==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 06-JAN-03 1J2L . COMPND 2 MOLECULE: DISINTEGRIN TRIFLAVIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRIMERESURUS FLAVOVIRIDIS; . AUTHOR Y.FUJII,D.OKUDA,Z.FUJIMOTO,T.MORITA,H.MIZUNO . 68 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 38.2 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 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 1 1.5 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 . 5 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 121 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.2 -3.5 27.9 7.3 2 2 A E - 0 0 139 2,-0.0 2,-1.6 17,-0.0 17,-0.0 -0.988 360.0-138.5-128.9 133.5 -2.8 31.6 7.7 3 3 A E - 0 0 172 -2,-0.4 2,-0.1 2,-0.0 0, 0.0 -0.663 36.8-162.7 -88.4 83.8 -1.0 33.9 5.3 4 4 A a - 0 0 64 -2,-1.6 16,-0.2 1,-0.1 15,-0.1 -0.394 23.1-153.3 -72.3 144.0 0.9 35.8 8.0 5 5 A D S S+ 0 0 67 14,-2.3 2,-0.4 -2,-0.1 15,-0.2 0.684 81.8 57.4 -87.6 -20.1 2.5 39.1 7.4 6 6 A b - 0 0 15 13,-1.1 -2,-0.1 1,-0.1 -1,-0.1 -0.919 65.0-154.5-115.3 139.0 5.2 38.6 10.1 7 7 A G S S+ 0 0 82 -2,-0.4 -1,-0.1 21,-0.1 -3,-0.0 0.867 84.3 45.9 -76.0 -36.6 7.6 35.7 10.3 8 8 A S S > S- 0 0 56 1,-0.1 3,-1.7 11,-0.0 -1,-0.1 -0.882 74.6-136.4-113.0 139.8 8.0 36.0 14.1 9 9 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.669 105.8 63.6 -63.1 -16.3 5.2 36.3 16.7 10 10 A S T 3 S+ 0 0 97 3,-0.0 6,-0.1 2,-0.0 -3,-0.0 0.644 72.0 111.9 -83.1 -16.8 7.4 39.0 18.4 11 11 A N X - 0 0 37 -3,-1.7 3,-1.4 1,-0.2 -5,-0.1 -0.431 59.4-153.8 -60.6 116.2 7.3 41.3 15.4 12 12 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.613 83.5 79.8 -69.5 -10.3 5.2 44.3 16.7 13 13 A c T 3 S+ 0 0 6 15,-0.2 9,-2.5 8,-0.1 2,-0.3 0.670 89.9 63.0 -71.6 -15.2 4.1 45.1 13.2 14 14 A b B < S-A 21 0A 14 -3,-1.4 2,-0.5 7,-0.3 7,-0.3 -0.801 90.0-110.3-113.5 155.2 1.5 42.3 13.4 15 15 A D > - 0 0 68 5,-3.1 4,-3.0 -2,-0.3 5,-0.4 -0.699 29.0-137.0 -78.4 123.7 -1.6 41.8 15.6 16 16 A A T 4 S+ 0 0 98 -2,-0.5 -1,-0.2 1,-0.2 -5,-0.0 0.825 100.9 49.4 -52.1 -35.8 -0.6 38.8 17.8 17 17 A A T 4 S+ 0 0 94 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.861 122.3 28.1 -75.1 -38.6 -4.0 37.2 17.3 18 18 A T T 4 S- 0 0 63 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.667 88.7-138.1 -97.5 -20.1 -4.3 37.5 13.5 19 19 A a S < S+ 0 0 31 -4,-3.0 -14,-2.3 1,-0.3 -13,-1.1 0.647 70.8 111.7 67.3 16.6 -0.6 37.3 12.6 20 20 A K S S- 0 0 77 -5,-0.4 -5,-3.1 -16,-0.2 -1,-0.3 -0.778 84.4 -66.1-115.4 161.2 -1.4 40.0 10.0 21 21 A L B -A 14 0A 57 -2,-0.3 -7,-0.3 -7,-0.3 -1,-0.1 -0.147 54.7-133.1 -48.2 132.6 -0.3 43.7 10.0 22 22 A R > - 0 0 138 -9,-2.5 3,-2.3 1,-0.2 -1,-0.1 -0.390 40.3 -69.0 -84.5 165.8 -1.9 45.6 12.9 23 23 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.297 124.4 24.1 -55.7 133.0 -3.6 49.0 12.5 24 24 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 -3,-0.1 -11,-0.0 0.193 95.6 114.6 96.9 -17.2 -1.0 51.7 11.7 25 25 A A < + 0 0 18 -3,-2.3 -1,-0.3 -12,-0.2 12,-0.2 -0.756 36.6 177.9 -92.2 131.3 1.5 49.2 10.2 26 26 A Q S S- 0 0 70 10,-3.4 2,-0.3 -2,-0.4 11,-0.2 0.651 72.2 -0.0-100.6 -22.1 2.2 49.5 6.5 27 27 A d - 0 0 9 9,-1.3 -1,-0.3 34,-0.1 3,-0.1 -0.964 46.0-154.1-158.4 167.9 4.8 46.7 6.4 28 28 A A S S- 0 0 16 1,-0.3 2,-0.3 -2,-0.3 -15,-0.2 0.490 79.9 -0.6-125.5 -14.0 6.5 44.2 8.6 29 29 A D S S+ 0 0 103 -16,-0.1 -1,-0.3 -23,-0.1 3,-0.1 -0.940 73.0 102.5-162.6 177.6 9.8 43.6 6.8 30 30 A G S > S- 0 0 40 -2,-0.3 3,-1.8 1,-0.1 33,-0.2 -0.160 74.7 -83.4 113.2 151.3 11.7 44.7 3.7 31 31 A L T 3 S+ 0 0 102 1,-0.3 32,-0.2 -2,-0.1 -1,-0.1 0.769 129.2 45.6 -59.1 -28.1 14.6 47.0 2.8 32 32 A e T 3 S+ 0 0 0 30,-3.1 7,-2.7 -3,-0.1 2,-0.4 -0.022 94.2 96.0-107.4 29.8 12.2 49.9 2.7 33 33 A d E < +B 38 0B 21 -3,-1.8 2,-0.4 29,-0.3 5,-0.2 -0.979 43.6 169.2-120.7 130.1 10.4 49.1 5.9 34 34 A D E > S-B 37 0B 81 3,-2.9 3,-1.6 -2,-0.4 -5,-0.1 -0.966 71.6 -9.8-144.1 123.6 11.3 50.8 9.2 35 35 A Q T 3 S- 0 0 164 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.869 127.9 -58.2 57.1 38.6 9.3 50.6 12.4 36 36 A c T 3 S+ 0 0 20 1,-0.2 -10,-3.4 -11,-0.1 -9,-1.3 0.610 119.4 106.1 69.1 14.0 6.4 49.0 10.4 37 37 A R E < S-B 34 0B 120 -3,-1.6 -3,-2.9 -11,-0.2 -1,-0.2 -0.913 80.7-101.4-124.2 151.0 6.3 52.1 8.1 38 38 A F E -B 33 0B 60 -2,-0.3 -5,-0.2 -5,-0.2 24,-0.1 -0.497 47.0-115.2 -67.2 135.6 7.4 52.6 4.5 39 39 A K - 0 0 73 -7,-2.7 20,-0.3 22,-0.3 22,-0.2 -0.377 43.3 -80.4 -71.5 154.5 10.7 54.4 4.6 40 40 A K > - 0 0 170 1,-0.1 3,-1.8 2,-0.1 19,-0.3 -0.167 56.0 -89.2 -56.5 143.8 10.8 57.9 3.1 41 41 A K T 3 S+ 0 0 119 17,-0.3 17,-0.2 1,-0.2 -1,-0.1 -0.202 112.3 25.2 -53.7 142.6 11.1 58.3 -0.7 42 42 A R T 3 S+ 0 0 154 15,-3.1 -1,-0.2 1,-0.3 2,-0.2 0.315 79.7 149.3 82.2 -4.3 14.7 58.5 -2.0 43 43 A T < - 0 0 32 -3,-1.8 14,-2.8 14,-0.2 2,-0.4 -0.426 54.9-117.8 -59.8 125.2 16.1 56.5 0.9 44 44 A I E +C 56 0C 82 12,-0.2 12,-0.3 -2,-0.2 -1,-0.1 -0.531 45.6 