==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-NOV-00 1G9P . COMPND 2 MOLECULE: OMEGA-ATRACOTOXIN-HV2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HADRONYCHE VERSUTA; . AUTHOR X.-H.WANG,G.F.KING . 45 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 33.3 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 . 8 17.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 2.2 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-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 . 4 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.9 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+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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 218 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.1 2.0 -0.5 -15.1 2 2 A L + 0 0 153 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.577 360.0 119.2-157.9 87.7 2.8 0.0 -11.4 3 3 A A + 0 0 27 1,-0.2 16,-2.9 -2,-0.1 17,-0.4 -0.296 59.5 67.1-149.0 57.0 0.3 -1.0 -8.7 4 4 A a B -A 18 0A 67 14,-0.3 14,-0.2 15,-0.1 -1,-0.2 -0.467 41.8-179.5-177.3 96.6 1.9 -3.7 -6.5 5 5 A L S S- 0 0 81 12,-0.8 13,-0.1 10,-0.2 11,-0.1 0.824 89.1 -17.8 -73.9 -29.9 4.8 -3.0 -4.1 6 6 A F - 0 0 125 11,-0.1 11,-0.1 10,-0.0 5,-0.1 0.374 58.7-171.2-138.0 -78.9 4.8 -6.7 -3.0 7 7 A G + 0 0 43 9,-0.5 10,-0.1 3,-0.2 4,-0.1 0.797 41.1 134.3 80.9 27.7 1.8 -8.9 -3.6 8 8 A N S S- 0 0 111 2,-0.4 3,-0.1 1,-0.0 9,-0.1 0.349 79.6-108.2 -90.9 8.8 3.2 -11.8 -1.5 9 9 A G S S+ 0 0 36 1,-0.2 20,-0.8 19,-0.1 2,-0.4 0.413 94.7 91.5 82.1 -5.7 -0.2 -12.3 0.3 10 10 A R B +B 28 0B 172 18,-0.3 -2,-0.4 6,-0.1 18,-0.3 -0.963 48.1 160.6-125.2 140.4 1.2 -10.7 3.5 11 11 A b - 0 0 15 16,-0.8 3,-0.1 -2,-0.4 6,-0.1 -0.976 37.8-147.6-150.3 165.2 1.1 -7.1 4.6 12 12 A S S S+ 0 0 99 -2,-0.3 2,-0.2 1,-0.2 15,-0.1 0.673 88.0 0.8-106.4 -26.5 1.5 -4.8 7.7 13 13 A S S > S- 0 0 55 14,-0.1 3,-1.0 1,-0.1 -1,-0.2 -0.847 87.1 -87.3-147.3-178.0 -1.0 -2.1 6.5 14 14 A N G > S+ 0 0 89 -2,-0.2 3,-1.4 1,-0.2 11,-0.1 0.889 124.2 59.0 -67.0 -36.5 -3.3 -1.4 3.5 15 15 A R G 3 S+ 0 0 188 1,-0.3 -1,-0.2 9,-0.1 -10,-0.2 0.645 92.1 71.0 -68.4 -10.2 -0.4 0.3 1.6 16 16 A D G < S+ 0 0 35 -3,-1.0 -9,-0.5 -11,-0.1 -1,-0.3 0.273 92.3 71.9 -89.1 14.5 1.6 -3.0 1.9 17 17 A c S < S- 0 0 10 -3,-1.4 -12,-0.8 -11,-0.1 2,-0.2 -0.478 79.3-113.0-115.7-170.8 -0.8 -4.6 -0.7 18 18 A a B > -A 4 0A 16 3,-0.4 3,-0.5 -14,-0.2 -14,-0.3 -0.550 37.4 -90.2-115.9-176.5 -1.3 -4.3 -4.5 19 19 A E T 3 S+ 0 0 141 -16,-2.9 -15,-0.1 1,-0.2 -1,-0.1 0.954 124.8 56.3 -61.5 -49.2 -4.1 -3.0 -6.7 20 20 A L T 3 S+ 0 0 151 -17,-0.4 -1,-0.2 1,-0.3 -16,-0.1 0.789 118.5 37.2 -55.1 -23.9 -5.8 -6.5 -6.9 