==== 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 1XKB . COMPND 2 MOLECULE: BLOOD COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KAMATA,S.H.KIM . 650 4 22 20 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 1 0.2 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 . 57 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 5 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 12 3 8 7 4 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 . 8 0 0 0 0 2 0 2 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 48 A D >> 0 0 151 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -41.8 58.2 -29.2 25.4 2 49 A Q T 34 + 0 0 72 1,-0.3 3,-0.5 2,-0.2 19,-0.1 0.918 360.0 33.7 -51.8 -42.7 55.8 -26.4 24.2 3 50 A a T >4 S+ 0 0 32 1,-0.2 3,-1.8 2,-0.2 -1,-0.3 0.473 93.5 93.0 -90.2 -6.7 54.2 -29.3 22.3 4 51 A E T <4 S+ 0 0 135 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 91.1 47.5 -54.3 -32.0 55.1 -31.8 25.0 5 52 A T T 3< S- 0 0 114 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.572 105.6-138.3 -83.7 -12.6 51.6 -30.9 26.2 6 53 A S < - 0 0 84 -3,-1.8 -3,-0.1 -5,-0.1 -2,-0.1 0.975 26.2-176.1 49.2 66.1 50.2 -31.3 22.7 7 54 A P + 0 0 25 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.601 47.7 99.2 -68.5 -13.8 48.0 -28.2 23.0 8 55 A b - 0 0 24 14,-0.1 2,-0.3 4,-0.1 3,-0.2 -0.457 55.1-161.7 -80.3 150.3 46.3 -28.7 19.6 9 56 A Q + 0 0 106 24,-2.0 3,-0.5 1,-0.2 4,-0.0 -0.808 60.8 35.1-126.9 167.0 42.9 -30.3 19.1 10 57 A N S S- 0 0 61 -2,-0.3 16,-0.3 1,-0.2 -1,-0.2 0.838 131.1 -56.6 58.8 38.4 41.0 -31.9 16.2 11 58 A Q S S+ 0 0 167 -3,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.819 94.0 156.5 65.1 33.5 44.1 -33.4 14.7 12 59 A G - 0 0 17 -3,-0.5 2,-0.6 21,-0.2 13,-0.2 -0.403 43.5-112.2 -81.7 167.8 45.8 -30.1 14.4 13 60 A K E -A 24 0A 127 11,-1.0 11,-1.5 -2,-0.1 2,-0.2 -0.880 18.6-146.0-113.3 113.1 49.6 -29.9 14.2 14 61 A a E +A 23 0A 33 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.489 19.4 178.4 -72.0 135.6 51.7 -28.4 17.0 15 62 A K - 0 0 79 7,-2.6 5,-0.1 -2,-0.2 8,-0.1 -0.729 25.5-135.5-143.4 88.2 54.8 -26.6 15.8 16 63 A X - 0 0 87 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.122 28.5-165.4 -44.0 126.4 56.9 -25.0 18.5 17 64 A G - 0 0 31 3,-3.9 -15,-0.1 0, 0.0 5,-0.1 -0.105 45.4 -50.6 -99.6-155.0 57.9 -21.6 