==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-09 3KQE . COMPND 2 MOLECULE: FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SHERIFF . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 59.1 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 . 81 28.3 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 . 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 . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 5.6 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 1 2 0 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 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 . 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,-0.5 0, 0.0 179,-0.3 0.000 360.0 360.0 360.0 129.9 39.4 22.3 6.4 2 17 A V B -A 179 0A 17 177,-3.8 177,-1.0 142,-0.0 2,-0.2 -0.883 360.0 -16.9 -97.7 125.1 37.2 24.2 3.9 3 18 A G S S+ 0 0 27 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.483 94.8 103.8 77.4-149.0 38.7 23.8 0.4 4 19 A G S S- 0 0 17 -2,-0.2 2,-0.3 140,-0.1 142,-0.2 -0.295 71.3 -72.5 72.2-159.6 42.2 22.6 0.2 5 20 A Q E -B 145 0B 136 140,-2.6 140,-3.3 -2,-0.0 2,-0.1 -0.950 41.3 -95.3-136.1 157.3 43.4 19.1 -0.7 6 21 A E E -B 144 0B 62 -2,-0.3 2,-0.6 138,-0.3 138,-0.3 -0.404 43.4-109.7 -67.0 146.2 43.4 15.6 0.9 7 22 A a - 0 0 1 136,-2.9 136,-0.2 50,-0.2 3,-0.1 -0.736 39.5-148.3 -76.5 119.9 46.6 14.6 2.6 8 23 A K > - 0 0 107 -2,-0.6 3,-2.5 1,-0.2 4,-0.4 -0.392 43.9 -51.8 -83.2 166.2 48.1 11.9 0.3 9 24 A D T 3 S- 0 0 75 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.144 125.8 -3.5 -45.7 118.3 50.2 9.0 1.7 10 25 A G T 3 S+ 0 0 0 -3,-0.1 275,-1.8 2,-0.1 -1,-0.3 0.418 100.7 110.0 77.7 5.5 53.0 10.3 3.9 11 26 A E S < S+ 0 0 53 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.759 86.1 27.3 -81.8 -29.0 52.3 14.0 3.4 12 27 A a > + 0 0 6 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.458 69.9 150.5-128.9 55.9 51.0 15.0 6.9 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.3 0, 0.0 42,-0.3 0.702 67.4 62.9 -67.9 -20.2 52.7 12.4 9.2 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-2.6 92,-0.1 2,-0.3 0.410 76.5 118.9 -80.3 -5.1 52.7 14.8 12.2 15 30 A Q E < -J 30 0C 7 -3,-1.6 40,-0.6 15,-0.2 2,-0.3 -0.511 41.2-174.6 -71.2 132.9 48.9 15.0 12.4 16 31 A A E -JK 29 54C 1 13,-2.3 13,-1.4 -2,-0.3 2,-0.4 -0.853 11.2-149.2-119.9 154.0 47.3 13.7 15.6 17 32 A L E -JK 28 53C 2 36,-2.4 36,-3.3 -2,-0.3 2,-0.5 -0.995 8.0-141.5-130.9 124.2 43.5 13.3 16.1 18 33 A L E -JK 27 52C 0 9,-3.2 8,-2.6 -2,-0.4 9,-0.9 -0.739 24.6-165.8 -84.6 125.3 41.9 13.7 19.5 19 34 A I E -JK 25 51C 2 32,-2.4 32,-2.1 -2,-0.5 6,-0.2 -0.951 