21 21 A T < + 0 0 23 -3,-0.5 -3,-0.4 10,-0.1 -1,-0.3 -0.743 64.3 168.7-132.7 87.0 -5.9 -6.4 -3.1 22 22 A P + 0 0 63 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.338 62.4 72.8 -78.7 6.8 -6.6 -2.8 -1.8 23 23 A V E -C 30 0B 30 7,-1.6 7,-1.8 -5,-0.1 2,-0.5 -0.944 61.3-158.5-126.1 147.8 -7.2 -4.1 1.8 24 24 A b E +C 29 0B 21 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.866 29.2 155.0-123.9 97.4 -4.7 -5.5 4.4 25 25 A K E > +C 28 0B 101 3,-1.5 3,-1.1 -2,-0.5 -14,-0.1 -0.955 63.2 8.6-125.4 144.0 -6.5 -7.7 7.0 26 26 A R T 3 S- 0 0 225 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.878 128.8 -63.7 59.7 35.9 -5.1 -10.5 9.2 27 27 A G T 3 S+ 0 0 45 1,-0.2 -16,-0.8 -3,-0.2 2,-0.3 0.826 121.5 97.6 59.4 28.2 -1.6 -9.6 8.1 28 28 A S E < S-BC 10 25B 48 -3,-1.1 -3,-1.5 -18,-0.3 2,-0.4 -0.920 73.7-115.7-140.3 166.2 -2.6 -10.6 4.5 29 29 A c E + C 0 24B 14 -20,-0.8 2,-0.2 -2,-0.3 -5,-0.2 -0.875 42.2 146.8-108.2 138.8 -3.9 -8.8 1.4 30 30 A V E - C 0 23B 45 -7,-1.8 -7,-1.6 -2,-0.4 2,-0.6 -0.841 54.4 -61.8-150.7-172.6 -7.4 -9.4 -0.1 31 31 A S - 0 0 90 -2,-0.2 -10,-0.1 -10,-0.2 -11,-0.1 -0.694 36.5-157.1 -83.8 120.4 -10.1 -7.6 -2.0 32 32 A S + 0 0 60 -2,-0.6 -1,-0.2 1,-0.1 -11,-0.0 0.983 30.0 165.6 -60.6 -57.6 -11.6 -4.7 0.1 33 33 A G - 0 0 53 3,-0.0 -1,-0.1 -10,-0.0 2,-0.1 -0.464 48.6 -23.2 75.6-150.3 -14.9 -4.6 -1.7 34 34 A P S S- 0 0 124 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.197 73.1 -95.6 -86.0 179.9 -17.8 -2.6 -0.1 35 35 A G S S- 0 0 76 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.925 79.9 -43.8 -63.3 -94.8 -18.2 -1.6 3.6 36 36 A L - 0 0 156 1,-0.1 -1,-0.2 -3,-0.0 4,-0.1 -0.955 61.1 -94.0-139.3 158.9 -20.4 -4.3 5.2 37 37 A V S S+ 0 0 129 -2,-0.3 2,-2.5 1,-0.2 -1,-0.1 -0.059 104.2 27.3 -63.0 173.9 -23.7 -6.1 4.3 38 38 A G S S- 0 0 63 5,-0.1 -1,-0.2 2,-0.0 2,-0.0 -0.418 103.2-122.1 71.6 -77.2 -27.0 -4.7 5.5 39 39 A G - 0 0 44 -2,-2.5 3,-0.2 4,-0.1 -2,-0.1 0.117 3.4-119.0 110.8 133.5 -25.8 -1.1 5.7 40 40 A I S S+ 0 0 171 1,-0.2 2,-0.6 -4,-0.1 3,-0.1 0.785 108.3 48.1 -74.7 -24.9 -25.7 1.3 8.7 41 41 A L S S- 0 0 161 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 -0.846 130.5 -16.0-119.2 97.1 -28.0 3.8 6.9 42 42 A G - 0 0 60 -2,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.792 56.7-152.7 78.1 105.8 -31.0 2.0 5.4 43 43 A G + 0 0 56 -3,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.004 69.9 86.0 -98.6 30.0 -30.8 -1.8 5.1 44 44 A I 0 0 149 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.976 360.0 360.0-131.0 144.1 -33.2 -2.0 2.2 45 45 A L 0 0 232 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.1 0.639 360.0 360.0 59.9 360.0 -32.5 -1.6 -1.6