17.3 18 65 A L S S- 0 0 176 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.919 128.0 -22.2 -43.2 -68.8 60.5 -19.1 18.5 19 66 A G S S+ 0 0 44 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.081 134.6 57.1-136.3 33.2 59.4 -19.1 22.1 20 67 A E S S- 0 0 125 -5,-0.1 -3,-3.9 2,-0.0 -1,-0.1 -0.956 77.5-114.4-162.8 143.0 55.8 -20.4 21.6 21 68 A Y - 0 0 56 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.081 27.1-151.1 -72.1 178.2 54.0 -23.4 20.1 22 69 A T - 0 0 70 -5,-0.1 -7,-2.6 11,-0.0 2,-0.5 -0.986 6.8-145.7-155.5 142.2 51.7 -23.2 17.1 23 70 A b E -A 14 0A 20 9,-0.4 2,-1.0 -2,-0.3 -9,-0.2 -0.952 3.6-158.3-115.5 123.7 48.8 -25.2 15.8 24 71 A T E -A 13 0A 74 -11,-1.5 -11,-1.0 -2,-0.5 -10,-0.1 -0.803 31.5-138.4-100.6 90.7 48.2 -25.7 12.1 25 72 A c - 0 0 40 -2,-1.0 -15,-0.1 -13,-0.2 3,-0.1 0.037 3.3-121.4 -53.2 152.7 44.5 -26.5 12.0 26 73 A L > - 0 0 75 -16,-0.3 3,-1.2 1,-0.1 2,-0.7 -0.087 57.3 -60.2 -78.1-176.0 42.7 -29.1 10.0 27 74 A E T 3 S+ 0 0 132 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 -0.610 125.6 14.1 -76.5 113.9 39.9 -28.2 7.6 28 75 A G T 3 S+ 0 0 8 -2,-0.7 10,-1.8 1,-0.4 11,-0.6 0.520 104.7 97.7 103.5 6.5 37.1 -26.4 9.5 29 76 A F E < +B 37 0B 38 -3,-1.2 -1,-0.4 8,-0.2 2,-0.2 -0.945 42.1 161.4-126.8 147.6 38.9 -25.7 12.8 30 77 A E E > +B 36 0B 93 6,-1.7 6,-2.1 -2,-0.3 5,-0.7 -0.829 21.7 83.6-149.4-172.2 40.5 -22.5 14.0 31 78 A G T > 5S- 0 0 31 -2,-0.2 3,-2.3 3,-0.2 -6,-0.1 0.009 93.0 -56.7 90.2 159.7 41.8 -20.6 17.0 32 79 A K T 3 5S+ 0 0 162 1,-0.3 -9,-0.4 2,-0.1 -1,-0.2 0.819 141.6 21.5 -39.2 -45.6 45.1 -20.9 18.8 33 80 A N T 3 5S- 0 0 37 -3,-0.2 -24,-2.0 -25,-0.1 -1,-0.3 0.114 111.8-105.2-115.0 21.7 44.5 -24.6 19.5 34 81 A c T < 5S+ 0 0 0 -3,-2.3 -3,-0.2 -26,-0.2 -2,-0.1 0.935 79.8 134.5 55.4 46.1 42.0 -25.5 16.7 35 82 A E < + 0 0 83 -5,-0.7 2,-0.3 -6,-0.1 -4,-0.2 0.338 49.7 76.7-105.6 3.6 39.3 -25.6 19.4 36 83 A L E S-B 30 0B 88 -6,-2.1 -6,-1.7 -5,-0.1 2,-0.4 -0.792 75.9-126.8-114.8 156.7 36.8 -23.5 17.4 37 84 A F E -B 29 0B 154 -2,-0.3 -8,-0.2 -8,-0.2 -9,-0.1 -0.831 7.7-160.3 -98.4 139.4 34.6 -24.4 14.4 38 85 A T S S+ 0 0 49 -10,-1.8 2,-0.5 -2,-0.4 -9,-0.1 0.672 75.7 82.8 -90.1 -19.0 34.9 -22.2 11.4 39 86 A R + 0 0 161 -11,-0.6 2,-0.4 -3,-0.1 -2,-0.1 -0.748 60.3 174.4 -88.6 121.8 31.5 -23.4 10.2 40 87 A K - 0 0 47 -2,-0.5 