==== 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 3KQC . 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) . 13394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 60.5 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 . 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 . 33 11.5 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 1 1 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 . 5 3 1 5 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,-0.2 0.000 360.0 360.0 360.0 129.3 39.2 22.2 6.4 2 17 A V B -A 179 0A 16 177,-3.3 177,-1.1 142,-0.0 2,-0.1 -0.869 360.0 -18.1 -99.2 123.5 37.0 24.1 3.9 3 18 A G S S+ 0 0 27 -2,-0.5 142,-0.1 130,-0.5 175,-0.1 -0.460 95.2 101.2 77.1-150.2 38.5 23.7 0.4 4 19 A G S S- 0 0 29 -2,-0.1 2,-0.3 140,-0.1 142,-0.2 -0.301 72.9 -69.8 70.9-156.1 42.1 22.6 0.1 5 20 A Q E -B 145 0B 102 140,-3.0 140,-3.3 -2,-0.0 2,-0.0 -0.968 40.7 -95.8-139.5 154.7 43.2 19.0 -0.7 6 21 A E E -B 144 0B 65 -2,-0.3 2,-0.7 138,-0.3 138,-0.3 -0.352 43.6-111.2 -63.6 143.4 43.2 15.6 0.9 7 22 A a - 0 0 2 136,-2.7 136,-0.2 50,-0.2 3,-0.1 -0.772 39.3-148.7 -75.7 117.7 46.5 14.6 2.7 8 23 A K > - 0 0 108 -2,-0.7 3,-2.2 1,-0.2 4,-0.5 -0.240 43.0 -50.6 -82.0 172.7 47.9 11.9 0.4 9 24 A D T 3 S- 0 0 79 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.237 126.6 -3.1 -51.3 120.3 50.0 9.0 1.7 10 25 A G T 3 S+ 0 0 0 -3,-0.1 275,-2.4 2,-0.1 -1,-0.3 0.421 101.9 111.0 77.8 2.6 52.8 10.3 3.9 11 26 A E S < S+ 0 0 53 -3,-2.2 -2,-0.1 1,-0.2 3,-0.1 0.762 85.2 25.1 -77.6 -33.1 52.0 13.9 3.3 12 27 A a S > S+ 0 0 8 -4,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.493 70.5 152.3-129.0 56.5 50.8 15.0 6.8 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.4 0, 0.0 42,-0.3 0.696 67.1 62.8 -69.8 -12.9 52.5 12.4 9.2 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-2.8 92,-0.1 2,-0.3 0.441 76.7 117.6 -86.9 -3.5 52.5 14.8 12.2 15 30 A Q E < -J 30 0C 7 -3,-1.4 40,-0.6 15,-0.2 2,-0.3 -0.504 41.7-175.9 -72.7 131.3 48.8 15.0 12.3 16 31 A A E -JK 29 54C 1 13,-2.3 13,-1.5 -2,-0.3 2,-0.4 -0.886 13.4-146.2-121.7 152.3 47.1 13.6 15.5 17 32 A L E -JK 28 53C 4 36,-2.7 36,-3.5 -2,-0.3 2,-0.5 -0.990 8.0-141.5-123.7 125.4 43.4 13.3 16.2 18 33 A L E -JK 27 52C 0 9,-3.0 8,-2.1 -2,-0.4 9,-0.9 -0.750 25.2-165.3 -84.8 127.2 41.8 13.8 19.6 19 34 A I E -JK 25 51C 2 32,-2.7 32,-2.3 -2,-0.5 6,-0.2 -0.963 8.5-142.9-121.1 133.5 39.0 11.2 20.0 20 35 A N > - 0 0 26 4,-2.1 3,-2.0 -2,-0.4 30,-0.2 -0.107 44.9 -81.6 -79.0-175.0 36.2 11.2 22.7 21 36 A E T 3 S+ 0 0 121 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.829 