==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTI-COAGULANT 14-OCT-98 1BX7 . COMPND 2 MOLECULE: HIRUSTASIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS; . AUTHOR I.USON,G.M.SHELDRICK,E.DE LA FORTELLE,G.BRICOGNE,S.DI MARCO, . 51 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 37.3 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 . 9 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 3.9 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 . 6 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 9.8 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 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 . 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A G 0 0 129 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.7 47.3 -12.4 -24.6 2 4 A N - 0 0 158 1,-0.1 2,-0.1 3,-0.0 5,-0.0 -0.310 360.0-136.3 -78.5 149.7 46.8 -10.6 -21.3 3 5 A T - 0 0 62 -2,-0.1 2,-0.8 5,-0.1 5,-0.2 -0.481 31.1-102.2 -82.0-175.9 46.7 -6.9 -20.9 4 6 A a B > S-A 7 0A 10 3,-3.3 3,-1.8 1,-0.2 16,-0.4 -0.905 96.2 -29.6-108.4 101.8 48.6 -5.4 -18.0 5 7 A G T 3 S- 0 0 62 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.814 126.0 -51.6 55.5 30.3 46.0 -4.5 -15.4 6 8 A G T 3 S+ 0 0 49 1,-0.3 2,-0.3 13,-0.0 -1,-0.3 0.455 123.7 94.6 88.5 1.4 43.6 -4.1 -18.4 7 9 A E B < S-A 4 0A 132 -3,-1.8 -3,-3.3 -5,-0.0 2,-0.6 -0.831 74.2-120.1-124.0 158.9 45.9 -1.7 -20.3 8 10 A T - 0 0 124 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.1 -0.892 30.5-135.4 -96.7 124.5 48.5 -2.1 -23.0 9 11 A b - 0 0 34 -2,-0.6 6,-0.1 1,-0.1 13,-0.0 -0.552 19.3-125.0 -78.0 142.4 51.9 -0.9 -22.0 10 12 A S > - 0 0 48 -2,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.204 34.2 -92.5 -75.6 173.5 53.8 1.2 -24.4 11 13 A A T 3 S+ 0 0 95 1,-0.3 -1,-0.1 33,-0.0 -2,-0.1 0.761 128.2 53.8 -58.7 -31.5 57.3 0.4 -25.6 12 14 A A T 3 S+ 0 0 7 32,-0.2 11,-2.6 30,-0.1 -1,-0.3 0.580 103.7 72.0 -72.5 -17.8 58.8 2.6 -22.9 13 15 A Q E < -B 22 0B 30 -3,-1.6 2,-0.3 9,-0.3 9,-0.2 -0.629 61.1-158.1-105.0 162.2 56.8 0.7 -20.1 14 16 A V E -B 21 0B 38 7,-2.7 7,-2.5 -2,-0.2 2,-0.7 -0.977 26.6-116.0-132.1 150.7 57.0 -2.7 -18.5 15 17 A a E +B 20 0B 60 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.814 40.6 170.9 -93.1 111.3 54.2 -4.6 -16.7 16 18 A L E > -B 19 0B 97 3,-2.6 3,-1.5 -2,-0.7 -2,-0.1 -0.998 68.1 -12.7-124.9 128.5 55.2 -5.0 -13.1 17 19 A K T 3 S- 0 0 221 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.831 130.1 -54.1 49.2 40.6 52.8 -6.4 -10.5 18 20 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 -15,-0.0 -1,-0.3 0.598 117.8 99.3 72.1 21.3 50.0 -5.9 -12.9 19 21 A K E < S-B 16 0B 66 -3,-1.5 -3,-2.6 -5,-0.1 2,-0.5 -0.995 73.5-118.1-133.1 145.4 50.5 -2.2 -13.7 20 22 A b E +B 15 0B 25 -2,-0.4 2,-0.3 -16,-0.4 -5,-0.2 -0.677 43.9 168.5 -76.5 124.7 52.3 -0.5 -16.6 21 23 A V E -B 14 0B 57 -7,-2.5 -7,-2.7 -2,-0.5 2,-0.1 -0.915 42.4 -90.4-132.5 155.7 55.2 1.5 -15.3 22 24 A c E -B 13 0B 49 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.487 