==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING/ANTITUMOR PROTEIN 18-JAN-08 3C05 . COMPND 2 MOLECULE: DISINTEGRIN ACOSTATIN ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: AGKISTRODON CONTORTRIX CONTORTRIX; . AUTHOR N.MOISEEVA,R.BAU,M.ALLAIRE . 232 4 20 16 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 37.1 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 . 40 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 4 1.7 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 . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 0 12 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 ANTIPARALLEL BRIDGES PER LADDER . 12 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 N > 0 0 80 0, 0.0 3,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 111.2 40.9 60.8 10.0 2 6 A P T 3 + 0 0 108 0, 0.0 10,-0.1 0, 0.0 13,-0.1 0.744 360.0 59.0 -63.6 -18.8 37.2 61.6 9.6 3 7 A a T 3 S+ 0 0 8 15,-0.2 9,-2.0 64,-0.1 2,-0.4 0.609 103.1 56.3 -82.9 -14.7 36.4 58.2 11.1 4 8 A b E < S-A 11 0A 9 -3,-1.5 2,-0.9 7,-0.3 7,-0.2 -0.970 70.3-138.3-128.3 134.9 38.1 58.9 14.5 5 9 A D E >>> -A 10 0A 69 5,-3.1 4,-2.7 -2,-0.4 5,-0.7 -0.818 18.3-160.8 -85.1 107.5 37.8 61.6 17.2 6 10 A A T 345S+ 0 0 40 -2,-0.9 -1,-0.2 1,-0.2 58,-0.1 0.745 86.3 60.2 -64.0 -25.2 41.5 62.1 18.0 7 11 A A T 345S+ 0 0 51 1,-0.1 -1,-0.2 3,-0.1 57,-0.1 0.873 123.9 16.5 -65.4 -41.5 40.6 63.7 21.3 8 12 A T T <45S- 0 0 26 -3,-0.7 71,-0.3 2,-0.2 -2,-0.2 0.505 93.5-127.1-112.9 -14.9 38.8 60.6 22.7 9 13 A c T <5 + 0 0 2 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.830 68.6 129.4 57.4 34.8 40.0 57.8 20.4 10 14 A K E < -A 5 0A 114 -5,-0.7 -5,-3.1 61,-0.1 -1,-0.3 -0.868 69.4 -97.1-110.2 150.8 36.4 56.9 19.7 11 15 A L E -A 4 0A 44 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.384 46.6-109.6 -61.5 142.7 34.8 56.4 16.3 12 16 A T > - 0 0 33 -9,-2.0 3,-2.3 1,-0.2 -1,-0.1 -0.299 50.0 -74.2 -73.2 158.3 33.0 59.6 15.1 13 17 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.310 123.2 18.9 -59.0 135.8 29.2 59.5 15.0 14 18 A G T 3 S+ 0 0 53 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.153 97.6 124.0 91.2 -17.9 27.9 57.4 12.1 15 19 A S < + 0 0 21 -3,-2.3 -1,-0.3 1,-0.1 12,-0.2 -0.610 34.8 177.6 -82.4 133.5 31.3 55.7 11.8 16 20 A Q S S+ 0 0 78 10,-3.4 2,-0.3 -2,-0.4 11,-0.2 0.666 71.2 9.4-101.8 -24.0 31.5 51.9 11.9 17 21 A d - 0 0 8 9,-1.6 -1,-0.3 34,-0.1 3,-0.1 -0.972 50.5-151.0-154.2 157.3 35.2 51.5 