==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING INHIBITOR 09-SEP-99 1D0D . COMPND 2 MOLECULE: ANTICOAGULANT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORNITHODOROS MOUBATA; . AUTHOR R.ST.CHARLES,K.PADMANABHAN,R.V.ARNI,K.P.PADMANABHAN, . 118 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 0 2 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 . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 1 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 . 1 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 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 1 A Y 0 0 166 0, 0.0 2,-0.5 0, 0.0 58,-0.1 0.000 360.0 360.0 360.0 135.4 12.3 31.4 8.5 2 2 A N > - 0 0 70 56,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.660 360.0-150.3 -85.0 122.5 13.0 28.2 10.6 3 3 A R G > S+ 0 0 213 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.713 92.6 77.5 -58.4 -22.1 14.9 25.4 8.8 4 4 A L G 3 S+ 0 0 45 1,-0.3 45,-0.4 43,-0.1 -1,-0.3 0.637 80.4 70.9 -65.1 -11.5 13.0 23.0 11.1 5 5 A a G < S+ 0 0 0 -3,-2.0 22,-2.8 21,-0.1 2,-0.5 0.666 86.9 76.4 -74.1 -18.3 10.0 23.5 8.9 6 6 A I S < S- 0 0 64 -3,-2.0 22,-0.1 20,-0.2 3,-0.1 -0.847 82.3-128.3-105.7 122.7 11.7 21.5 6.1 7 7 A K - 0 0 93 -2,-0.5 -2,-0.1 20,-0.4 -3,-0.0 -0.480 38.2-102.1 -67.0 132.8 11.8 17.8 6.2 8 8 A P > - 0 0 39 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.305 27.1-132.2 -56.6 136.0 15.4 16.6 5.6 9 9 A R T 3 S+ 0 0 233 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.749 100.3 56.9 -63.9 -27.7 15.7 15.3 2.0 10 10 A D T 3 S+ 0 0 100 77,-0.1 2,-0.7 2,-0.0 -1,-0.2 0.579 79.0 104.7 -82.7 -10.3 17.4 12.1 2.9 11 11 A W < + 0 0 21 -3,-1.2 3,-0.1 1,-0.2 27,-0.0 -0.613 30.9 143.4 -78.8 113.5 14.7 10.8 5.3 12 12 A I + 0 0 139 -2,-0.7 2,-0.2 1,-0.1 -1,-0.2 0.786 50.8 62.5-113.7 -51.3 12.7 8.1 3.6 13 13 A D - 0 0 117 26,-0.0 26,-0.4 1,-0.0 2,-0.3 -0.507 64.5-152.8 -82.8 147.4 11.8 5.4 6.1 14 14 A E - 0 0 103 -2,-0.2 2,-0.4 24,-0.1 24,-0.2 -0.816 5.7-145.0-113.1 159.4 9.6 6.1 9.2 15 15 A b - 0 0 20 22,-1.7 5,-0.0 -2,-0.3 21,-0.0 -0.982 15.9-120.0-129.4 137.8 9.5 4.3 12.5 16 16 A D > > - 0 0 98 -2,-0.4 5,-2.4 1,-0.1 3,-2.3 -0.273 29.4-111.2 -71.1 156.7 6.7 3.5 14.8 17 17 A S G > 5S+ 0 0 84 1,-0.3 3,-1.7 3,-0.2 -1,-0.1 0.831 116.4 65.7 -58.0 -29.8 6.6 4.8 18.4 18 18 A N G 3 5S+ 0 0 137 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.602 105.1 44.5 -72.4 -6.7 7.1 1.2 19.6 19 19 A E G < 5S- 0 0 103 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.2 -0.045 134.3 -84.4-120.9 29.8 10.5 1.2 18.0 20 20 A G T < 5S+ 0 0 37 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.516 75.0 155.7 86.8 3.2 11.5 4.7 19.2 21 21 A G < - 0 0 8 -5,-2.4 2,-0.4 18,-0.1 -1,-0.2 -0.346 26.8-155.9 -64.9 145.3 9.9 6.8 16.5 22 22 A E E -A 38 0A 116 16,-1.4 16,-2.7 