==== 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 2WYJ . 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 . 282 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 62.1 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 . 83 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 6.7 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 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 1 4 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,-0.5 0, 0.0 177,-0.2 0.000 360.0 360.0 360.0 132.9 10.8 13.9 32.3 2 17 A V B -A 177 0A 14 175,-2.6 175,-1.5 176,-0.0 2,-0.2 -0.936 360.0 -9.7-105.4 125.6 8.7 12.1 34.8 3 18 A G S S+ 0 0 28 -2,-0.5 173,-0.1 128,-0.4 140,-0.1 -0.534 93.9 100.9 81.0-153.2 10.3 12.2 38.3 4 19 A G S S- 0 0 17 -2,-0.2 2,-0.3 141,-0.1 140,-0.2 0.016 72.1 -78.2 66.6-177.4 13.8 13.6 38.5 5 20 A Q E -B 143 0B 144 138,-1.6 138,-3.0 1,-0.1 2,-0.0 -0.807 43.1 -91.1-122.2 160.5 14.8 17.0 39.6 6 21 A E E -B 142 0B 63 -2,-0.3 2,-0.6 136,-0.2 136,-0.3 -0.350 44.1-111.1 -64.1 143.1 14.8 20.4 38.0 7 22 A a - 0 0 1 134,-2.6 134,-0.2 50,-0.1 3,-0.1 -0.741 39.3-147.3 -77.3 123.3 18.1 21.4 36.2 8 23 A K > - 0 0 107 -2,-0.6 3,-2.6 1,-0.2 4,-0.4 -0.349 42.8 -48.3 -87.8 172.0 19.6 24.1 38.3 9 24 A D T 3 S- 0 0 76 1,-0.3 -1,-0.2 2,-0.1 92,-0.0 -0.093 126.1 -7.6 -45.4 114.7 21.7 27.1 37.1 10 25 A G T 3 S+ 0 0 0 -3,-0.1 273,-1.8 2,-0.1 -1,-0.3 0.595 100.4 113.0 76.1 13.0 24.3 25.8 34.7 11 26 A E S < S+ 0 0 54 -3,-2.6 -2,-0.1 1,-0.2 3,-0.1 0.717 84.9 28.9 -88.8 -24.4 23.7 22.0 35.3 12 27 A a S > S+ 0 0 7 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.418 71.0 150.2-131.0 57.2 22.4 21.1 31.9 13 28 A P T 3 + 0 0 0 0, 0.0 90,-1.8 0, 0.0 42,-0.3 0.708 66.7 61.4 -70.5 -18.5 24.1 23.6 29.7 14 29 A W T 3 S+ 0 0 7 88,-0.2 17,-2.5 90,-0.1 91,-0.2 0.400 76.1 121.9 -86.7 2.0 24.2 21.3 26.6 15 30 A Q E < -J 30 0C 7 -3,-1.6 40,-0.6 15,-0.2 2,-0.3 -0.456 40.2-173.3 -67.4 133.3 20.4 21.1 26.4 16 31 A A E -JK 29 54C 1 13,-2.5 13,-1.5 -2,-0.2 2,-0.4 -0.924 8.9-152.5-121.7 152.4 18.9 22.2 23.1 17 32 A L E -JK 28 53C 4 36,-2.6 36,-3.6 -2,-0.3 2,-0.6 -0.994 8.2-142.0-128.8 128.2 15.1 22.6 22.5 18 33 A L E -JK 27 52C 0 9,-4.0 8,-2.2 -2,-0.4 9,-1.0 -0.788 23.1-165.6 -90.5 124.4 13.4 22.2 19.1 19 34 A I E -JK 25 51C 1 32,-2.2 32,-2.0 -2,-0.6 6,-0.2 -0.912 10.2-139.0-117.8 133.3 10.6 24.7 18.7 20 35 A N E > - K 0 50C 36 4,-2.7 3,-2.3 -2,-0.4 4,-0.2 -0.149 47.5 -79.5 -76.2 179.7 7.9 24.8 16.0 21 36 A E T 3 S+ 0 0 132 28,-0.5 -1,-0.1 1,-0.3 