46.0-122.5 -65.3 137.2 58.1 3.2 -17.0 23 25 A N - 0 0 84 -11,-2.6 20,-0.2 1,-0.2 -1,-0.1 -0.191 46.6 -68.2 -69.0 172.1 61.1 0.9 -17.4 24 26 A E - 0 0 145 1,-0.1 2,-0.5 -11,-0.0 -1,-0.2 -0.256 55.1-122.1 -59.7 152.4 64.4 1.8 -15.9 25 27 A V + 0 0 63 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.906 35.8 164.6-108.5 125.2 66.1 4.8 -17.5 26 28 A H + 0 0 149 -2,-0.5 2,-0.4 17,-0.2 20,-0.1 -0.899 12.1 159.4-139.2 100.4 69.5 4.6 -19.0 27 29 A d - 0 0 36 -2,-0.4 -2,-0.0 1,-0.1 8,-0.0 -0.992 25.8-166.3-126.4 131.2 70.4 7.5 -21.3 28 30 A R + 0 0 203 -2,-0.4 -1,-0.1 2,-0.1 0, 0.0 0.790 58.9 102.7 -84.4 -30.4 73.9 8.6 -22.3 29 31 A I - 0 0 76 1,-0.1 2,-0.6 2,-0.0 -2,-0.1 -0.263 64.5-141.8 -58.9 142.9 73.0 12.0 -23.7 30 32 A R - 0 0 194 18,-0.0 2,-0.4 4,-0.0 18,-0.1 -0.935 25.0-170.5-108.7 116.7 73.6 15.0 -21.6 31 33 A e > - 0 0 30 -2,-0.6 3,-1.6 1,-0.1 4,-0.1 -0.927 30.7-137.8-122.3 137.6 70.9 17.6 -22.0 32 34 A K T 3 S+ 0 0 172 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.771 110.4 26.4 -63.5 -29.7 70.5 21.2 -20.8 33 35 A Y T 3 S- 0 0 124 1,-0.5 -1,-0.3 16,-0.3 18,-0.2 0.012 115.8-113.9-118.9 22.9 66.9 20.7 -19.8 34 36 A G < - 0 0 33 -3,-1.6 15,-2.9 14,-0.1 -1,-0.5 -0.232 56.6 -27.9 74.9-169.0 67.0 17.0 -19.1 35 37 A L B -C 48 0C 46 13,-0.3 13,-0.3 -3,-0.1 2,-0.2 -0.531 62.1-107.1 -88.1 153.5 65.3 14.2 -21.0 36 38 A K - 0 0 83 11,-3.0 2,-0.4 -2,-0.2 11,-0.2 -0.518 32.5-145.1 -75.4 137.4 62.0 14.4 -23.0 37 39 A K - 0 0 131 -2,-0.2 6,-0.2 6,-0.1 5,-0.1 -0.839 4.0-139.3-103.8 141.2 59.0 12.7 -21.4 38 40 A D > - 0 0 39 4,-2.4 3,-1.9 -2,-0.4 -1,-0.0 -0.168 46.8 -80.4 -81.8-174.9 56.3 10.9 -23.2 39 41 A E T 3 S+ 0 0 188 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.612 133.4 49.3 -70.9 -9.2 52.6 11.2 -22.2 40 42 A N T 3 S- 0 0 100 2,-0.1 -1,-0.3 -19,-0.0 -18,-0.2 0.354 122.3-104.2 -99.9 -0.7 53.1 8.7 -19.4 41 43 A G S < S+ 0 0 18 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.427 73.3 142.8 95.0 -1.7 56.2 10.4 -18.1 42 44 A c - 0 0 2 -5,-0.1 -4,-2.4 1,-0.1 2,-0.7 -0.472 48.4-142.9 -83.3 148.8 58.6 7.9 -19.5 43 45 A E + 0 0 50 -20,-0.2 -17,-0.2 -6,-0.2 -6,-0.1 -0.615 47.4 146.3-106.2 62.6 62.0 8.9 -20.9 44 46 A Y + 0 0 142 -2,-0.7 2,-0.2 1,-0.2 -32,-0.2 -0.970 55.8 33.0-153.3 129.2 62.3 6.4 -23.8 45 47 A P S S- 0 0 96 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.722 104.1-112.4 -63.7 158.8 63.6 6.7 -26.4 46 48 A d + 0 0 52 -2,-0.2 2,-0.3 -20,-0.1 -2,-0.1 -0.609 55.5 147.1 -67.7 122.4 66.3 9.0 -25.0 47 49 A S - 0 0 48 -2,-0.5 -11,-3.0 -11,-0.2 2,-0.3 -0.976 49.8-101.7-149.4 153.2 65.9 12.6 -26.4 48 50 A e B -C 35 0C 56 -2,-0.3 -13,-0.3 -13,-0.3 -14,-0.1 -0.634 40.9-115.1 -77.8 136.9 66.6 16.1 -24.9 49 51 A A - 0 0 25 -15,-2.9 -16,-0.3 -2,-0.3 -13,-0.1 -0.354 11.2-132.4 -67.2 146.1 63.6 18.0 -23.6 50 52 A K 0 0 183 -2,-0.1 -1,-0.1 -17,-0.1 -16,-0.1 0.788 360.0 360.0 -68.3 -29.7 62.7 21.2 -25.3 51 53 A A 0 0 103 -18,-0.2 -2,-0.0 -19,-0.0 -17,-0.0 0.448 360.0 360.0 107.6 360.0 62.3 23.0 -21.9