7.0-140.8-117.4 136.9 39.1 11.2 19.9 20 35 A N > - 0 0 25 4,-2.3 3,-2.1 -2,-0.4 30,-0.2 -0.130 40.7 -84.0 -83.7-176.1 36.3 11.1 22.4 21 36 A E T 3 S+ 0 0 142 28,-0.5 29,-0.1 1,-0.3 -1,-0.0 0.854 131.6 56.4 -55.1 -37.4 34.6 8.2 24.4 22 37 A E T 3 S- 0 0 142 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.303 119.1-114.7 -77.3 3.7 32.3 7.7 21.3 23 38 A N S < S+ 0 0 98 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.666 71.5 136.8 65.2 24.2 35.6 7.3 19.1 24 39 A E - 0 0 96 1,-0.0 -4,-2.3 2,-0.0 -1,-0.2 -0.857 57.9-116.8-104.0 136.1 34.8 10.5 17.1 25 40 A G E +J 19 0C 17 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.424 39.6 162.7 -65.7 136.2 37.6 13.0 16.3 26 41 A F E + 0 0 26 -8,-2.6 2,-0.3 1,-0.5 159,-0.2 0.600 61.1 13.7-128.6 -27.3 37.0 16.4 17.8 27 42 A b E -J 18 0C 3 -9,-0.9 -9,-3.2 157,-0.1 -1,-0.5 -0.947 67.6-125.1-145.7 161.3 40.3 18.3 17.7 28 43 A G E -J 17 0C 1 157,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.415 21.8-170.8 -98.5 179.2 43.7 17.9 16.0 29 44 A G E -J 16 0C 0 -13,-1.4 -13,-2.3 -2,-0.2 2,-0.4 -0.966 20.9-119.6-161.3 163.3 47.2 17.8 17.4 30 45 A T E -JL 15 38C 0 8,-2.8 8,-2.4 -2,-0.3 2,-0.5 -0.963 23.2-128.7-114.8 133.4 50.8 17.8 16.3 31 46 A I E + L 0 37C 0 -17,-2.6 76,-2.8 -2,-0.4 6,-0.2 -0.679 32.1 169.5 -76.6 121.0 53.3 15.0 17.0 32 47 A L - 0 0 14 4,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.711 65.6 -23.7-100.8 -35.4 56.4 16.5 18.6 33 48 A S S S- 0 0 32 3,-1.3 -1,-0.4 72,-0.1 3,-0.4 -0.896 83.9 -73.6-161.6-177.0 58.2 13.3 19.7 34 49 A E S S+ 0 0 96 -2,-0.3 64,-2.8 1,-0.2 62,-0.1 0.777 132.5 30.7 -63.8 -25.6 57.3 9.6 20.5 35 50 A F S S+ 0 0 46 62,-0.2 59,-2.6 1,-0.1 2,-0.4 0.467 108.9 78.5-109.4 -7.6 55.7 10.7 23.8 36 51 A Y E - M 0 93C 9 -3,-0.4 -4,-2.8 57,-0.2 -3,-1.3 -0.925 44.4-178.0-123.2 134.6 54.4 14.3 23.1 37 52 A I E -LM 31 92C 0 55,-2.6 55,-3.4 -2,-0.4 2,-0.4 -0.933 16.3-148.7-118.3 137.6 51.4 15.8 21.4 38 53 A L E +LM 30 91C 0 -8,-2.4 -8,-2.8 -2,-0.4 2,-0.2 -0.921 32.8 150.2-104.8 131.8 50.9 19.6 21.0 39 54 A T E - M 0 90C 0 51,-2.7 51,-1.9 -2,-0.4 2,-0.3 -0.834 48.2 -78.7-146.3-176.4 47.2 20.8 20.9 40 55 A A > - 0 0 0 -12,-0.4 3,-0.6 49,-0.2 4,-0.3 -0.715 30.8-135.1 -89.0 144.7 45.0 23.8 21.8 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 0.897 104.9 61.0 -64.3 -39.6 44.0 24.3 25.6 42 57 A H G > S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.727 91.8 68.5 -59.6 -26.8 40.4 25.0 24.6 43 58 A b G X S+ 0 0 0 -3,-0.6 3,-1.1 1,-0.2 4,-0.3 0.713 84.5 70.3 -60.9 -30.6 40.2 21.4 23.1 44 59 A L G < S+ 0 0 29 -3,-1.8 -1,-0.2 -4,-0.3 3,-0.2 0.585 95.3 54.1 -68.1 -9.9 40.5 19.9 26.6 45 60 A Y G < S+ 0 0 157 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.572 90.6 75.5 -95.6 -15.0 36.9 21.2 27.3 46 61 A Q S < S+ 0 0 105 -3,-1.1 2,-0.3 -4,-0.3 -2,-0.2 0.595 106.7 22.0 -72.7 -16.1 35.4 19.4 24.2 47 61AA A - 0 0 17 -4,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.958 58.7-145.4-157.9 138.0 35.6 16.0 25.9 48 62 A K S S+ 0 0 103 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.929 96.6 16.6 -66.6 -50.5 35.8 14.5 29.5 49 63 A R S S+ 0 0 145 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.979 79.0 171.9-126.2 136.7 38.0 11.6 28.5 50 64 A F - 0 0 26 -2,-0.4 21,-0.5 -30,-0.2 -30,-0.2 -0.999 18.3-157.0-147.9 151.0 40.0 11.4 25.3 51 65 A K E -K 19 0C 69 -32,-2.1 -32,-2.4 -2,-0.3 2,-0.5 -0.623 25.3-115.2-114.2 173.9 42.6 9.3 23.4 52 66 A V E -KN 18 69C 0 17,-3.3 17,-2.3 -34,-0.2 2,-0.4 -0.948 20.1-160.4-119.8 115.9 45.1 10.2 20.6 53 67 A R E -KN 17 68C 14 -36,-3.3 -36,-2.4 -2,-0.5 2,-0.3 -0.817 14.0-176.7 -94.0 133.1 44.8 8.6 17.2 54 68 A V E +KN 16 67C 2 13,-2.5 13,-1.6 -2,-0.4 -38,-0.1 -0.829 60.4 26.4-121.6 162.2 48.0 8.8 14.9 55 69 A G S S+ 0 0 3 -40,-0.6 2,-0.4 48,-0.6 10,-0.1 0.607 83.8 138.6 61.8 13.9 48.7 7.6 11.3 56 70 A D + 0 0 7 -41,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.740 18.1 158.0 -90.6 135.0 45.0 8.0 10.5 57 71 A R S S+ 0 0 51 -2,-0.4 86,-2.8 1,-0.4 2,-0.3 0.531 74.9 29.9-126.8 -25.9 44.1 9.6 7.2 58 72 A N B > -P 142 0D 13 3,-0.3 3,-0.6 84,-0.2 -1,-0.4 -0.951 63.5-159.7-142.4 112.5 40.6 8.2 6.7 59 73 A T T 3 S+ 0 0 46 82,-3.2 83,-0.1 -2,-0.3 -1,-0.1 0.713 88.2 63.3 -67.0 -26.1 38.4 7.6 9.8 60 74 A E T 3 S+ 0 0 139 81,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.810 102.2 54.4 -69.0 -33.6 36.0 5.2 8.0 61 75 A Q S < S- 0 0 129 -3,-0.6 2,-0.6 2,-0.0 -3,-0.3 -0.929 79.5-132.7-113.9 124.7 38.8 2.6 7.2 62 76 A E - 0 0 140 -2,-0.5 -3,-0.1 1,-0.2 -6,-0.0 -0.603 22.5-168.6 -71.1 108.3 41.1 0.9 9.7 63 77 A E - 0 0 68 -2,-0.6 2,-0.2 -5,-0.2 -1,-0.2 0.707 25.7-133.6 -72.6 -27.9 44.5 1.4 7.9 64 78 A G S S+ 0 0 59 2,-0.1 -1,-0.1 -3,-0.0 -2,-0.1 -0.272 99.9 74.0 96.2 -41.9 46.4 -0.9 10.2 65 79 A G S S+ 0 0 13 -2,-0.2 2,-0.2 -10,-0.1 -9,-0.1 0.521 76.8 103.0 -76.1 -10.5 49.2 1.7 10.4 66 80 A E - 0 0 19 -11,-0.1 2,-0.3 -13,-0.0 -11,-0.2 -0.512 54.1-169.3 -72.0 142.1 46.9 3.7 12.7 67 81 A A E -N 54 0C 36 -13,-1.6 -13,-2.5 -2,-0.2 2,-0.4 -0.992 14.8-144.1-139.0 140.6 47.6 3.6 16.5 68 82 A V E -N 53 0C 73 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.895 19.7-168.1-103.9 131.6 45.5 4.7 19.5 69 83 A H E -N 52 0C 11 -17,-2.3 -17,-3.3 -2,-0.4 2,-0.2 -0.978 