==== 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 16-NOV-09 2WYG . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.KLEANTHOUS,A.D.BORTHWICK,D.BROWN,C.L.BURNS-KURTIS,M.CAMPBE . 280 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 61.8 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 30.0 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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 6.8 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 3 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 . 5 3 2 3 4 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,-0.6 0, 0.0 174,-0.2 0.000 360.0 360.0 360.0 120.3 10.8 14.1 32.4 2 17 A V B -A 174 0A 16 172,-3.1 172,-1.4 137,-0.1 2,-0.2 -0.796 360.0 -16.6 -92.8 123.2 8.8 12.0 34.9 3 18 A G S S+ 0 0 28 -2,-0.6 170,-0.1 125,-0.4 137,-0.1 -0.546 94.5 104.3 79.7-151.0 10.3 12.2 38.4 4 19 A G S S- 0 0 21 -2,-0.2 2,-0.3 138,-0.1 137,-0.2 -0.272 71.8 -78.2 72.6-162.4 13.9 13.5 38.5 5 20 A Q E -B 140 0B 130 135,-3.0 135,-2.9 3,-0.0 2,-0.1 -0.922 40.5 -89.7-138.6 161.4 14.8 17.0 39.7 6 21 A E E -B 139 0B 67 -2,-0.3 2,-0.5 133,-0.2 133,-0.3 -0.463 45.8-113.5 -68.5 139.8 14.8 20.5 38.3 7 22 A a - 0 0 1 131,-2.8 131,-0.2 50,-0.1 3,-0.1 -0.666 37.4-145.4 -71.3 124.1 18.1 21.4 36.6 8 23 A K > - 0 0 106 -2,-0.5 3,-2.7 1,-0.2 4,-0.4 -0.348 42.2 -51.2 -87.0 174.4 19.7 24.1 38.8 9 24 A D T 3 S- 0 0 76 1,-0.3 -1,-0.2 2,-0.1 88,-0.0 -0.169 126.2 -4.2 -51.3 121.3 21.7 27.1 37.6 10 25 A G T 3 S+ 0 0 0 -3,-0.1 271,-1.8 272,-0.1 -1,-0.3 0.447 100.8 112.7 75.6 2.9 24.4 25.8 35.3 11 26 A E S < S+ 0 0 59 -3,-2.7 -2,-0.1 1,-0.2 3,-0.1 0.761 84.6 25.4 -80.2 -28.7 23.7 22.1 35.7 12 27 A a S > S+ 0 0 10 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.435 70.7 152.2-130.6 58.3 22.4 21.1 32.2 13 28 A P T 3 + 0 0 0 0, 0.0 87,-1.7 0, 0.0 42,-0.2 0.662 66.0 62.9 -72.9 -13.0 24.1 23.8 30.0 14 29 A W T 3 S+ 0 0 5 85,-0.2 17,-2.9 87,-0.1 88,-0.2 0.355 75.7 118.3 -88.4 0.1 24.1 21.6 26.8 15 30 A Q E < -J 30 0C 8 -3,-1.6 40,-0.6 15,-0.2 2,-0.3 -0.494 40.8-176.0 -70.9 137.0 20.3 21.3 26.6 16 31 A A E -JK 29 54C 1 13,-2.2 13,-1.4 -2,-0.2 2,-0.4 -0.923 12.1-148.1-127.0 158.6 18.7 22.7 23.5 17 32 A L E -JK 28 53C 7 36,-2.5 36,-3.4 -2,-0.3 2,-0.5 -0.992 7.0-143.2-130.7 128.9 15.0 22.9 22.8 18 33 A L E -JK 27 52C 0 9,-3.0 8,-2.6 -2,-0.4 9,-1.0 -0.823 24.5-169.1 -93.3 128.6 13.4 22.7 19.3 19 34 A I E -JK 25 51C 2 32,-2.4 32,-2.4 -2,-0.5 6,-0.3 -0.952 11.4-135.3-123.7 136.5 10.5 25.1 19.1 20 35 A N E > - K 0 50C 33 4,-2.5 3,-1.8 -2,-0.4 30,-0.2 -0.067 43.4 -80.6 -80.2-176.1 7.8 25.3 16.4 21 36 A E T 3 S+ 0 0 128 28,-0.6 29,-0.1 1,-0.3 -1,-0.1 0.856 132.5 55.9 -52.0 -38.7 6.4 28.4 14.6 22 37 A E T 3 S- 0 0 138 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.026 119.6-112.3 -85.8 29.5 4.2 28.9 17.6 23 38 A N S < S+ 0 0 103 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.723 71.1 141.4 42.7 32.8 7.3 29.0 19.8 24 39 A E - 0 0 112 2,-0.0 -4,-2.5 -4,-0.0 2,-0.2 -0.883 53.0-123.7-102.2 132.3 6.2 25.7 21.5 25 40 A G E +J 19 0C 22 -2,-0.5 -6,-0.3 -6,-0.3 3,-0.1 -0.504 37.7 162.2 -71.7 136.0 9.0 23.2 22.4 26 41 A F E + 0 0 20 -8,-2.6 152,-0.3 1,-0.4 2,-0.3 0.523 62.2 12.6-130.1 -16.1 8.4 19.8 20.9 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-3.0 152,-0.1 -1,-0.4 -0.964 66.4-126.9-154.3 163.7 11.8 18.0 21.1 28 43 A G E -J 17 0C 2 152,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.453 19.8-173.0-104.4-179.2 15.2 18.4 22.8 29 44 A G E -J 16 0C 0 -13,-1.4 -13,-2.2 -2,-0.2 2,-0.4 -0.942 22.3-117.2-162.1 171.2 18.7 18.5 21.4 30 45 A T E -JL 15 38C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.4 -0.982 24.4-123.9-122.1 131.5 22.3 18.6 22.7 31 46 A I E + L 0 37C 0 -17,-2.9 71,-2.3 -2,-0.4 6,-0.2 -0.616 32.7 170.4 -71.4 124.8 24.7 21.4 22.0 32 47 A L - 0 0 15 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.664 63.9 -24.6-105.9 -26.3 27.9 20.0 20.4 33 48 A S S S- 0 0 39 3,-1.4 -1,-0.4 67,-0.1 60,-0.1 -0.936 83.9 -70.8-171.1-177.2 29.7 23.2 19.4 34 49 A E S S+ 0 0 100 -2,-0.3 59,-3.1 1,-0.2 57,-0.1 0.821 132.4 26.4 -64.5 -27.5 28.9 26.8 18.6 35 50 A F S S+ 0 0 44 57,-0.2 54,-3.0 1,-0.1 2,-0.4 0.546 110.2 77.1-107.5 -12.3 27.2 25.8 15.3 36 51 A Y E - M 0 88C 13 52,-0.2 -4,-2.8 -3,-0.1 -3,-1.4 -0.902 46.0-176.1-119.9 135.1 26.0 22.2 15.8 37 52 A I E -LM 31 87C 0 50,-2.2 50,-3.0 -2,-0.4 2,-0.4 -0.953 16.9-144.9-119.1 136.4 23.1 20.6 17.6 38 53 A L E +LM 30 86C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.3 -0.832 34.8 147.8 -95.5 135.5 22.5 16.8 18.0 39 54 A T E - M 0 85C 0 46,-2.9 46,-2.2 -2,-0.4 2,-0.4 -0.874 47.6 -76.3-152.6-175.3 18.9 15.6 17.9 40 55 A A >> - 0 0 0 -12,-0.4 3,-1.0 44,-0.3 4,-0.5 -0.753 27.8-136.4 -93.0 140.4 16.7 12.7 16.9 41 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.3 1,-0.2 -1,-0.1 0.866 104.5 61.1 -57.5 -36.8 15.8 12.1 13.3 42 