131.5 58.8 -55.4 -34.9 34.6 8.1 24.4 22 37 A E T 3 S- 0 0 150 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.256 117.5-115.1 -77.8 6.2 32.4 7.5 21.3 23 38 A N S < S+ 0 0 88 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.731 71.0 139.1 60.0 27.5 35.6 7.2 19.1 24 39 A E - 0 0 96 2,-0.0 -4,-2.1 1,-0.0 -1,-0.2 -0.888 56.0-119.9-104.3 132.4 34.7 10.5 17.2 25 40 A G E +J 19 0C 18 -2,-0.4 -6,-0.2 -6,-0.2 114,-0.1 -0.457 39.0 162.1 -67.0 133.4 37.4 13.1 16.3 26 41 A F E + 0 0 18 -8,-2.1 2,-0.3 1,-0.4 159,-0.2 0.547 62.4 13.3-127.0 -23.6 36.8 16.5 17.9 27 42 A b E -J 18 0C 0 -9,-0.9 -9,-3.0 157,-0.1 -1,-0.4 -0.965 67.9-124.0-148.4 163.2 40.1 18.3 17.7 28 43 A G E -J 17 0C 1 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.406 20.7-171.1-100.8-178.7 43.5 17.9 16.1 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.3 -2,-0.1 2,-0.4 -0.960 20.3-121.5-161.3 167.4 47.0 17.8 17.5 30 45 A T E -JL 15 38C 0 8,-2.7 8,-2.9 -2,-0.3 2,-0.5 -0.990 22.4-128.3-121.6 130.9 50.6 17.8 16.3 31 46 A I E + L 0 37C 0 -17,-2.8 76,-2.6 -2,-0.4 6,-0.2 -0.658 31.5 169.9 -74.4 118.3 53.1 15.0 17.0 32 47 A L - 0 0 14 4,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.696 66.4 -23.4 -98.2 -31.2 56.2 16.6 18.5 33 48 A S S S- 0 0 29 3,-1.4 3,-0.4 72,-0.1 -1,-0.4 -0.926 83.5 -73.1-163.8-177.3 58.0 13.4 19.6 34 49 A E S S+ 0 0 97 -2,-0.3 64,-2.6 1,-0.2 62,-0.1 0.819 131.4 30.1 -63.7 -27.9 57.2 9.8 20.5 35 50 A F S S+ 0 0 47 62,-0.2 59,-2.8 1,-0.1 2,-0.4 0.495 110.8 74.4-105.5 -8.2 55.6 10.8 23.9 36 51 A Y E - M 0 93C 11 -3,-0.4 -4,-2.6 57,-0.2 -3,-1.4 -0.944 45.9-175.8-125.3 136.7 54.2 14.3 23.1 37 52 A I E -LM 31 92C 0 55,-2.4 55,-3.1 -2,-0.4 2,-0.4 -0.942 17.8-145.2-119.4 135.5 51.3 15.9 21.3 38 53 A L E +LM 30 91C 0 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.2 -0.884 35.2 149.9 -98.6 132.8 50.8 19.6 20.9 39 54 A T E - M 0 90C 0 51,-2.7 51,-2.3 -2,-0.4 2,-0.4 -0.816 47.6 -77.7-145.8-173.0 47.1 20.8 20.9 40 55 A A >> - 0 0 0 -12,-0.4 3,-1.1 49,-0.3 4,-0.5 -0.791 28.9-136.5 -95.1 139.7 44.8 23.8 21.9 41 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.2 4,-0.2 0.879 105.2 60.4 -57.6 -40.2 43.9 24.3 25.6 42 57 A H G >4 S+ 0 0 9 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.703 92.1 67.5 -63.1 -23.4 40.3 25.0 24.6 43 58 A b G X4 S+ 0 0 0 -3,-1.1 3,-1.8 1,-0.2 -1,-0.3 0.800 86.3 69.6 -64.2 -32.4 40.1 21.4 23.0 44 59 A L G << S+ 0 0 27 -3,-1.4 3,-0.4 -4,-0.5 -1,-0.2 0.608 94.4 55.4 -63.8 -13.1 40.4 20.0 26.6 45 60 A Y G < S+ 0 0 132 