29,-0.1 0.698 132.0 57.7 -55.6 -19.7 6.6 27.9 14.3 22 37 A E T 3 S- 0 0 144 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.102 120.0-107.9 -97.0 20.1 4.5 28.7 17.4 23 38 A N S < S+ 0 0 102 -3,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.807 74.2 143.2 55.9 30.5 7.6 28.7 19.7 24 39 A E - 0 0 120 -4,-0.2 -4,-2.7 2,-0.0 2,-0.3 -0.876 51.1-124.8-104.7 134.9 6.5 25.4 21.2 25 40 A G E +J 19 0C 21 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.557 38.5 157.8 -75.9 133.9 9.0 22.7 22.2 26 41 A F E + 0 0 19 -8,-2.2 2,-0.3 1,-0.4 155,-0.3 0.515 66.2 11.9-126.7 -21.9 8.4 19.3 20.6 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-4.0 155,-0.1 -1,-0.4 -0.977 63.6-132.7-152.3 160.2 11.9 17.7 20.9 28 43 A G E -J 17 0C 2 155,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.427 17.7-172.0-103.2-177.0 15.3 18.2 22.5 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.5 -2,-0.2 2,-0.4 -0.930 22.7-114.4-165.1 169.1 18.8 18.1 21.1 30 45 A T E -JL 15 38C 0 8,-2.8 8,-2.8 -2,-0.3 2,-0.5 -0.972 24.6-123.4-120.5 133.9 22.3 18.2 22.5 31 46 A I E + L 0 37C 0 -17,-2.5 74,-2.5 -2,-0.4 6,-0.2 -0.651 31.5 172.2 -76.0 122.2 24.8 21.0 21.8 32 47 A L - 0 0 13 4,-3.2 2,-0.3 -2,-0.5 5,-0.2 0.616 64.4 -31.7-103.5 -19.5 27.9 19.4 20.2 33 48 A S S S- 0 0 29 3,-1.1 -1,-0.4 70,-0.1 3,-0.3 -0.950 84.8 -63.3 178.1-178.7 29.8 22.7 19.3 34 49 A E S S+ 0 0 99 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.817 133.1 25.9 -60.4 -28.4 29.0 26.3 18.2 35 50 A F S S+ 0 0 47 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.552 109.7 79.2-109.0 -10.6 27.4 25.2 15.0 36 51 A Y E - M 0 91C 17 -3,-0.3 -4,-3.2 55,-0.2 -3,-1.1 -0.901 44.3-178.3-120.8 131.5 26.1 21.6 15.7 37 52 A I E -LM 31 90C 0 53,-2.2 53,-3.0 -2,-0.4 2,-0.4 -0.894 17.7-145.8-114.3 140.7 23.1 20.1 17.5 38 53 A L E +LM 30 89C 0 -8,-2.8 -8,-2.8 -2,-0.4 2,-0.2 -0.913 33.4 146.9-104.7 137.5 22.6 16.4 17.9 39 54 A T E - M 0 88C 0 49,-2.6 49,-2.9 -2,-0.4 2,-0.3 -0.881 48.6 -75.7-153.3-177.9 19.0 15.0 17.9 40 55 A A > - 0 0 0 -12,-0.4 3,-0.8 47,-0.3 4,-0.5 -0.701 30.7-136.2 -88.2 141.3 16.8 12.1 16.9 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 0.891 103.0 63.1 -62.2 -39.2 15.9 11.6 13.2 42 57 A H G > S+ 0 0 10 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.767 91.5 67.1 -60.3 -23.5 12.3 10.8 14.0 43 58 A b G X S+ 0 0 1 -3,-0.8 3,-1.7 1,-0.3 -1,-0.3 0.795 83.8 72.6 -65.2 -29.6 12.0 14.4 15.4 44 59 A L G < S+ 0 0 29 -3,-1.7 -1,-0.3 -4,-0.5 3,-0.2 0.517 95.1 53.7 -64.7 -5.9 12.4 