57 A H G >4 S+ 0 0 13 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.776 91.8 66.4 -66.7 -24.7 12.2 11.4 14.3 43 58 A b G X4 S+ 0 0 1 -3,-1.0 3,-1.6 1,-0.3 -1,-0.3 0.791 84.9 73.4 -63.2 -27.5 11.9 14.9 15.7 44 59 A L G << S+ 0 0 29 -3,-1.3 -1,-0.3 -4,-0.5 3,-0.2 0.523 93.8 53.4 -67.1 -5.6 12.2 16.3 12.2 45 60 A Y G < S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.497 89.6 76.6-103.5 -9.0 8.7 15.1 11.4 46 61 A Q S < S+ 0 0 88 -3,-1.6 2,-0.3 -4,-0.3 -2,-0.1 0.403 105.4 20.5 -86.1 2.4 7.0 16.8 14.3 47 61AA A - 0 0 19 -4,-0.2 -1,-0.1 -3,-0.2 3,-0.1 -0.944 60.1-142.0-165.6 147.1 7.1 20.3 12.8 48 62 A K S S+ 0 0 211 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.959 94.8 15.0 -76.3 -56.2 7.5 21.8 9.3 49 63 A R S S+ 0 0 130 2,-0.0 -28,-0.6 0, 0.0 2,-0.3 -0.925 77.2 165.4-119.0 144.6 9.6 24.8 10.4 50 64 A F E -K 20 0C 26 -2,-0.4 16,-0.5 -30,-0.2 2,-0.2 -0.990 20.9-152.2-155.0 160.2 11.5 25.1 13.7 51 65 A K E -KN 19 65C 56 -32,-2.4 -32,-2.4 -2,-0.3 2,-0.5 -0.750 24.8-114.6-124.9 173.1 14.2 27.0 15.5 52 66 A V E -KN 18 64C 0 12,-2.9 12,-2.8 -2,-0.2 2,-0.4 -0.957 21.8-161.9-116.6 126.0 16.5 26.0 18.4 53 67 A R E +KN 17 63C 36 -36,-3.4 -36,-2.5 -2,-0.5 2,-0.3 -0.879 12.1 179.6-104.3 136.8 16.3 27.7 21.8 54 68 A V E +K 16 0C 2 8,-1.9 -38,-0.1 -2,-0.4 45,-0.1 -0.914 54.5 28.5-128.2 158.2 19.3 27.4 24.3 55 69 A G S S+ 0 0 14 -40,-0.6 2,-0.7 43,-0.5 3,-0.1 0.162 78.2 118.1 87.4 -19.3 19.9 28.8 27.8 56 70 A D + 0 0 66 1,-0.2 3,-0.2 6,-0.1 -1,-0.2 -0.745 28.7 172.5 -90.5 117.5 16.3 28.9 29.1 57 71 A R S S+ 0 0 71 -2,-0.7 81,-2.7 1,-0.3 2,-0.5 0.696 81.0 45.4 -87.9 -21.6 15.7 26.7 32.2 58 72 A N B S-P 137 0D 48 79,-0.2 -1,-0.3 -3,-0.1 79,-0.2 -0.940 72.2-154.5-126.5 104.7 12.3 28.3 32.6 59 73 A T 0 0 44 77,-2.7 78,-0.1 -2,-0.5 -1,-0.1 0.604 360.0 360.0 -53.4 -13.0 10.2 28.7 29.3 60 74 A E 0 0 161 76,-0.4 -1,-0.2 -3,-0.0 77,-0.1 0.814 360.0 360.0-105.5 360.0 8.4 31.6 31.1 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 81 A A 0 0 57 0, 0.0 -8,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.6 18.4 32.9 22.7 63 82 A V E -N 53 0C 72 -10,-0.2 2,-0.4 -12,-0.0 -10,-0.2 -0.847 360.0-170.2-105.6 129.5 16.8 31.6 19.5 64 83 A H E -N 52 0C 14 -12,-2.8 -12,-2.9 -2,-0.5 2,-0.2 -0.967 14.8-137.8-122.4 133.8 18.8 30.3 16.6 65 84 A E E -N 51 0C 67 -2,-0.4 25,-2.8 -14,-0.2 26,-0.5 -0.530 25.9-114.2 -83.4 156.9 17.6 29.4 13.2 66 85 A V E -O 89 0C 25 -16,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.764 27.2-179.5 -94.5 129.4 18.7 26.3 11.4 67 86 A E E S+ 0 0 117 21,-2.8 2,-0.4 -2,-0.5 22,-0.2 0.907 72.9 17.2 -87.9 -53.3 20.8 26.5 8.3 68 87 A V E -O 88 0C 57 20,-1.8 20,-2.7 2,-0.0 2,-0.6 -0.967 59.9-156.6-126.2 135.7 21.3 22.8 7.4 69 88 A V E -O 87 0C 68 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.951 11.0-168.6-108.6 119.1 19.4 19.7 8.6 70 89 A I E -O 86 0C 35 16,-3.2 16,-3.0 -2,-0.6 2,-0.4 -0.918 9.7-177.5-113.0 109.0 21.5 16.6 8.4 71 90 A K E -O 85 0C 62 -2,-0.7 2,-0.3 14,-0.2 14,-0.2 -0.838 36.4-105.1-109.2 138.1 19.4 13.5 8.9 72 91 A H > - 0 0 17 12,-2.2 3,-1.7 -2,-0.4 12,-0.1 -0.469 27.4-142.7 -63.8 124.0 20.7 9.9 8.9 73 92 A N T 3 S+ 0 0 145 -2,-0.3 -1,-0.2 1,-0.3 9,-0.0 0.680 96.1 58.8 -65.0 -15.7 19.6 8.5 5.5 74 93 A R T 3 S+ 0 0 152 8,-0.1 -1,-0.3 2,-0.1 7,-0.1 0.453 72.6 126.8 -93.3 -0.5 18.9 5.1 7.1 75 94 A F < - 0 0 23 -3,-1.7 2,-0.4 7,-0.2 7,-0.2 -0.347 41.7-164.7 -57.3 133.8 16.4 6.3 9.7 76 95 A T > - 0 0 57 5,-1.1 4,-2.9 1,-0.1 5,-0.4 -0.986 22.7-149.5-126.3 125.4 13.1 4.3 9.4 77 96 A K T 4 S+ 0 0 136 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.783 97.2 62.7 -59.2 -25.3 9.9 5.4 11.0 78 97 A E T 4 S+ 0 0 184 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.960 122.6 10.8 -67.0 -54.1 9.1 1.7 11.3 79 98 A T T 4 S- 0 0 56 -3,-0.2 -2,-0.2 2,-0.1 81,-0.2 0.613 88.1-131.5-100.9 -16.3 11.9 0.6 13.7 80 99 A Y >< + 0 0 65 -4,-2.9 3,-0.7 1,-0.2 -3,-0.1 0.649 52.6 156.1 66.2 16.7 13.3 4.0 14.7 81 100 A D T 3 + 0 0 28 -5,-0.4 -5,-1.1 1,-0.2 -1,-0.2 -0.428 62.3 22.4 -69.8 151.4 16.7 2.5 13.9 82 101 A F T 3 S+ 0 0 26 1,-0.2 2,-2.0 -7,-0.2 -1,-0.2 0.866 79.3 174.9 58.1 40.0 19.4 5.2 13.1 83 102 A D < + 0 0 1 -3,-0.7 2,-0.3 79,-0.1 -1,-0.2 -0.520 33.1 112.6 -81.6 79.2 17.3 7.8 15.0 84 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -44,-0.3 2,-0.3 -0.997 34.7 171.3-152.3 147.7 19.8 10.7 14.7 85 104 A A E -MO 39 71C 0 -46,-2.2 -46,-2.9 -2,-0.3 2,-0.4 -0.983 18.6-145.9-153.5 149.4 20.2 14.1 13.1 86 105 A V E -MO 38 70C 0 -16,-3.0 -16,-3.2 -2,-0.3 2,-0.4 -0.972 13.5-156.3-120.0 134.9 22.7 17.0 13.3 87 106 A L E -MO 37 69C 0 -50,-3.0 -50,-2.2 -2,-0.4 2,-0.5 -0.933 3.5-154.8-110.7 133.8 21.6 20.6 12.8 88 107 A R E -MO 36 68C 62 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.8 -0.951 22.2-138.5-104.7 126.3 23.9 23.4 11.7 89 108 A L E - 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