11.3 18 22 A A S S- 0 0 16 1,-0.3 2,-0.3 -2,-0.3 -15,-0.2 0.589 80.0 -6.5-107.3 -17.6 38.3 53.6 11.1 19 23 A E S S+ 0 0 78 50,-0.2 -1,-0.3 -16,-0.1 3,-0.1 -0.937 74.4 106.6-163.6 171.3 40.5 51.5 8.7 20 24 A G S > S- 0 0 36 -2,-0.3 3,-1.8 3,-0.1 33,-0.2 -0.223 70.5 -91.9 124.5 155.5 40.5 48.1 6.9 21 25 A L T 3 S+ 0 0 100 1,-0.3 32,-0.2 -2,-0.1 -1,-0.1 0.743 128.2 49.6 -67.0 -22.2 40.1 46.6 3.5 22 26 A e T 3 S+ 0 0 0 30,-2.4 7,-3.1 -3,-0.1 2,-0.4 0.086 95.6 90.5-105.9 23.9 36.4 46.2 4.3 23 27 A d E < +B 28 0B 23 -3,-1.8 2,-0.4 29,-0.4 5,-0.2 -0.972 49.8 177.3-117.6 131.9 36.0 49.8 5.5 24 28 A D E > S-B 27 0B 92 3,-2.8 3,-1.8 -2,-0.4 -7,-0.1 -0.970 73.2 -18.5-138.2 119.2 35.0 52.5 3.0 25 29 A Q T 3 S- 0 0 167 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.882 127.5 -53.4 49.5 45.4 34.5 56.1 4.2 26 30 A a T 3 S+ 0 0 13 1,-0.2 -10,-3.4 -11,-0.1 -9,-1.6 0.482 119.4 105.9 73.9 6.1 34.2 55.0 7.8 27 31 A K E < S-B 24 0B 103 -3,-1.8 -3,-2.8 -11,-0.2 -1,-0.2 -0.834 77.7 -99.7-116.5 151.2 31.4 52.4 6.9 28 32 A F E -B 23 0B 60 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.483 37.1-123.2 -65.9 134.0 31.4 48.6 6.6 29 33 A I - 0 0 37 -7,-3.1 20,-0.4 22,-0.3 22,-0.3 -0.456 44.6 -84.2 -70.9 148.5 31.7 47.3 3.1 30 34 A K > - 0 0 144 1,-0.1 3,-1.6 -2,-0.1 19,-0.3 -0.193 49.1 -93.4 -59.3 145.8 28.8 45.0 2.2 31 35 A A T 3 S+ 0 0 66 17,-0.3 17,-0.2 1,-0.2 -1,-0.1 -0.326 109.4 29.6 -52.4 131.8 28.9 41.3 3.0 32 36 A G T 3 S+ 0 0 33 15,-2.5 -1,-0.2 1,-0.3 2,-0.2 0.129 76.8 137.6 105.8 -22.5 30.3 39.2 0.1 33 37 A K < - 0 0 98 -3,-1.6 14,-2.6 1,-0.1 2,-0.4 -0.417 60.2-119.3 -60.9 130.0 32.6 41.7 -1.4 34 38 A I E +C 46 0C 60 12,-0.2 12,-0.3 -2,-0.2 3,-0.1 -0.570 41.5 167.8 -72.2 123.3 35.9 40.0 -2.4 35 39 A f E + 0 0 26 10,-2.6 2,-0.3 -2,-0.4 11,-0.2 0.521 62.2 25.2-118.1 -11.1 38.6 41.8 -0.3 36 40 A R E S-C 45 0C 83 9,-1.4 9,-2.8 -15,-0.0 2,-0.3 -0.930 71.0-133.6-156.2 128.3 41.6 39.5 -0.7 37 41 A R - 0 0 171 -2,-0.3 2,-0.1 7,-0.2 7,-0.1 -0.683 30.9-115.4 -82.0 135.9 42.5 37.0 -3.4 38 42 A A - 0 0 23 -2,-0.3 6,-0.1 4,-0.2 -1,-0.1 -0.452 17.6-160.2 -65.3 140.8 43.7 33.6 -2.2 39 43 A R S S+ 0 0 223 -2,-0.1 -1,-0.1 2,-0.0 5,-0.1 0.774 75.0 33.8 -89.8 -32.7 47.3 32.8 -3.1 40 44 A G S S- 0 0 52 3,-0.1 2,-1.6 1,-0.0 -2,-0.1 0.016 116.6 -53.2-102.4-154.0 46.8 29.0 -2.6 41 45 A D S S+ 0 0 162 -2,-0.0 -2,-0.0 2,-0.0 -1,-0.0 -0.682 98.1 103.7 -90.7 77.9 44.2 26.4 -3.1 42 46 A N S S- 0 0 81 -2,-1.6 -4,-0.2 -4,-0.0 3,-0.1 -0.971 77.0 -96.2-148.4 153.8 41.5 28.2 -1.1 43 47 A P - 0 0 93 0, 0.0 -3,-0.1 0, 0.0 15,-0.1 -0.316 53.1 -91.9 -64.1 161.1 38.5 30.3 -1.9 44 48 A D - 0 0 46 -6,-0.1 2,-0.3 -7,-0.1 -7,-0.2 -0.228 42.9-107.0 -67.8 163.7 38.9 34.1 -2.0 45 49 A Y E -C 36 0C 8 -9,-2.8 -10,-2.6 10,-0.1 -9,-1.4 -0.791 36.0-165.7-101.8 143.8 38.2 36.1 1.2 46 50 A R E -C 34 0C 135 -2,-0.3 -12,-0.2 -12,-0.3 -13,-0.1 -0.932 25.8-100.7-134.8 146.4 35.1 38.3 1.5 47 51 A e - 0 0 5 -14,-2.6 -15,-2.5 -2,-0.3 7,-0.1 -0.300 23.1-144.4 -61.8 149.4 33.9 41.1 3.8 48 52 A T - 0 0 70 5,-0.3 -17,-0.3 3,-0.3 -1,-0.1 0.607 29.4-124.4 -91.2 -16.7 31.4 40.0 6.5 49 53 A G S S+ 0 0 23 -20,-0.4 -18,-0.1 2,-0.4 -21,-0.1 0.305 101.9 68.5 84.5 -3.0 29.3 43.2 6.3 50 54 A Q S S+ 0 0 162 1,-0.1 2,-0.3 3,-0.1 -20,-0.1 0.221 95.9 43.2-132.8 13.0 29.9 43.6 10.1 51 55 A S - 0 0 35 -22,-0.3 -2,-0.4 -29,-0.1 -22,-0.3 -0.989 63.9-136.5-153.7 151.7 33.6 44.4 10.4 52 56 A G S S+ 0 0 5 -2,-0.3 -30,-2.4 -36,-0.2 2,-0.5 0.515 82.3 95.7 -82.3 -4.3 36.1 46.6 8.6 53 57 A D S S- 0 0 71 -31,-0.2 -5,-0.3 -33,-0.2 -3,-0.1 -0.744 71.8-138.1 -94.5 125.6 38.6 43.8 8.7 54 58 A f - 0 0 11 -2,-0.5 -7,-0.1 -7,-0.1 -33,-0.1 -0.671 34.5-104.4 -74.9 133.0 39.0 41.5 5.6 55 59 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 -10,-0.1 -0.214 29.7-167.5 -54.4 148.0 39.3 37.8 6.7 56 60 A R + 0 0 188 1,-0.4 2,-0.3 -3,-0.0 -11,-0.0 0.595 67.6 18.8-112.7 -21.6 42.8 36.4 6.4 57 61 A K S S- 0 0 134 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 -0.987 76.1-114.3-149.4 147.0 42.2 32.6 6.8 58 62 A H 0 0 82 -2,-0.3 -13,-0.0 -3,-0.1 0, 0.0 -0.665 360.0 360.0 -80.0 132.7 39.3 30.3 6.5 59 63 A F 0 0 270 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 -0.392 360.0 360.0 -59.2 360.0 38.2 28.6 9.7 60 !* 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 61 4 B A 0 0 156 0, 0.0 3,-0.0 0, 0.0 -54,-0.0 0.000 360.0 360.0 360.0 130.0 48.2 65.9 18.3 62 5 B N > - 0 0 36 3,-0.4 3,-1.9 1,-0.1 5,-0.1 -0.925 360.0-163.9-115.9 106.6 46.9 63.5 20.9 63 6 B P T 3 S+ 0 0 97 0, 0.0 13,-0.1 0, 0.0 -1,-0.1 0.649 87.2 58.0 -59.5 -18.6 49.9 61.5 22.0 64 7 B g T 3 S+ 0 0 8 15,-0.2 9,-2.1 -58,-0.1 2,-0.4 0.584 104.3 54.9 -87.1 -15.4 47.6 58.9 23.5 65 8 B c E < -D 72 0D 10 -3,-1.9 2,-0.9 7,-0.3 -3,-0.4 -0.978 65.2-145.8-130.0 129.6 45.6 58.1 20.4 66 9 B D E >> -D 71 0D 70 5,-3.2 4,-2.0 -2,-0.4 5,-1.2 -0.835 19.0-165.7 -86.3 106.2 46.6 56.9 16.9 67 10 B A T 45S+ 0 0 