==== 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 1BX8 . 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, . 49 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 38.8 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 . 7 14.3 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 4.1 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 . 7 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.2 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+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 . 1 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 5 A T 0 0 161 0, 0.0 2,-0.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 164.8 48.3 -7.3 -21.7 2 6 A a - 0 0 5 3,-2.9 3,-0.5 1,-0.1 16,-0.3 -0.835 360.0 -48.2-110.8 89.9 49.5 -5.6 -18.6 3 7 A G S S- 0 0 62 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.897 119.3 -36.4 60.1 36.9 46.6 -5.2 -16.2 4 8 A G S S+ 0 0 76 1,-0.3 2,-0.3 13,-0.0 -1,-0.3 0.716 127.1 84.5 91.7 4.7 44.1 -3.9 -18.6 5 9 A E S S- 0 0 88 -3,-0.5 -3,-2.9 2,-0.0 2,-0.5 -0.987 71.6-127.6-144.4 155.6 46.6 -1.8 -20.5 6 10 A T - 0 0 129 -2,-0.3 2,-0.3 -5,-0.2 12,-0.1 -0.913 30.9-136.5 -99.2 127.3 49.2 -2.0 -23.3 7 11 A b - 0 0 34 -2,-0.5 6,-0.1 1,-0.1 2,-0.0 -0.649 18.0-124.8 -83.2 141.7 52.6 -0.8 -22.2 8 12 A S > - 0 0 48 -2,-0.3 3,-1.9 1,-0.1 -1,-0.1 -0.227 34.1 -93.8 -72.9 175.9 54.5 1.4 -24.7 9 13 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.691 126.8 56.3 -62.5 -29.1 58.0 0.5 -25.8 10 14 A A T 3 S+ 0 0 7 32,-0.1 11,-2.2 30,-0.0 -1,-0.3 0.491 103.5 69.2 -74.3 -16.5 59.4 2.8 -23.0 11 15 A Q E < -A 20 0A 34 -3,-1.9 2,-0.3 9,-0.3 9,-0.2 -0.658 61.8-154.7-110.2 167.8 57.6 0.8 -20.3 12 16 A V E -A 19 0A 42 7,-2.6 7,-2.4 -2,-0.2 2,-0.8 -0.957 25.8-116.5-136.3 148.4 57.7 -2.6 -18.8 13 17 A a E +A 18 0A 61 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.862 41.2 167.7 -91.6 108.2 55.0 -4.6 -17.0 14 18 A L E > S-A 17 0A 102 3,-2.3 3,-1.2 -2,-0.8 -2,-0.1 -0.998 70.3 -12.2-124.3 125.3 56.0 -5.1 -13.4 15 19 A K T 3 S- 0 0 212 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.906 128.9 -55.4 52.7 40.2 53.5 -6.4 -10.9 16 20 A G T 3 S+ 0 0 42 1,-0.2 2,-0.4 -15,-0.1 -1,-0.3 0.674 116.8 98.6 70.2 20.3 50.7 -5.8 -13.3 17 21 A K E < S-A 14 0A 63 -3,-1.2 -3,-2.3 -5,-0.0 2,-0.6 -0.995 73.7-118.2-137.4 145.9 51.3 -2.2 -14.0 18 22 A b E +A 13 0A 18 -2,-0.4 2,-0.3 -16,-0.3 -5,-0.2 -0.739 42.3 169.4 -77.9 122.8 53.0 -0.4 -16.9 19 23 A V E -A 12 0A 62 -7,-2.4 -7,-2.6 -2,-0.6 2,-0.1 -0.943 41.4 -91.2-127.6 158.1 56.0 1.6 -15.5 20 24 A c E -A 11 0A 51 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.386 46.4-120.7 -64.3 141.7 58.9 3.3 -17.2 21 25 A N - 0 0 88 -11,-2.2 20,-0.2 1,-0.2 -1,-0.1 -0.189 44.2 -70.7 -72.0 166.4 61.9 1.1 -17.6 22 26 A E - 0 0 147 1,-0.1 2,-0.5 -11,-0.0 -1,-0.2 -0.268 53.0-126.0 -59.3 151.7 65.3 1.9 -16.1 23 27 A V + 0 0 60 -3,-0.1 2,-0.4 2,-0.0 19,-0.1 -0.911 34.5 164.8-111.0 123.6 67.0 4.9 -17.8 24 28 A H + 0 0 146 -2,-0.5 2,-0.4 0, 0.0 20,-0.1 -0.915 13.5 159.1-137.9 98.9 70.5 4.7 -19.2 25 29 A d - 0 0 37 -2,-0.4 -2,-0.0 1,-0.1 8,-0.0 -0.996 26.5-165.8-125.6 131.4 71.4 7.6 -21.5 26 30 A R + 0 0 206 -2,-0.4 -1,-0.1 2,-0.1 0, 0.0 0.767 58.4 104.2 -86.9 -27.8 74.9 8.7 -22.3 27 31 A I - 0 0 78 1,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.252 63.3-143.1 -59.1 143.0 74.0 12.1 -23.9 28 32 A R - 0 0 201 18,-0.0 2,-0.4 4,-0.0 18,-0.1 -0.943 24.5-172.5-109.8 116.7 74.6 15.2 -21.7 29 33 A e > - 0 0 29 -2,-0.5 3,-1.6 1,-0.1 4,-0.1 -0.949 32.1-133.9-124.4 135.7 71.9 17.8 -22.2 30 34 A K T 3 S+ 0 0 133 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.805 111.6 26.4 -56.5 -37.1 71.4 21.4 -21.0 31 35 A Y T 3 S- 0 0 138 1,-0.4 -1,-0.3 16,-0.3 18,-0.2 0.032 114.0-117.6-113.6 23.9 67.8 20.8 -20.0 32 36 A G < - 0 0 33 -3,-1.6 15,-2.7 15,-0.1 -1,-0.4 -0.273 56.0 -22.5 68.3-170.1 68.1 17.0 -19.3 33 37 A L B -B 46 0B 49 13,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.548 61.6-110.9 -85.0 152.3 66.2 14.3 -21.1 34 38 A K - 0 0 83 11,-2.7 2,-0.3 -2,-0.2 11,-0.2 -0.541 29.2-145.9 -78.3 137.6 62.9 14.4 -23.0 35 39 A K - 0 0 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.810 5.5-137.9-101.6 139.8 59.9 12.8 -21.5 36 40 A D > - 0 0 41 4,-2.3 3,-1.6 -2,-0.3 -1,-0.1 -0.174 47.4 -80.1 -80.1-174.0 57.1 11.0 -23.5 37 41 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.712 133.0 49.8 -73.6 -13.1 53.5 11.5 -22.5 38 42 A N T 3 S- 0 0 102 2,-0.1 -1,-0.3 -19,-0.0 -18,-0.1 0.500 122.5-103.4 -92.3 -3.2 53.8 8.9 -19.7 39 43 A G S < S+ 0 0 20 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.363 73.4 142.9 99.3 -3.8 56.9 10.6 -18.3 40 44 A c - 0 0 1 1,-0.1 -4,-2.3 -5,-0.1 2,-0.9 -0.484 49.3-141.2 -82.7 145.2 59.4 8.1 -19.6 41 45 A E + 0 0 50 -20,-0.2 -6,-0.2 -6,-0.2 -1,-0.1 -0.517 48.7 149.5-101.6 62.1 62.8 9.1 -20.9 42 46 A Y + 0 0 138 -2,-0.9 2,-0.2 1,-0.1 -32,-0.1 -0.976 53.2 30.0-147.2 135.8 63.0 6.7 -23.8 43 47 A P S S- 0 0 92 0, 0.0 2,-0.5 0, 0.0 -9,-0.1 0.706 102.4-110.5 -65.8 164.2 64.4 6.9 -26.4 44 48 A d + 0 0 54 -2,-0.2 2,-0.3 -20,-0.1 -2,-0.1 -0.580 57.8 143.6 -65.5 123.0 67.2 9.1 -25.1 45 49 A S - 0 0 48 -2,-0.5 -11,-2.7 -11,-0.2 2,-0.3 -0.981 52.1 -97.9-153.5 155.3 66.9 12.7 -26.5 46 50 A e B -B 33 0B 60 -2,-0.3 -13,-0.3 -13,-0.2 -14,-0.1 -0.587 40.9-119.2 -74.7 135.5 67.6 16.2 -25.1 47 51 A A - 0 0 20 -15,-2.7 -16,-0.3 -2,-0.3 -13,-0.1 -0.298 14.2-125.6 -70.2 151.9 64.5 18.0 -23.8 48 52 A K 0 0 178 1,-0.2 -1,-0.1 -18,-0.1 -16,-0.1 0.840 360.0 360.0 -74.4 -27.1 63.6 21.3 -25.4 49 53 A A 0 0 103 -18,-0.2 -1,-0.2 -19,-0.0 -18,-0.1 -0.998 360.0 360.0-168.3 360.0 63.7 23.1 -22.1