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.509 91.3 75.0 -93.6 -8.9 36.8 21.3 27.4 46 61 A Q S < S+ 0 0 85 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.419 105.1 22.3 -84.8 -0.2 35.3 19.4 24.4 47 61AA A - 0 0 16 -3,-0.4 -1,-0.2 -4,-0.1 3,-0.2 -0.899 59.7-142.6-167.7 136.8 35.5 15.9 26.0 48 62 A K S S+ 0 0 105 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.934 97.4 11.8 -65.8 -51.3 35.6 14.5 29.6 49 63 A R S S+ 0 0 152 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.995 79.7 172.9-130.8 131.0 38.0 11.6 28.7 50 64 A F - 0 0 24 -2,-0.4 21,-0.5 -30,-0.2 -30,-0.2 -0.985 17.1-154.5-140.4 156.0 39.8 11.5 25.3 51 65 A K E -KN 19 70C 70 -32,-2.3 -32,-2.7 -2,-0.3 2,-0.5 -0.647 23.9-113.3-117.4 174.2 42.5 9.4 23.5 52 66 A V E -KN 18 69C 0 17,-3.3 17,-2.8 -34,-0.2 2,-0.5 -0.956 19.2-159.9-117.7 124.6 44.9 10.3 20.6 53 67 A R E -KN 17 68C 20 -36,-3.5 -36,-2.7 -2,-0.5 2,-0.3 -0.883 14.3-178.1-103.6 128.8 44.7 8.7 17.2 54 68 A V E +KN 16 67C 2 13,-2.4 13,-2.0 -2,-0.5 -38,-0.1 -0.868 62.1 26.2-120.0 158.6 47.9 8.8 15.0 55 69 A G S S+ 0 0 4 -40,-0.6 2,-0.4 48,-0.5 10,-0.2 0.562 85.4 136.3 66.1 10.9 48.6 7.6 11.4 56 70 A D + 0 0 7 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.729 17.3 155.1 -91.5 132.7 44.8 8.0 10.6 57 71 A R S S+ 0 0 54 -2,-0.4 86,-2.5 1,-0.3 2,-0.4 0.509 74.8 36.1-125.9 -25.8 43.9 9.6 7.3 58 72 A N B > -P 142 0D 15 3,-0.3 3,-0.7 84,-0.2 -1,-0.3 -0.969 64.7-158.9-135.5 112.2 40.4 8.1 6.8 59 73 A T T 3 S+ 0 0 62 82,-2.7 83,-0.1 -2,-0.4 3,-0.1 0.445 90.7 59.9 -71.8 -3.2 38.2 7.6 10.0 60 74 A E T 3 S+ 0 0 144 81,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.724 102.8 55.3 -94.2 -26.6 36.0 5.0 8.2 61 75 A Q S < S- 0 0 129 -3,-0.7 2,-0.3 2,-0.0 -3,-0.3 -0.919 82.0-125.0-114.2 134.7 38.9 2.5 7.5 62 76 A E - 0 0 140 -2,-0.4 3,-0.1 1,-0.1 -3,-0.1 -0.603 23.4-158.8 -73.6 126.0 41.4 0.9 9.9 63 77 A E - 0 0 53 -2,-0.3 2,-2.9 1,-0.1 -1,-0.1 0.367 15.1-139.5 -96.0 5.2 44.9 1.9 8.5 64 78 A G S S+ 0 0 74 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.368 104.3 57.7 71.5 -61.5 47.2 -0.8 10.1 65 79 A G S S+ 0 0 30 -2,-2.9 -1,-0.2 -10,-0.2 2,-0.2 0.477 89.8 106.7 -72.6 -5.2 49.9 1.9 10.7 66 80 A E - 0 0 18 -11,-0.1 2,-0.3 -13,-0.0 -11,-0.2 -0.526 50.9-177.5 -77.9 138.4 47.1 3.6 12.7 67 81 A A E -N 54 0C 36 -13,-2.0 -13,-2.4 -2,-0.2 2,-0.4 -0.996 23.5-139.2-146.1 146.5 47.3 3.6 16.5 68 82 A V E -N 53 0C 60 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.890 22.5-167.5-105.2 130.1 45.4 4.8 19.6 69 83 A H E -N 52 0C 12 -17,-2.8 -17,-3.3 -2,-0.4 2,-0.3 -0.971 13.3-136.7-123.2 