30 -2,-0.9 -1,-0.2 1,-0.2 -63,-0.1 0.746 81.1 63.0 -69.9 -22.4 44.0 58.8 14.9 68 11 B A T 45S+ 0 0 62 1,-0.2 -1,-0.2 -3,-0.1 -65,-0.1 0.894 121.8 20.0 -67.1 -38.9 44.7 56.7 11.7 69 12 B T T 45S- 0 0 29 -3,-0.5 -51,-0.2 2,-0.2 -2,-0.2 0.542 97.9-127.7-105.3 -13.4 43.6 53.5 13.4 70 13 B b T <5 + 0 0 14 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.911 68.4 128.7 54.9 43.6 41.5 54.9 16.3 71 14 B K E < -D 66 0D 97 -5,-1.2 -5,-3.2 -61,-0.1 -1,-0.3 -0.918 67.7-100.8-118.8 149.3 43.6 52.8 18.7 72 15 B L E -D 65 0D 22 -2,-0.3 -7,-0.3 157,-0.3 3,-0.1 -0.433 45.6-106.8 -61.0 146.1 45.4 53.9 21.8 73 16 B T > - 0 0 43 -9,-2.1 3,-2.4 1,-0.2 -1,-0.1 -0.312 51.1 -72.3 -70.8 157.3 49.1 54.4 21.3 74 17 B T T 3 S+ 0 0 154 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.253 122.6 17.1 -52.6 129.5 51.6 51.9 22.8 75 18 B G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 119,-0.2 2,-0.2 0.192 96.5 128.6 93.0 -16.3 51.8 52.2 26.6 76 19 B S < - 0 0 6 -3,-2.4 -1,-0.3 1,-0.1 12,-0.2 -0.532 35.6-179.7 -81.9 138.3 48.6 54.2 26.8 77 20 B Q S S+ 0 0 18 10,-3.5 2,-0.3 1,-0.3 11,-0.2 0.574 74.6 6.7-101.1 -21.4 45.8 53.3 29.2 78 21 B h - 0 0 3 9,-1.4 -1,-0.3 34,-0.1 3,-0.1 -0.979 48.0-154.4-159.2 161.1 43.5 56.2 28.2 79 22 B A S S- 0 0 13 1,-0.4 2,-0.3 -2,-0.3 -15,-0.2 0.553 78.7 -4.9-111.6 -20.4 43.1 59.0 25.7 80 23 B D S S+ 0 0 94 -72,-0.2 -1,-0.4 -16,-0.1 3,-0.1 -0.954 74.9 101.8-168.5 161.6 40.9 61.5 27.5 81 24 B G S > S- 0 0 30 -2,-0.3 3,-1.9 3,-0.1 33,-0.2 -0.247 72.5 -87.9 122.1 154.5 38.9 61.9 30.7 82 25 B L T 3 S+ 0 0 93 1,-0.3 32,-0.2 -2,-0.1 -1,-0.1 0.664 127.2 49.6 -69.5 -17.2 39.1 63.6 34.1 83 26 B i T 3 S+ 0 0 0 30,-2.8 7,-2.6 -3,-0.1 2,-0.4 0.065 93.8 92.8-107.6 22.8 40.9 60.5 35.4 84 27 B h E < +E 89 0E 20 -3,-1.9 2,-0.4 29,-0.3 5,-0.2 -0.969 47.1 175.9-114.1 133.3 43.4 60.4 32.6 85 28 B D E > S-E 88 0E 96 3,-2.7 3,-1.6 -2,-0.4 -5,-0.0 -0.963 74.6 -17.6-139.7 118.5 46.8 62.1 32.9 86 29 B Q T 3 S- 0 0 171 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.896 127.7 -54.0 51.8 43.4 49.5 61.8 30.2 87 30 B g T 3 S+ 0 0 15 1,-0.2 -10,-3.5 -11,-0.1 -9,-1.4 0.552 119.5 103.0 72.2 10.7 47.6 58.7 28.8 88 31 B K E < S-E 85 0E 92 -3,-1.6 -3,-2.7 -11,-0.2 -1,-0.2 -0.908 77.6-101.2-122.8 149.5 47.6 56.9 32.2 89 32 B F E -E 84 0E 14 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.481 33.9-125.4 -64.4 136.1 44.9 56.3 34.8 90 33 B M - 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