14,-0.0 2,-0.3 -0.992 16.5-123.8-125.1 130.6 9.0 10.4 17.4 23 23 A R E +A 37 0A 124 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.577 34.5 170.3 -80.0 128.8 6.3 12.3 15.6 24 24 A A E -A 36 0A 2 12,-2.4 12,-2.3 -2,-0.3 2,-0.4 -0.890 24.6-134.6-129.4 161.1 7.3 15.7 13.9 25 25 A Y E +A 35 0A 28 24,-2.0 24,-0.4 -2,-0.3 2,-0.3 -0.988 23.0 179.3-123.7 134.4 5.4 17.9 11.5 26 26 A F E -A 34 0A 5 8,-2.2 8,-2.2 -2,-0.4 -20,-0.2 -0.892 37.3 -91.4-127.3 156.0 6.9 19.5 8.4 27 27 A R E -A 33 0A 107 -22,-2.8 -20,-0.4 -2,-0.3 6,-0.3 -0.313 29.6-158.9 -63.3 151.6 5.6 21.7 5.7 28 28 A N - 0 0 52 4,-2.3 5,-0.1 -22,-0.1 -1,-0.1 0.501 33.7-116.1-113.6 -0.9 4.2 19.8 2.7 29 29 A G S S+ 0 0 70 3,-0.5 4,-0.1 1,-0.0 -2,-0.1 0.588 98.4 86.8 78.5 9.6 4.3 22.4 -0.1 30 30 A K S S- 0 0 191 2,-0.2 3,-0.1 0, 0.0 -1,-0.0 -0.099 117.8 -80.4-130.7 32.9 0.5 22.4 -0.5 31 31 A G S S+ 0 0 49 1,-0.3 2,-0.2 25,-0.0 29,-0.1 0.526 106.2 57.3 83.2 5.7 -0.4 25.0 2.1 32 32 A G S S- 0 0 5 27,-0.1 -4,-2.3 -6,-0.0 -3,-0.5 -0.643 75.4-101.6-144.8-161.5 -0.2 22.7 5.1 33 33 A c E -A 27 0A 3 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.936 21.7-156.8-130.4 157.3 1.9 20.3 7.2 34 34 A D E -A 26 0A 98 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.1 -0.958 22.7-110.8-133.0 152.5 2.1 16.6 7.4 35 35 A S E -A 25 0A 57 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.458 27.6-172.8 -80.5 152.5 3.3 14.3 10.2 36 36 A F E -A 24 0A 13 -12,-2.3 -12,-2.4 -2,-0.1 2,-0.9 -0.966 19.7-139.9-145.7 128.8 6.5 12.2 9.9 37 37 A W E -A 23 0A 81 -2,-0.3 -22,-1.7 -14,-0.2 2,-0.3 -0.801 26.3-143.8 -95.0 106.2 7.6 9.5 12.4 38 38 A I E -A 22 0A 2 -16,-2.7 -16,-1.4 -2,-0.9 -24,-0.1 -0.535 6.9-129.9 -77.3 128.8 11.4 9.9 12.8 39 39 A b >> - 0 0 13 -26,-0.4 4,-1.7 -2,-0.3 3,-1.6 -0.470 20.9-120.6 -73.9 139.9 13.6 6.9 13.3 40 40 A P T 34 S+ 0 0 71 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.875 112.4 53.2 -48.5 -41.6 16.1 7.0 16.2 41 41 A E T 34 S+ 0 0 194 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.688 112.1 44.1 -75.2 -13.6 19.0 6.6 13.8 42 42 A D T <4 S+ 0 0 63 -3,-1.6 -1,-0.2 -31,-0.0 -31,-0.0 0.680 88.5 110.2 -96.5 -22.6 18.0 9.4 11.6 43 43 A H < - 0 0 43 -4,-1.7 -4,-0.0 -3,-0.2 0, 0.0 -0.186 51.6-160.7 -61.3 141.7 17.1 11.9 14.3 44 44 A T - 0 0 94 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.530 43.4-112.7 -96.7 -11.6 19.4 15.0 14.8 45 45 A G S S+ 0 0 60 1,-0.3 -2,-0.1 0, 0.0 2,-0.0 0.409 70.8 142.3 91.3 -0.2 18.3 15.7 18.3 46 46 A A - 0 0 32 1,-0.1 2,-1.4 -42,-0.0 -1,-0.3 -0.259 62.4-112.2 -71.7 158.0 16.6 18.9 17.2 47 47 A D - 0 0 152 -3,-0.1 3,-0.1 -23,-0.0 -1,-0.1 -0.637 44.4-172.6 -96.5 80.2 13.3 20.1 18.7 48 48 A Y - 0 0 32 -2,-1.4 2,-0.2 1,-0.2 -43,-0.1 -0.171 40.4 -76.8 -64.4 161.0 11.1 19.7 15.6 49 49 A Y - 0 0 42 -24,-0.4 -24,-2.0 -45,-0.4 -1,-0.2 -0.467 44.4-167.2 -64.2 127.7 7.5 21.0 15.6 50 50 A S + 0 0 80 -2,-0.2 2,-0.3 -26,-0.2 -1,-0.1 0.332 63.3 46.4-103.1 6.8 5.5 18.4 17.6 51 51 A S S > S- 0 0 35 -26,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.982 77.8-122.6-143.9 154.7 2.0 19.5 16.7 52 52 A Y H > S+ 0 0 108 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.911 112.6 56.1 -62.0 -44.0 0.2 20.4 13.5 53 53 A R H > S+ 0 0 179 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.891 106.1 48.7 -54.4 -46.2 -0.7 23.8 14.9 54 54 A D H > S+ 0 0 70 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.902 114.9 45.4 -65.1 -41.7 2.9 24.7 15.7 55 55 A c H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.941 113.8 49.1 -66.7 -45.0 4.1 23.7 12.2 56 56 A F H X S+ 0 0 83 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.924 112.9 47.1 -62.0 -43.3 1.1 25.5 10.5 57 57 A N H < S+ 0 0 116 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.769 122.0 34.7 -70.0 -27.6 1.7 28.7 12.5 58 58 A A H < S+ 0 0 44 -4,-1.5 -56,-0.3 -5,-0.2 -2,-0.2 0.756 124.5 34.4 -98.5 -25.3 5.4 28.8 11.8 59 59 A a H < 0 0 8 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.590 360.0 360.0-111.8 -10.6 5.9 27.4 8.4 60 60 A I < 0 0 114 -4,-1.3 -27,-0.0 -5,-0.4 -28,-0.0 -0.844 360.0 360.0-115.6 360.0 3.0 28.4 6.2 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 1 B R 0 0 111 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 155.2 31.5 25.0 2.7 63 2 B P > - 0 0 40 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.238 360.0-124.9 -57.5 144.2 33.1 24.5 -0.8 64 3 B D G > S+ 0 0 134 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.777 106.0 68.4 -62.8 -29.4 30.8 22.7 -3.2 65 4 B F G > S+ 0 0 46 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.771 87.6 69.6 -65.0 -19.1 33.4 20.1 -4.0 66 5 B d G < S+ 0 0 0 -3,-1.3 20,-0.3 1,-0.2 -1,-0.3 0.692 93.0 57.6 -69.0 -18.2 32.9 18.8 -0.4 67 6 B L G < S+ 0 0 89 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.436 85.8 102.8 -93.7 1.1 29.4 17.6 -1.4 68 7 B E S < S- 0 0 101 -3,-1.3 18,-0.1 -4,-0.2 16,-0.1 -0.522 79.5-103.7 -84.9 149.6 30.6 15.3 -4.2 69 8 B P - 0 0 92 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.282 49.2 -87.2 -66.5 159.1 30.9 11.5 -3.9 70 9 B P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.383 40.2-143.3 -68.1 148.1 34.4 10.1 -3.3 71 10 B Y - 0 0 90 33,-0.3 31,-0.3 1,-0.2 26,-0.2 -0.903 20.3-178.3-121.2 107.0 36.3 9.3 -6.5 72 11 B T - 0 0 61 -2,-0.6 25,-2.7 24,-0.2 27,-0.4 0.913 36.9-157.1 -69.1 -40.8 38.5 6.2 -6.7 73 12 B G - 0 0 20 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.109 30.0 -62.7 91.0 172.2 39.6 7.0 -10.2 74 13 B P S S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.454 100.5 90.8 -79.7 -1.1 41.1 5.0 -13.1 75 14 B e S S- 0 0 55 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.423 