138.1 47.3 6.3 22.5 70 84 A E E -N 51 0C 82 -2,-0.4 25,-2.7 -19,-0.2 2,-0.5 -0.632 24.0-117.2 -89.9 149.7 46.1 7.1 25.9 71 85 A V E +O 94 0C 34 -21,-0.5 23,-0.3 -2,-0.3 3,-0.1 -0.755 29.7 175.9 -89.8 127.2 47.0 10.3 27.6 72 86 A E E S+ 0 0 102 21,-2.8 2,-0.4 -2,-0.5 22,-0.2 0.890 72.2 20.8 -89.0 -56.5 49.1 10.1 30.8 73 87 A V E -O 93 0C 48 20,-1.6 20,-2.8 2,-0.0 2,-0.5 -0.961 59.6-158.2-121.7 132.1 49.6 13.8 31.5 74 88 A V E -O 92 0C 69 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.932 11.5-167.5-102.9 122.7 47.6 16.8 30.3 75 89 A I E -O 91 0C 29 16,-2.8 16,-3.0 -2,-0.5 2,-0.4 -0.932 13.4-179.3-116.3 99.7 49.8 20.0 30.5 76 90 A K E -O 90 0C 76 -2,-0.6 2,-0.5 14,-0.2 14,-0.2 -0.852 33.6-112.2-105.9 137.3 47.5 23.0 30.1 77 91 A H > - 0 0 21 12,-1.5 3,-2.1 -2,-0.4 12,-0.1 -0.592 21.1-147.7 -70.8 114.5 48.6 26.7 30.1 78 92 A N T 3 S+ 0 0 140 -2,-0.5 -1,-0.1 1,-0.3 9,-0.0 0.646 93.8 65.1 -56.4 -21.2 47.1 28.2 33.3 79 93 A R T 3 S+ 0 0 170 8,-0.1 -1,-0.3 2,-0.0 7,-0.1 0.508 75.6 113.4 -83.2 -7.7 46.7 31.6 31.5 80 94 A F < + 0 0 17 -3,-2.1 2,-0.3 7,-0.2 7,-0.2 -0.454 39.5 170.4 -68.8 139.7 44.0 30.2 29.0 81 95 A T >> - 0 0 48 5,-0.7 4,-2.8 -2,-0.1 3,-1.0 -0.981 41.0-133.6-150.1 138.7 40.5 31.6 29.3 82 96 A K T 34 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.694 103.1 68.0 -62.7 -20.9 37.4 31.4 27.1 83 97 A E T 34 S+ 0 0 155 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.813 122.2 10.8 -69.9 -34.8 36.9 35.2 27.4 84 98 A T T <4 S- 0 0 72 -3,-1.0 -2,-0.2 2,-0.1 81,-0.2 0.598 83.4-139.2-114.8 -26.1 40.1 36.0 25.4 85 99 A Y >< + 0 0 74 -4,-2.8 3,-0.6 1,-0.2 -3,-0.1 0.596 53.7 149.6 65.2 14.9 41.2 32.6 23.9 86 100 A D T 3 + 0 0 23 -5,-0.4 -5,-0.7 1,-0.2 -1,-0.2 -0.366 56.7 24.4 -71.9 155.9 44.7 33.8 24.7 87 101 A F T 3 S+ 0 0 50 1,-0.2 2,-2.1 -7,-0.2 -10,-0.2 0.858 76.0 175.9 54.6 41.9 47.4 31.2 25.6 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.1 131,-0.2 -0.518 35.6 113.3 -80.1 75.2 45.4 28.5 23.5 89 103 A I + 0 0 0 -2,-2.1 -12,-1.5 -49,-0.2 2,-0.3 -0.997 35.1 169.6-149.8 140.6 48.0 25.8 24.0 90 104 A A E -MO 39 76C 0 -51,-2.3 -51,-2.7 -2,-0.3 2,-0.4 -0.981 19.6-145.8-148.1 150.8 48.3 22.5 25.7 91 105 A V E -MO 38 75C 0 -16,-3.0 -16,-2.8 -2,-0.3 2,-0.5 -0.968 13.2-156.3-116.4 135.4 50.9 19.6 25.7 92 106 A L E -MO 37 74C 0 -55,-3.1 -55,-2.4 -2,-0.4 2,-0.5 -0.960 2.7-155.7-114.5 131.3 49.9 16.0 26.1 93 107 A R E -MO 36 73C 57 -20,-2.8 -21,-2.8 -2,-0.5 -20,-1.6 -0.922 21.3-138.3-101.4 127.7 52.2 13.3 27.3 94 108 A L E - 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