20,-0.2 7,-0.1 2,-0.1 -0.994 21.1-137.5-132.6 136.6 28.6 -21.6 11.8 41 88 A L > - 0 0 76 -2,-0.4 3,-2.6 1,-0.1 6,-0.8 -0.317 44.1 -84.7 -83.7 172.2 24.9 -21.9 11.1 42 89 A d T 3> S+ 0 0 23 1,-0.3 4,-0.7 4,-0.3 6,-0.1 0.703 123.6 71.3 -49.6 -23.2 22.4 -19.0 10.9 43 90 A S T 34 S+ 0 0 117 3,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.825 94.3 58.2 -65.3 -31.8 22.1 -19.2 14.7 44 91 A L T X4 S- 0 0 86 -3,-2.6 3,-2.2 1,-0.2 4,-0.2 -0.900 133.8 -25.1-108.7 116.1 25.6 -17.8 15.1 45 92 A D G >4 S- 0 0 97 -2,-0.6 3,-2.0 1,-0.3 -1,-0.2 0.733 111.9 -72.3 57.5 25.7 26.3 -14.3 13.6 46 93 A N G >< S- 0 0 10 -4,-0.7 3,-1.7 1,-0.3 -1,-0.3 0.744 82.5 -70.4 63.5 23.3 23.6 -15.0 11.1 47 94 A G G < S- 0 0 0 -3,-2.2 -1,-0.3 -6,-0.8 -2,-0.2 0.678 85.1 -70.9 67.0 15.4 25.9 -17.5 9.5 48 95 A D G < S+ 0 0 65 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.477 96.0 144.2 78.2 5.4 27.9 -14.4 8.5 49 96 A e < - 0 0 0 -3,-1.7 -1,-0.3 1,-0.1 27,-0.2 -0.428 51.6-140.1 -72.5 149.8 25.3 -13.4 5.9 50 97 A D S S- 0 0 56 25,-1.8 -1,-0.1 2,-0.1 26,-0.1 0.839 85.6 -8.3 -79.0 -33.1 24.7 -9.7 5.4 51 98 A Q S S+ 0 0 2 24,-0.4 13,-0.2 1,-0.4 -2,-0.1 0.205 120.7 22.2-127.0-112.4 20.9 -10.2 5.2 52 99 A F E -C 63 0C 5 11,-1.0 11,-2.1 10,-0.0 -1,-0.4 -0.401 59.5-173.8 -72.0 140.9 18.8 -13.4 4.9 53 100 A d E +C 62 0C 8 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.970 10.3 160.5-132.9 145.4 20.2 -16.7 6.1 54 101 A H E -C 61 0C 57 7,-1.2 7,-3.3 -2,-0.3 2,-0.3 -0.965 31.6-120.3-161.6 149.4 18.9 -20.2 5.9 55 102 A E E -C 60 0C 88 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.695 18.9-174.3 -96.1 149.6 20.3 -23.7 6.2 56 103 A E S S- 0 0 119 3,-3.3 -2,-0.0 -2,-0.3 0, 0.0 -0.763 79.2 -13.4-146.2 94.0 20.1 -26.4 3.4 57 104 A Q S S- 0 0 177 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.835 131.2 -49.8 81.3 39.8 21.4 -29.8 4.4 58 105 A N S S+ 0 0 146 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.729 121.1 111.7 71.7 22.4 23.0 -28.6 7.6 59 106 A S - 0 0 62 -18,-0.0 -3,-3.3 2,-0.0 -1,-0.2 -0.994 69.6-117.0-134.3 134.9 24.7 -25.9 5.6 60 107 A V E -C 55 0C 28 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.410 25.5-173.9 -69.6 137.9 24.1 -22.1 5.5 61 108 A V E -C 54 0C 48 -7,-3.3 -7,-1.2 -2,-0.1 2,-0.1 -0.978 10.8-154.1-135.5 116.7 22.8 -20.4 2.4 62 109 A e E +C 53 0C 10 12,-0.5 2,-0.3 -2,-0.4 -9,-0.2 -0.474 14.6 176.4 -89.7 163.4 22.7 -16.6 2.3 63 110 A S E -C 52 0C 23 -11,-2.1 -11,-1.0 -2,-0.1 -12,-0.4 -0.955 15.3-137.5-157.1 166.7 20.3 -14.4 0.3 64 111 A f - 0 0 25 -2,-0.3 4,-0.1 4,-0.2 3,-0.1 -0.910 26.7 -97.4-133.0 159.5 19.5 -10.8 -0.2 65 112 A A > - 0 0 5 -2,-0.3 3,-0.9 1,-0.1 135,-0.1 -0.365 63.0 -77.4 -70.0 153.5 16.5 -8.6 -0.6 66 113 A R T 3 S+ 0 0 187 1,-0.2 19,-0.4 135,-0.2 -1,-0.1 -0.130 122.2 46.3 -49.3 150.6 15.6 -7.7 -4.2 67 114 A G T 3 S+ 0 0 43 1,-0.3 13,-1.7 -3,-0.1 14,-0.4 0.482 102.5 88.0 89.7 3.3 17.9 -4.9 -5.6 68 115 A Y E < -D 79 0D 23 -3,-0.9 2,-0.4 11,-0.2 -1,-0.3 -0.954 61.1-153.0-133.8 151.3 20.9 -6.8 -4.1 69 116 A T E -D 78 0D 77 9,-1.9 9,-3.1 -2,-0.3 2,-0.2 -0.975 30.5-110.6-124.4 137.5 23.2 -9.5 -5.5 70 117 A L E -D 77 0D 69 -2,-0.4 7,-0.3 7,-0.2 6,-0.1 -0.509 38.3-111.0 -71.2 131.8 25.0 -11.9 -3.2 71 118 A A > - 0 0 8 5,-4.9 3,-2.2 -2,-0.2 -1,-0.1 -0.148 27.4-109.1 -57.8 156.6 28.8 -11.4 -3.1 72 119 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.741 118.4 67.0 -61.4 -22.7 30.9 -14.1 -4.7 73 120 A N T 3 S- 0 0 101 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.567 113.1-120.3 -74.7 -7.9 32.1 -15.1 -1.2 74 121 A G S < S+ 0 0 28 -3,-2.2 -12,-0.5 2,-0.2 -2,-0.1 0.555 94.9 66.0 81.4 10.0 28.5 -16.2 -0.6 75 122 A K S S+ 0 0 68 -26,-0.1 -25,-1.8 -14,-0.1 -24,-0.4 0.689 76.1 75.2-123.9 -58.5 27.8 -13.9 2.3 76 123 A A - 0 0 24 -27,-0.2 -5,-4.9 -26,-0.1 2,-0.5 -0.183 63.7-139.1 -65.1 152.9 27.8 -10.2 1.5 77 124 A f E -D 70 0D 14 -7,-0.3 -7,-0.2 -3,-0.0 -1,-0.1 -0.956 13.3-158.3-114.6 129.8 25.0 -8.4 -0.3 78 125 A I E -D 69 0D 85 -9,-3.1 -9,-1.9 -2,-0.5 2,-0.4 -0.936 17.9-127.6-113.3 121.9 25.9 -5.8 -3.0 79 126 A P E -D 68 0D 62 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.512 21.8-169.8 -68.3 120.8 23.4 -3.1 -4.0 80 127 A T + 0 0 104 -13,-1.7 -12,-0.1 -2,-0.4 -13,-0.0 0.984 63.4 44.4 -76.0 -60.9 23.1 -3.2 -7.7 81 128 A G S S- 0 0 39 -14,-0.4 0, 0.0 2,-0.1 0, 0.0 -0.132 95.9 -92.9 -79.4 178.3 21.1 -0.0 -8.5 82 129 A P S S+ 0 0 123 0, 0.0 -1,-0.0 0, 0.0 111,-0.0 0.875 112.6 31.6 -58.9 -50.1 21.4 3.6 -7.1 83 130 A Y S S- 0 0 68 6,-0.0 -2,-0.1 109,-0.0 110,-0.1 -0.622 78.1-167.6-116.7 78.5 19.1 3.6 -4.1 84 131 A P > - 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