13.8-135.8-125.6 136.9 47.5 6.2 22.4 70 84 A E - 0 0 83 -2,-0.4 25,-2.5 -19,-0.2 2,-0.5 -0.620 24.4-117.0 -88.7 149.9 46.2 7.0 25.9 71 85 A V E +O 94 0C 34 -21,-0.5 23,-0.3 -2,-0.2 3,-0.1 -0.784 28.6 177.4 -93.4 127.2 47.2 10.2 27.6 72 86 A E E S+ 0 0 105 21,-2.7 2,-0.4 -2,-0.5 22,-0.2 0.909 72.8 18.7 -86.1 -58.4 49.2 10.0 30.8 73 87 A V E -O 93 0C 50 20,-1.4 20,-2.9 2,-0.0 2,-0.5 -0.961 59.4-157.0-123.6 134.9 49.7 13.7 31.6 74 88 A V E -O 92 0C 73 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.967 11.2-165.7-107.7 114.8 47.7 16.8 30.3 75 89 A I E -O 91 0C 29 16,-3.1 16,-2.3 -2,-0.5 2,-0.3 -0.862 15.1-177.8-107.4 92.8 50.0 19.9 30.6 76 90 A K E -O 90 0C 75 -2,-0.8 2,-0.5 14,-0.2 14,-0.2 -0.724 32.4-109.4 -95.2 140.4 47.6 22.8 30.2 77 91 A H > - 0 0 15 12,-1.5 3,-2.1 -2,-0.3 12,-0.1 -0.594 21.0-148.2 -72.0 115.8 48.7 26.5 30.1 78 92 A N T 3 S+ 0 0 142 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.699 94.0 62.5 -55.5 -26.3 47.4 28.2 33.4 79 93 A R T 3 S+ 0 0 163 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.460 78.2 115.9 -82.9 -1.6 47.0 31.5 31.6 80 94 A F < + 0 0 19 -3,-2.1 2,-0.3 7,-0.2 7,-0.2 -0.517 36.7 168.4 -74.0 137.2 44.3 30.1 29.2 81 95 A T >> - 0 0 51 5,-0.7 4,-2.5 -2,-0.2 3,-1.0 -0.990 41.2-135.8-147.0 138.4 40.8 31.5 29.5 82 96 A K T 34 S+ 0 0 154 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.626 101.6 71.8 -64.7 -16.4 37.7 31.2 27.2 83 97 A E T 34 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.819 120.7 8.4 -70.2 -34.5 37.2 35.0 27.7 84 98 A T T <4 S- 0 0 70 -3,-1.0 -2,-0.2 2,-0.1 81,-0.2 0.536 84.9-136.2-118.9 -20.8 40.2 35.9 25.5 85 99 A Y >< + 0 0 68 -4,-2.5 3,-0.7 1,-0.2 -3,-0.1 0.585 55.0 150.2 63.5 14.2 41.3 32.6 24.0 86 100 A D T 3 + 0 0 24 -5,-0.4 -5,-0.7 1,-0.2 -1,-0.2 -0.327 57.4 23.3 -71.6 156.8 44.9 33.8 24.8 87 101 A F T 3 S+ 0 0 45 1,-0.2 2,-2.2 -7,-0.2 -10,-0.2 0.801 75.9 175.2 55.2 35.8 47.6 31.1 25.7 88 102 A D < + 0 0 0 -3,-0.7 2,-0.3 -48,-0.1 131,-0.2 -0.477 35.6 113.8 -75.9 75.9 45.6 28.5 23.6 89 103 A I + 0 0 0 -2,-2.2 -12,-1.5 -49,-0.2 2,-0.3 -0.993 34.2 167.5-147.8 145.5 48.2 25.8 24.1 90 104 A A E -MO 39 76C 0 -51,-1.9 -51,-2.7 -2,-0.3 2,-0.4 -0.965 20.7-144.8-155.2 152.1 48.5 22.4 25.8 91 105 A V E -MO 38 75C 0 -16,-2.3 -16,-3.1 -2,-0.3 2,-0.5 -0.983 12.4-155.3-120.7 133.1 51.0 19.5 25.7 92 106 A L E -MO 37 74C 0 -55,-3.4 -55,-2.6 -2,-0.4 2,-0.5 -0.949 1.8-155.1-112.9 128.6 49.9 15.9 26.1 93 107 A R E -MO 36 73C 60 -20,-2.9 -21,-2.7 -2,-0.5 -20,-1.4 -0.903 20.6-138.0 -98.7 127.9 52.3 13.2 27.3 94 108 A L E - 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