15.8 11.9 45 60 A Y G < S+ 0 0 142 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.532 89.3 76.7-102.4 -12.2 8.9 14.6 11.0 46 61 A Q S < S+ 0 0 98 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.1 0.322 102.6 24.6 -87.4 10.4 7.1 16.3 13.9 47 61AA A - 0 0 22 -3,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.912 64.1-136.4-168.5 140.1 7.2 19.8 12.4 48 62 A K S S+ 0 0 198 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.997 95.4 4.9 -60.6 -65.5 7.3 21.4 8.9 49 63 A R S S+ 0 0 144 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.906 77.5 172.6-120.9 147.4 9.8 24.1 9.8 50 64 A F E -K 20 0C 27 -2,-0.3 19,-0.5 -30,-0.2 2,-0.3 -0.976 18.6-148.6-151.5 161.9 11.6 24.5 13.2 51 65 A K E -KN 19 68C 69 -32,-2.0 -32,-2.2 -2,-0.3 2,-0.5 -0.795 25.0-113.6-123.5 171.4 14.3 26.5 15.0 52 66 A V E -KN 18 67C 0 15,-3.4 15,-3.0 -2,-0.3 2,-0.5 -0.939 22.8-162.8-114.5 123.0 16.7 25.6 17.8 53 67 A R E +KN 17 66C 23 -36,-3.6 -36,-2.6 -2,-0.5 2,-0.3 -0.883 13.7 174.1-104.2 131.7 16.5 27.2 21.3 54 68 A V E +KN 16 65C 2 11,-1.9 11,-1.1 -2,-0.5 -38,-0.1 -0.817 55.6 37.1-126.2 166.8 19.4 27.0 23.8 55 69 A G S S+ 0 0 12 -40,-0.6 2,-0.4 46,-0.5 47,-0.1 0.556 82.6 133.3 71.1 8.9 20.2 28.5 27.2 56 70 A D + 0 0 8 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.753 20.3 155.4 -96.8 135.9 16.6 28.1 28.2 57 71 A R S S+ 0 0 66 -2,-0.4 84,-2.7 1,-0.3 2,-0.5 0.580 76.1 39.1-124.0 -29.7 15.6 26.6 31.6 58 72 A N B > -P 140 0D 12 3,-0.4 3,-0.5 82,-0.2 -1,-0.3 -0.968 68.2-156.7-127.0 106.5 12.1 28.2 32.1 59 73 A T T 3 S+ 0 0 46 80,-2.7 81,-0.1 -2,-0.5 3,-0.1 0.330 91.1 54.1 -68.8 8.5 10.1 28.5 28.8 60 74 A E T 3 S+ 0 0 141 79,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.720 102.8 53.0-108.8 -37.2 8.0 31.3 30.3 61 75 A Q < 0 0 130 -3,-0.5 -3,-0.4 1,-0.2 -4,-0.3 -0.892 360.0 360.0-107.3 133.7 10.7 33.8 31.4 62 76 A E 0 0 210 -2,-0.4 -1,-0.2 -3,-0.1 -4,-0.1 0.831 360.0 360.0 -95.0 360.0 13.4 35.1 29.1 63 ! 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 64 80 A E 0 0 56 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 0.000 360.0 360.0 360.0 134.7 17.8 32.0 25.9 65 81 A A E -N 54 0C 31 -11,-1.1 -11,-1.9 2,-0.0 2,-0.5 -0.868 360.0-138.7-163.6 129.2 18.9 32.4 22.2 66 82 A V E -N 53 0C 74 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.801 20.6-171.4 -97.2 127.8 17.1 31.2 19.1 67 83 A H E -N 52 0C 13 -15,-3.0 -15,-3.4 -2,-0.5 2,-0.3 -0.930 14.2-136.2-119.6 146.8 19.1 29.7 16.2 68 84 A E E -N 51 0C 62 -2,-0.4 25,-2.7 -17,-0.2 