163.9 -68.8 122.3 19.1 54.6 -0.4 45 45 A f E + 0 0 20 10,-2.7 2,-0.3 -2,-0.4 11,-0.2 0.521 57.3 29.5-120.3 -7.4 18.2 50.9 0.0 46 46 A R E -C 55 0C 57 9,-1.3 9,-1.9 19,-0.1 2,-0.7 -0.953 64.8-137.1-155.3 132.9 20.7 49.0 -2.2 47 47 A I - 0 0 125 -2,-0.3 7,-0.1 7,-0.2 2,-0.1 -0.821 30.9-135.8 -91.1 116.6 24.2 49.7 -3.4 48 48 A A - 0 0 23 -2,-0.7 2,-0.3 4,-0.3 4,-0.1 -0.396 14.8-118.1 -72.3 148.0 24.3 48.8 -7.1 49 49 A R S S+ 0 0 234 2,-0.1 -1,-0.1 -2,-0.1 2,-0.0 -0.681 81.5 6.9 -84.9 141.1 27.3 46.8 -8.4 50 50 A G S S- 0 0 58 -2,-0.3 2,-1.8 1,-0.1 -2,-0.0 -0.215 121.1 -39.5 80.4-176.4 29.3 48.7 -11.0 51 51 A D S S+ 0 0 170 -2,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.469 97.5 120.3 -86.6 68.1 28.7 52.3 -12.0 52 52 A F S S- 0 0 140 -2,-1.8 -4,-0.3 -4,-0.1 -2,-0.0 -0.904 73.2 -81.9-126.0 155.0 24.9 52.2 -11.9 53 53 A P - 0 0 56 0, 0.0 14,-0.3 0, 0.0 2,-0.1 -0.287 46.4-115.7 -58.3 136.2 22.6 54.3 -9.7 54 54 A D - 0 0 55 -7,-0.1 -7,-0.2 -6,-0.1 2,-0.2 -0.437 37.7-105.3 -68.8 148.7 22.0 53.0 -6.2 55 55 A D E -C 46 0C 9 -9,-1.9 -10,-2.7 -2,-0.1 -9,-1.3 -0.517 38.2-163.5 -79.5 145.2 18.4 51.9 -5.6 56 56 A R E -C 44 0C 125 -12,-0.3 -12,-0.2 9,-0.2 -13,-0.1 -0.944 22.9-101.3-131.5 152.0 16.1 54.1 -3.5 57 57 A e - 0 0 3 -14,-2.8 -15,-3.1 -2,-0.3 -14,-0.2 -0.315 18.3-146.2 -68.4 151.3 12.8 53.7 -1.7 58 58 A T - 0 0 46 5,-0.4 -17,-0.3 -17,-0.2 -1,-0.1 0.664 32.1-124.3 -91.0 -20.6 9.7 55.0 -3.3 59 59 A G S S+ 0 0 27 2,-0.4 -21,-0.2 -19,-0.3 -18,-0.1 0.335 101.2 70.9 90.4 -5.6 8.0 55.9 -0.1 60 60 A Q S S+ 0 0 160 -20,-0.1 2,-0.3 1,-0.1 -20,-0.1 0.294 95.6 41.9-124.2 6.7 5.0 53.8 -1.0 61 61 A S - 0 0 22 -22,-0.2 -2,-0.4 2,-0.1 -22,-0.3 -0.969 64.1-134.0-149.7 163.9 6.4 50.2 -0.7 62 62 A A S S+ 0 0 19 -2,-0.3 -30,-3.1 -24,-0.1 -29,-0.3 0.538 83.0 85.0 -95.7 -11.0 8.6 48.1 1.6 63 63 A D S S- 0 0 92 -32,-0.2 -5,-0.4 -31,-0.2 -2,-0.1 -0.492 81.7-121.0 -88.0 162.1 10.6 46.6 -1.2 64 64 A f - 0 0 9 -2,-0.2 -7,-0.1 -7,-0.1 -9,-0.1 -0.904 33.2-138.5-106.3 105.9 13.7 48.3 -2.7 65 65 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.196 13.5-113.7 -64.4 152.4 13.0 48.8 -6.5 66 66 A R - 0 0 183 -11,-0.1 -12,-0.1 1,-0.1 -11,-0.0 -0.767 38.1-108.9 -88.8 123.9 15.6 48.2 -9.2 67 67 A W 0 0 161 -2,-0.5 -12,-0.1 -14,-0.3 -1,-0.1 -0.211 360.0 360.0 -51.9 137.6 16.6 51.4 -11.0 68 68 A N 0 0 180 -3,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.740 360.0 360.0-127.9 360.0 15.2 51.6 -14.5