71.3-132.3 -93.7 170.8 44.3 3.8 -11.4 76 15 B K + 0 0 197 -2,-0.1 22,-0.2 22,-0.1 21,-0.1 0.332 58.1 120.7-109.6 9.8 44.7 0.6 -9.4 77 16 B A - 0 0 47 20,-2.4 2,-0.5 1,-0.1 22,-0.1 -0.184 57.8-134.5 -65.7 165.3 46.5 1.6 -6.2 78 17 B R + 0 0 219 19,-0.1 2,-0.5 20,-0.1 19,-0.2 -0.760 41.6 156.5-125.9 80.7 44.9 0.9 -2.9 79 18 B I E -B 96 0B 58 17,-2.2 17,-3.6 -2,-0.5 2,-0.5 -0.941 37.2-136.2-112.6 124.9 45.4 4.1 -0.9 80 19 B I E +B 95 0B 106 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.677 34.0 167.7 -81.9 125.7 43.1 5.1 2.0 81 20 B R E -B 94 0B 49 13,-2.4 13,-1.9 -2,-0.5 2,-0.3 -0.834 31.4-112.7-128.5 169.9 42.1 8.7 1.8 82 21 B Y E -BC 93 106B 74 24,-3.1 24,-2.8 -2,-0.3 2,-0.3 -0.816 28.3-179.8-106.7 146.7 39.5 10.9 3.6 83 22 B F E -B 92 0B 18 9,-2.4 9,-2.6 -2,-0.3 2,-0.6 -0.968 33.1-111.1-138.6 151.9 36.5 12.5 2.0 84 23 B Y E -B 91 0B 9 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.766 24.1-153.7 -87.6 124.1 33.8 14.6 3.6 85 24 B N E >>> -B 90 0B 37 5,-2.5 4,-2.7 -2,-0.6 5,-1.0 -0.875 4.8-165.3 -97.7 104.5 30.4 12.8 3.7 86 25 B A T 345S+ 0 0 38 -2,-0.8 -1,-0.1 -20,-0.3 -19,-0.1 0.765 85.3 58.9 -62.0 -29.0 27.8 15.6 3.7 87 26 B K T 345S+ 0 0 155 1,-0.2 -1,-0.2 -3,-0.1 -77,-0.1 0.864 116.7 33.5 -69.6 -35.6 25.0 13.3 4.7 88 27 B A T <45S- 0 0 54 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.781 102.0-128.6 -91.2 -29.4 26.9 12.4 7.9 89 28 B G T <5S+ 0 0 35 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.658 75.4 72.2 91.5 12.9 28.6 15.7 8.6 90 29 B L E S- 0 0 45 1,-0.1 4,-1.9 -26,-0.1 5,-0.1 -0.992 73.0-129.3-140.7 149.0 44.3 13.3 7.0 109 48 B A H > S+ 0 0 34 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.863 108.4 56.3 -63.9 -36.2 41.0 13.6 8.8 110 49 B E H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 107.7 46.5 -61.6 -44.3 42.0 17.0 10.4 111 50 B D H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 111.9 52.6 -66.9 -38.8 42.7 18.6 7.0 112 51 B f H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.914 111.1 45.5 -63.2 -44.6 39.5 17.2 5.7 113 52 B M H X S+ 0 0 79 -4,-2.5 4,-2.2 3,-0.2 5,-0.5 0.886 111.3 52.7 -69.3 -35.0 37.5 18.7 8.6 114 53 B R H < S+ 0 0 164 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.917 117.4 38.5 -63.8 -43.6 39.3 22.1 8.3 115 54 B T H < S+ 0 0 17 -4,-2.2 -2,-0.2 -5,-0.1 4,-0.2 0.910 136.9 13.4 -74.2 -44.0 38.5 22.3 4.6 116 55 B d H < S+ 0 0 0 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.532 100.5 88.3-113.9 -11.6 34.9 20.9 4.6 117 56 B G S < S- 0 0 23 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.911 121.1 -26.5 -56.9 -47.3 33.6 20.7 8.2 118 57 B G 0 0 66 -5,-0.5 -1,-0.1 -4,-0.3 -2,-0.1 0.241 360.0 360.0-156.0 18.0 32.2 24.2 8.2 119 58 B A 0 0 92 -6,-0.2 -4,-0.1 -4,-0.2 -3,-0.1 0.257 360.0 360.0 -63.6 360.0 34.1 26.4 5.7