26,-0.5 -0.712 21.4-117.3-100.7 153.1 18.0 28.8 12.8 69 85 A V E +O 92 0C 28 -19,-0.5 23,-0.2 -2,-0.3 3,-0.1 -0.717 28.1 175.6 -91.4 132.1 18.9 25.6 11.0 70 86 A E E S+ 0 0 110 21,-2.9 2,-0.4 -2,-0.4 22,-0.2 0.833 72.3 18.8 -98.8 -47.2 21.0 25.7 7.9 71 87 A V E -O 91 0C 61 20,-1.6 20,-2.8 2,-0.0 2,-0.6 -0.991 60.2-157.5-130.7 130.0 21.5 22.1 7.1 72 88 A V E -O 90 0C 69 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.943 12.7-167.3-104.9 116.3 19.6 19.1 8.4 73 89 A I E -O 89 0C 49 16,-2.5 16,-2.4 -2,-0.6 2,-0.3 -0.883 9.2-176.6-109.2 103.2 21.7 15.9 8.2 74 90 A K E -O 88 0C 70 -2,-0.7 2,-0.5 14,-0.2 14,-0.2 -0.711 34.5-107.4-100.8 146.2 19.6 12.8 8.7 75 91 A H > - 0 0 15 12,-1.5 3,-1.8 -2,-0.3 12,-0.1 -0.639 27.1-140.8 -73.3 122.6 21.0 9.3 8.8 76 92 A N T 3 S+ 0 0 143 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.735 95.5 58.4 -58.3 -23.1 19.9 7.7 5.5 77 93 A R T 3 S+ 0 0 160 2,-0.1 -1,-0.3 8,-0.0 7,-0.1 0.425 73.7 125.0 -92.4 4.2 19.1 4.3 7.1 78 94 A F < - 0 0 19 -3,-1.8 2,-0.4 7,-0.2 7,-0.2 -0.414 41.0-165.8 -64.6 134.6 16.6 5.6 9.7 79 95 A T >> - 0 0 57 5,-1.0 4,-2.9 -2,-0.1 3,-1.1 -0.982 26.9-150.6-129.0 127.6 13.2 3.8 9.5 80 96 A K T 34 S+ 0 0 160 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.675 96.2 71.8 -60.6 -14.8 10.0 4.9 11.1 81 97 A E T 34 S- 0 0 174 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.851 122.5 -0.8 -72.4 -40.8 9.3 1.1 11.2 82 98 A T T <4 S- 0 0 47 -3,-1.1 81,-0.2 2,-0.1 -2,-0.2 0.422 90.1-121.3-129.3 -9.9 11.8 0.1 13.9 83 99 A Y >< + 0 0 68 -4,-2.9 3,-0.7 1,-0.2 -3,-0.1 0.741 55.6 157.9 66.2 27.5 13.4 3.5 14.8 84 100 A D T 3 + 0 0 29 -5,-0.5 -5,-1.0 1,-0.3 -1,-0.2 -0.488 63.9 21.2 -78.4 152.0 16.9 2.1 14.0 85 101 A F T 3 S+ 0 0 29 1,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.899 78.6 172.8 56.6 39.7 19.5 4.7 13.1 86 102 A D < + 0 0 1 -3,-0.7 2,-0.3 79,-0.2 -1,-0.2 -0.594 34.4 112.5 -83.0 82.2 17.4 7.3 15.0 87 103 A I + 0 0 0 -2,-1.9 -12,-1.5 -47,-0.2 2,-0.3 -0.973 34.9 168.4-155.7 136.9 20.0 10.0 14.8 88 104 A A E -MO 39 74C 0 -49,-2.9 -49,-2.6 -2,-0.3 2,-0.4 -0.983 20.2-144.4-147.0 157.7 20.4 13.4 13.1 89 105 A V E -MO 38 73C 0 -16,-2.4 -16,-2.5 -2,-0.3 2,-0.5 -0.995 12.2-153.7-126.1 130.9 22.8 16.3 13.2 90 106 A L E -MO 37 72C 0 -53,-3.0 -53,-2.2 -2,-0.4 2,-0.5 -0.885 1.7-155.9-105.1 123.1 21.7 19.9 12.8 91 107 A R E -MO 36 71C 74 -20,-2.8 -21,-2.9 -2,-0.5 -20,-1.6 -0.858 20.6-139.8 -95.5 131.5 24.1 22.6 11.5 92 108 A L E - 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