0.7 -2,-0.4 -38,-0.1 -0.956 60.0 32.8-137.4 155.1 27.4 23.5 19.2 55 69 A G S S+ 0 0 7 -40,-0.6 10,-0.2 48,-0.4 2,-0.2 0.321 79.2 137.2 87.3 -10.7 28.8 27.0 19.7 56 70 A D + 0 0 16 11,-0.2 -1,-0.3 1,-0.2 3,-0.1 -0.472 16.0 155.7 -72.1 137.5 28.4 27.6 16.0 57 71 A R S S+ 0 0 68 1,-0.2 86,-1.7 4,-0.2 2,-0.3 0.409 72.8 39.3-134.4 -14.6 26.9 31.1 15.1 58 72 A N B > S-P 142 0D 4 3,-0.2 2,-2.4 84,-0.2 3,-1.4 -0.875 73.9-145.1-144.3 104.7 28.2 31.4 11.6 59 73 A T T 3 S+ 0 0 45 82,-3.0 83,-0.1 -2,-0.3 -34,-0.1 -0.154 93.8 31.5 -67.7 44.7 28.2 28.3 9.4 60 74 A E T 3 S+ 0 0 101 -2,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.240 99.8 80.1 174.3 30.6 31.5 29.2 7.5 61 75 A Q S < S- 0 0 94 -3,-1.4 2,-1.0 0, 0.0 -4,-0.2 -0.834 76.7-123.3-154.3 108.2 33.8 31.1 9.8 62 76 A E + 0 0 161 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.320 30.4 176.6 -54.1 92.2 36.0 29.4 12.5 63 77 A E - 0 0 67 -2,-1.0 2,-0.6 -5,-0.2 -1,-0.2 0.351 40.2-130.9 -81.1 6.3 34.7 31.3 15.5 64 78 A G S S+ 0 0 53 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.153 92.8 81.9 66.6 -22.5 37.1 29.0 17.4 65 79 A G + 0 0 23 -2,-0.6 -1,-0.2 -10,-0.2 36,-0.1 0.248 65.8 107.0 -98.2 14.6 34.3 28.1 19.9 66 80 A E + 0 0 35 -11,-0.1 2,-0.2 -13,-0.0 -11,-0.2 -0.258 43.0 179.7 -82.9 177.7 32.6 25.5 17.8 67 81 A A E -N 54 0C 30 -13,-0.7 -13,-1.9 -2,-0.0 2,-0.4 -0.773 19.6-137.6-179.5 132.2 32.7 21.7 18.5 68 82 A V E -N 53 0C 73 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.2 -0.801 16.8-171.1-102.5 140.1 31.3 18.5 17.1 69 83 A H E -N 52 0C 11 -17,-2.6 -17,-2.4 -2,-0.4 2,-0.1 -0.975 17.0-132.3-127.3 140.4 29.9 15.6 19.1 70 84 A E - 0 0 83 -2,-0.4 25,-1.9 -19,-0.2 2,-0.7 -0.404 25.5-108.9 -86.4 170.1 28.9 12.2 17.9 71 85 A V E -O 94 0C 40 -21,-0.3 23,-0.2 23,-0.2 3,-0.1 -0.877 28.0-178.8-105.2 110.0 25.6 10.5 18.7 72 86 A E E S- 0 0 99 21,-1.6 2,-0.3 -2,-0.7 -1,-0.2 0.965 73.5 -3.1 -69.8 -52.9 25.9 7.5 21.1 73 87 A V E -O 93 0C 56 20,-1.4 20,-2.0 2,-0.0 2,-0.5 -0.987 61.1-145.4-141.6 151.6 22.2 6.7 21.1 74 88 A V E -O 92 0C 75 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.975 6.6-161.6-122.1 122.7 19.1 8.1 19.6 75 89 A I E -O 91 0C 17 16,-1.9 16,-2.4 -2,-0.5 2,-0.2 -0.816 15.8-178.9-106.2 92.6 15.8 8.0 21.4 76 90 A K E -O 90 0C 81 -2,-0.8 2,-0.3 14,-0.2 14,-0.2 -0.583 34.5 -99.3 -88.2 152.5 12.9 8.6 18.9 77 91 A H > - 0 0 14 12,-1.1 3,-0.9 10,-0.2 -1,-0.1 -0.568 21.3-148.0 -79.4 133.4 9.3 8.6 20.0 78 92 A N T 3 S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.843 94.5 54.3 -65.5 -42.0 7.3 5.5 19.5 79 93 A R T 3 S+ 0 0 160 8,-0.0 -1,-0.2 2,-0.0 7,-0.1 0.503 88.6 115.1 -76.1 -0.5 3.9 7.0 18.9 80 94 A F < + 0 0 9 -3,-0.9 2,-0.3 7,-0.2 7,-0.2 -0.346 33.4 159.2 -74.6 148.9 5.3 9.2 16.1 81 95 A T >> - 0 0 42 5,-0.7 4,-2.2 -2,-0.1 3,-0.7 -0.958 44.6-127.5-162.4 152.8 4.4 8.9 12.4 82 96 A K T 34 S+ 0 0 92 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.725 100.4 75.5 -77.0 -23.6 4.7 11.2 9.4 83 97 A E T 34 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.679 122.3 5.1 -63.8 -18.8 1.0 10.8 8.6 84 98 A T T <4 S- 0 0 73 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.521 85.0-136.2-134.8 -27.2 0.1 13.1 11.5 85 99 A Y >< + 0 0 70 -4,-2.2 3,-0.6 1,-0.3 -3,-0.1 0.560 51.4 153.9 74.1 9.4 3.4 14.4 12.8 86 100 A D T 3 + 0 0 21 1,-0.2 -5,-0.7 -5,-0.2 -1,-0.3 -0.401 59.0 25.3 -69.4 146.7 1.9 13.8 16.3 87 101 A F T 3 S+ 0 0 18 1,-0.2 2,-1.5 -7,-0.2 -1,-0.2 0.873 76.2 178.2 66.4 39.2 4.5 13.1 19.0 88 102 A D < + 0 0 2 -3,-0.6 2,-0.3 79,-0.1 -1,-0.2 -0.618 35.0 110.8 -78.1 93.7 7.2 15.0 17.1 89 103 A I + 0 0 0 -2,-1.5 -12,-1.1 -3,-0.2 2,-0.3 -0.938 34.1 169.6-165.8 140.4 10.0 14.6 19.7 90 104 A A E -MO 39 76C 0 -51,-2.5 -51,-3.1 -2,-0.3 2,-0.5 -0.993 19.7-141.3-155.1 148.6 13.3 12.8 20.1 91 105 A V E -MO 38 75C 0 -16,-2.4 -16,-1.9 -2,-0.3 2,-0.5 -0.948 10.4-153.9-124.3 124.1 16.3 12.9 22.6 92 106 A L E -MO 37 74C 0 -55,-3.1 -55,-3.3 -2,-0.5 2,-0.6 -0.769 1.6-156.8 -96.1 124.6 20.0 12.6 21.7 93 107 A R E -MO 36 73C 55 -20,-2.0 -21,-1.6 -2,-0.5 -20,-1.4 -0.884 24.0-132.5-100.1 119.3 22.6 11.2 24.1 94 108 A L E - 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