==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD COAGULATION FACTOR 19-MAR-98 1XKA . COMPND 2 MOLECULE: BLOOD COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KAMATA,S.H.KIM . 326 2 11 10 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 4 5 2 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 . 4 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 49 L Q 0 0 101 0, 0.0 3,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -10.1 43.6 47.1 -28.2 2 50 L a > + 0 0 23 1,-0.2 3,-2.1 17,-0.2 5,-0.2 0.622 360.0 85.9 -77.4 -14.0 43.5 50.0 -25.7 3 51 L E T 3 S+ 0 0 188 1,-0.3 -1,-0.2 2,-0.1 12,-0.0 0.951 84.6 53.7 -50.3 -55.2 43.2 52.4 -28.6 4 52 L T T 3 S- 0 0 103 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.584 113.1-126.2 -57.9 -8.0 39.5 52.0 -28.7 5 53 L S < + 0 0 89 -3,-2.1 -3,-0.1 1,-0.1 -2,-0.1 0.985 38.9 178.3 56.7 63.1 39.7 53.0 -25.0 6 54 L P + 0 0 10 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.603 48.4 95.0 -72.7 -12.2 37.7 49.9 -23.8 7 55 L b - 0 0 18 4,-0.2 4,-0.4 -5,-0.2 3,-0.4 -0.723 66.4-149.0 -88.0 124.1 38.0 50.7 -20.1 8 56 L Q S S+ 0 0 90 24,-3.2 4,-0.1 -2,-0.6 -3,-0.0 -0.619 70.7 24.7 -94.2 150.6 35.0 52.6 -18.7 9 57 L N S S- 0 0 65 -2,-0.2 16,-0.3 1,-0.2 -1,-0.2 0.893 137.3 -52.6 66.7 43.9 34.9 55.1 -16.0 10 58 L Q S S- 0 0 154 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.920 86.5-175.8 60.4 48.8 38.5 56.1 -16.4 11 59 L G - 0 0 15 -4,-0.4 2,-1.3 21,-0.2 13,-0.2 -0.373 34.0-106.9 -76.5 155.8 39.8 52.5 -16.2 12 60 L K E -A 23 0A 118 11,-2.4 11,-1.7 -4,-0.1 2,-0.4 -0.674 39.5-162.6 -84.6 91.8 43.5 51.6 -16.2 13 61 L a E -A 22 0A 46 -2,-1.3 2,-0.5 9,-0.2 9,-0.2 -0.627 8.0-172.7 -80.0 127.6 43.9 50.1 -19.7 14 62 L K E -A 21 0A 155 7,-2.8 7,-1.6 -2,-0.4 2,-0.0 -0.972 16.3-139.8-123.6 115.7 47.1 47.9 -20.1 15 63 L X E +A 20 0A 118 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.290 34.2 147.1 -76.3 157.1 47.8 46.8 -23.6 16 64 L G - 0 0 45 3,-1.3 -1,-0.1 1,-0.4 4,-0.1 -0.182 56.6 -54.7-146.1-114.2 49.1 43.4 -24.7 17 65 L L S S- 0 0 157 -2,-0.1 -1,-0.4 -16,-0.0 0, 0.0 0.427 110.9 -12.2-109.2-118.5 48.3 41.5 -27.9 18 66 L G S S+ 0 0 68 -3,-0.1 2,-0.3 -17,-0.1 -3,-0.0 0.319 134.3 57.1 -69.9 10.5 44.9 40.5 -29.3 19 67 L E - 0 0 120 2,-0.0 -3,-1.3 0, 0.0 2,-0.3 -0.830 62.4-162.5-137.5 173.1 43.9 41.6 -25.8 20 68 L Y E -A 15 0A 37 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.924 15.9-136.4-148.3 166.4 43.9 44.4 -23.3 21 69 L T E -A 14 0A 71 -7,-1.6 -7,-2.8 -2,-0.3 2,-0.5 -0.997 5.4-149.3-137.5 138.0 43.3 44.6 -19.5 22 70 L b E -A 13 0A 20 9,-0.4 2,-0.8 -2,-0.4 -9,-0.2 -0.913 1.6-159.7-109.4 126.8 41.4 47.1 -17.4 23 71 L T E -A 12 0A 87 -11,-1.7 -11,-2.4 -2,-0.5 2,-0.2 -0.912 27.6-133.1-105.8 107.3 42.4 47.9 -13.8 24 72 L c - 0 0 43 -2,-0.8 3,-0.1 -13,-0.2 -13,-0.1 -0.381 13.9-149.6 -69.6 134.2 39.3 49.3 -12.1 25 73 L L > - 0 0 65 -16,-0.3 2,-0.6 1,-0.2 3,-0.5 0.545 55.0 -33.4 -70.9-139.3 39.4 52.4 -10.1 26 74 L E T 3 S+ 0 0 175 1,-0.2 -1,-0.2 11,-0.0 11,-0.0 -0.812 125.8 6.5 -95.4 115.2 37.1 53.1 -7.1 27 75 L G T 3 S+ 0 0 29 -2,-0.6 10,-0.6 1,-0.2 2,-0.3 0.832 101.2 106.0 88.4 38.0 33.6 51.7 -7.4 28 76 L F E < +B 36 0B 38 -3,-0.5 2,-0.2 8,-0.2 -1,-0.2 -0.997 34.3 172.8-152.1 144.6 33.7 49.6 -10.5 29 77 L E E +B 35 0B 76 6,-2.6 6,-2.7 -2,-0.3 5,-0.3 -0.781 34.5 75.3-136.0 178.5 33.9 46.0 -11.6 30 78 L G S > S- 0 0 33 3,-0.2 3,-2.0 -2,-0.2 -6,-0.1 -0.027 91.9 -66.6 97.1 158.1 33.7 44.1 -14.9 31 79 L K T 3 S+ 0 0 158 1,-0.3 -9,-0.4 2,-0.1 -1,-0.2 0.818 140.1 26.6 -49.2 -34.2 36.0 43.5 -17.8 32 80 L N T 3 S- 0 0 31 -3,-0.2 -24,-3.2 -25,-0.1 -1,-0.3 0.093 115.5-104.4-117.7 19.7 35.8 47.2 -18.6 33 81 L c S < S+ 0 0 1 -3,-2.0 -3,-0.2 -26,-0.2 -2,-0.1 0.871 83.3 131.1 59.5 36.1 35.0 48.6 -15.2 34 82 L E + 0 0 89 -5,-0.3 2,-0.2 -6,-0.1 -4,-0.2 0.632 44.9 81.1 -94.6 -16.1 31.4 49.0 -16.4 35 83 L L E S-B 29 0B 94 -6,-2.7 -6,-2.6 1,-0.0 2,-0.4 -0.630 82.9-113.4 -92.7 149.9 29.6 47.3 -13.4 36 84 L F E -B 28 0B 139 -2,-0.2 -8,-0.2 -8,-0.2 3,-0.2 -0.706 31.3-116.1 -88.1 129.1 28.9 49.1 -10.1 37 85 L T - 0 0 44 -10,-0.6 2,-0.1 -2,-0.4 -1,-0.1 -0.159 53.6 -66.1 -59.2 151.8 30.7 47.9 -7.0 38 86 L R + 0 0 56 1,-0.2 21,-1.1 8,-0.1 -1,-0.2 -0.169 67.7 149.1 -44.2 105.1 28.7 46.4 -4.1 39 87 L K + 0 0 93 19,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.487 63.6 39.3-116.5 -13.8 26.5 49.2 -2.8 40 88 L L - 0 0 93 3,-0.2 6,-0.4 1,-0.1 3,-0.3 -0.975 64.3-140.0-139.8 153.5 23.6 47.1 -1.6 41 89 L d S > S+ 0 0 14 -2,-0.3 4,-1.1 1,-0.2 5,-0.2 0.708 95.8 73.9 -83.2 -21.5 23.0 43.8 0.1 42 90 L S T 4 S+ 0 0 97 3,-0.2 2,-0.8 2,-0.2 -1,-0.2 0.790 90.1 65.2 -62.4 -29.4 20.0 42.9 -2.1 43 91 L L T >4 S- 0 0 120 -3,-0.3 3,-1.5 1,-0.2 -3,-0.2 -0.859 133.6 -27.4-101.3 106.6 22.4 42.3 -5.0 44 92 L D G >4 S- 0 0 108 -2,-0.8 3,-3.0 1,-0.3 4,-0.2 0.749 104.3 -77.9 62.9 28.9 24.6 39.3 -4.3 45 93 L N G >< S- 0 0 8 -4,-1.1 3,-1.7 1,-0.3 -1,-0.3 0.773 82.8 -69.9 53.5 24.2 24.4 39.8 -0.5 46 94 L G G < S- 0 0 0 -3,-1.5 -1,-0.3 -6,-0.4 -2,-0.2 0.719 82.2 -71.3 67.1 19.9 27.0 42.5 -1.2 47 95 L D G < S+ 0 0 43 -3,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.501 97.1 146.7 72.8 5.4 29.5 39.8 -2.0 48 96 L e < - 0 0 0 -3,-1.7 -1,-0.3 -4,-0.2 27,-0.2 -0.454 52.1-142.2 -72.9 144.5 29.6 39.0 1.7 49 97 L D S S- 0 0 60 25,-3.0 26,-0.1 -2,-0.1 -1,-0.1 0.792 86.5 -13.1 -75.5 -29.3 30.1 35.4 2.7 50 98 L Q S S+ 0 0 1 24,-0.5 13,-0.2 1,-0.4 -2,-0.1 0.038 119.6 28.0-135.2-114.3 27.6 35.8 5.5 51 99 L F E -C 62 0C 4 11,-0.7 11,-1.5 -2,-0.1 -1,-0.4 -0.216 57.7-174.6 -64.1 146.5 26.1 38.9 7.1 52 100 L d E +C 61 0C 9 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.998 13.2 154.4-143.9 137.1 25.5 42.1 5.1 53 101 L H E -C 60 0C 70 7,-1.4 7,-2.9 -2,-0.4 2,-0.5 -0.927 40.2-108.0-150.3 166.0 24.3 45.5 6.1 54 102 L E E -C 59 0C 93 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.905 25.4-172.5-110.3 128.9 24.9 48.9 4.6 55 103 L E S S- 0 0 97 3,-3.0 -2,-0.0 -2,-0.5 0, 0.0 -0.948 75.8 -14.4-121.1 111.3 27.1 51.6 6.2 56 104 L Q S S- 0 0 178 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.942 129.7 -50.5 65.4 49.1 27.1 55.0 4.7 57 105 L N S S+ 0 0 155 1,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.945 123.2 100.5 53.0 50.8 25.5 53.9 1.4 58 106 L S S S- 0 0 57 2,-0.0 -3,-3.0 0, 0.0 2,-0.3 -0.960 77.5-103.5-160.7 149.1 28.0 51.1 1.1 59 107 L V E -C 54 0C 8 -21,-1.1 2,-0.4 -2,-0.3 -5,-0.2 -0.602 31.1-172.6 -82.2 134.8 28.1 47.4 1.9 60 108 L V E -C 53 0C 45 -7,-2.9 -7,-1.4 -2,-0.3 2,-0.2 -0.983 10.2-151.3-131.3 120.3 29.8 46.1 5.0 61 109 L e E +C 52 0C 5 12,-0.6 2,-0.3 -2,-0.4 -9,-0.2 -0.532 17.8 170.7 -90.0 156.1 30.3 42.4 5.6 62 110 L S E -C 51 0C 23 -11,-1.5 -11,-0.7 -2,-0.2 -12,-0.4 -0.930 17.0-138.1-153.0 169.6 30.5 40.6 8.9 63 111 L f - 0 0 22 -2,-0.3 2,-0.1 -13,-0.2 6,-0.1 -0.793 21.7 -96.5-131.5 174.4 30.5 37.0 10.1 64 112 L A > - 0 0 7 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 -0.382 58.5 -72.1 -86.3 166.6 29.1 34.8 12.9 65 113 L R T 3 S+ 0 0 153 1,-0.3 19,-0.5 136,-0.2 -1,-0.2 -0.303 122.7 39.4 -57.8 139.8 30.9 33.9 16.1 66 114 L G T 3 S+ 0 0 24 1,-0.4 13,-2.5 17,-0.1 14,-0.6 0.499 106.3 83.6 94.8 4.5 33.7 31.4 15.3 67 115 L Y E < -D 78 0D 19 -3,-1.2 2,-0.4 11,-0.3 -1,-0.4 -0.937 62.3-149.1-136.4 157.6 34.6 33.2 12.1 68 116 L T E -D 77 0D 72 9,-1.7 9,-3.6 -2,-0.3 2,-0.4 -0.993 29.1-110.2-130.4 134.6 36.8 36.2 11.3 69 117 L L E -D 76 0D 65 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.511 40.5-123.8 -67.2 121.3 36.2 38.6 8.4 70 118 L A > - 0 0 23 5,-2.3 3,-1.4 -2,-0.4 -1,-0.1 -0.003 25.5 -99.3 -59.0 168.6 39.0 38.1 5.8 71 119 L D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.830 123.5 59.8 -60.4 -34.9 41.2 40.9 4.6 72 120 L N T 3 S- 0 0 92 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.670 109.2-128.6 -69.2 -13.8 39.1 41.3 1.5 73 121 L G S < S+ 0 0 17 -3,-1.4 -12,-0.6 2,-0.1 -2,-0.1 0.772 89.7 74.3 73.0 26.6 36.3 42.1 3.8 74 122 L K S S+ 0 0 71 -26,-0.1 -25,-3.0 -14,-0.1 -24,-0.5 0.567 77.1 70.5-130.4 -50.4 33.9 39.6 2.3 75 123 L A - 0 0 21 -27,-0.2 -5,-2.3 -26,-0.1 2,-0.5 -0.240 68.8-134.9 -73.9 162.1 34.9 36.1 3.3 76 124 L f E -D 69 0D 11 -7,-0.2 -7,-0.2 -3,-0.1 -1,-0.0 -0.981 13.8-152.4-124.0 120.2 34.6 34.6 6.7 77 125 L I E -D 68 0D 77 -9,-3.6 -9,-1.7 -2,-0.5 -14,-0.0 -0.819 17.6-125.3 -98.3 119.5 37.5 32.6 8.1 78 126 L P E -D 67 0D 62 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.334 11.9-160.0 -60.2 137.7 36.8 29.8 10.7 79 127 L T S S+ 0 0 102 -13,-2.5 -12,-0.1 3,-0.0 -13,-0.1 0.528 74.3 30.7 -94.5 -8.0 38.8 30.3 13.9 80 128 L G S S- 0 0 31 -14,-0.6 0, 0.0 1,-0.0 0, 0.0 -0.864 87.0-101.3-142.1 175.8 38.3 26.6 14.7 81 129 L P S S+ 0 0 119 0, 0.0 -1,-0.0 0, 0.0 112,-0.0 0.552 116.4 39.7 -75.1 -11.0 37.9 23.1 13.3 82 130 L Y S S+ 0 0 59 -16,-0.1 3,-0.1 6,-0.0 6,-0.1 -0.416 74.2 174.3-140.7 64.6 34.1 23.1 13.9 83 131 L P > - 0 0 16 0, 0.0 3,-1.2 0, 0.0 -17,-0.1 -0.313 43.9 -88.3 -68.8 153.3 32.6 26.6 13.1 84 132 L g T 3 S+ 0 0 14 -19,-0.5 115,-0.3 1,-0.2 -20,-0.1 -0.205 106.4 20.1 -61.1 152.9 28.8 26.9 13.3 85 133 L G T 3 S+ 0 0 0 113,-2.5 204,-2.4 1,-0.2 2,-0.6 0.469 89.4 119.8 70.0 2.1 26.7 26.1 10.3 86 134 L K < - 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