==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-SEP-99 1CZ6 . COMPND 2 MOLECULE: PROTEIN (ANDROCTONIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ANDROCTONUS AUSTRALIS; . AUTHOR N.MANDARD,F.VOVELLE . 25 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 44.0 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 . 5 20.0 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 . 0 0.0 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 20.0 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+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 . 0 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 1 A R 0 0 274 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.0 5.9 1.3 -1.9 2 2 A S - 0 0 79 2,-0.1 20,-0.0 0, 0.0 0, 0.0 -0.505 360.0-137.0-116.8-175.9 5.8 -2.5 -2.5 3 3 A V + 0 0 125 -2,-0.2 2,-0.2 2,-0.1 0, 0.0 -0.351 62.5 119.0-140.4 50.0 3.2 -4.9 -3.9 4 4 A a - 0 0 37 18,-0.1 2,-0.3 20,-0.0 -2,-0.1 -0.551 58.9-119.8-109.7 175.8 3.6 -7.7 -1.4 5 5 A R - 0 0 150 -2,-0.2 16,-3.2 14,-0.0 17,-0.7 -0.873 28.4-112.3-117.7 152.7 1.3 -9.4 1.1 6 6 A Q E -A 20 0A 91 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.686 32.7-173.6 -90.2 137.7 1.7 -9.5 4.9 7 7 A I E -A 19 0A 63 12,-2.9 12,-2.8 -2,-0.3 2,-1.8 -0.893 37.9-109.3-127.4 157.8 2.5 -12.7 6.6 8 8 A K E -A 18 0A 137 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.690 48.0-163.5 -87.0 82.6 2.7 -13.6 10.3 9 9 A I E -A 17 0A 40 -2,-1.8 8,-2.6 8,-1.7 2,-0.3 -0.504 5.5-164.5 -71.4 142.6 6.5 -14.1 10.0 10 10 A b - 0 0 65 6,-0.3 6,-0.2 -2,-0.2 2,-0.2 -0.916 5.8-159.3-130.2 156.0 8.0 -16.0 12.9 11 11 A R - 0 0 158 4,-0.4 3,-0.2 -2,-0.3 5,-0.0 -0.625 28.4-124.2-123.0-177.9 11.6 -16.5 14.2 12 12 A R S S+ 0 0 245 1,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.674 105.7 16.2 -98.6 -27.4 13.5 -19.0 16.4 13 13 A R S S+ 0 0 213 2,-0.2 2,-0.5 -3,-0.0 -1,-0.5 -0.978 124.7 33.5-141.7 141.7 14.6 -16.2 18.7 14 14 A G S S- 0 0 84 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.0 -0.478 100.2-108.1 108.6 -62.7 13.0 -12.7 18.8 15 15 A G - 0 0 34 -2,-0.5 -4,-0.4 2,-0.0 2,-0.3 -0.859 36.2 -57.9 133.2-168.9 9.4 -13.5 18.0 16 16 A b + 0 0 67 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.2 -0.809 50.5 151.7-115.1 155.6 6.7 -13.2 15.3 17 17 A Y E -A 9 0A 116 -8,-2.6 -8,-1.7 -2,-0.3 2,-0.7 -0.864 50.6 -64.0-159.7-168.3 5.4 -10.2 13.5 18 18 A Y E +A 8 0A 192 -2,-0.2 2,-0.4 -10,-0.2 -10,-0.2 -0.863 51.7 177.2 -99.0 113.5 3.8 -8.8 10.3 19 19 A K E -A 7 0A 72 -12,-2.8 -12,-2.9 -2,-0.7 2,-0.7 -0.942 34.0-129.5-117.1 140.1 6.3 -9.1 7.4 20 20 A a E +A 6 0A 53 -2,-0.4 -14,-0.3 -14,-0.2 -2,-0.0 -0.807 34.7 179.7 -85.1 121.3 5.5 -8.1 3.8 21 21 A T - 0 0 43 -16,-3.2 -1,-0.2 -2,-0.7 -15,-0.1 0.920 17.3-150.0 -91.8 -48.4 6.7 -11.4 2.3 22 22 A N - 0 0 87 -17,-0.7 -18,-0.1 -3,-0.2 -2,-0.0 0.958 7.9-158.2 76.2 84.3 6.1 -10.9 -1.4 23 23 A R - 0 0 167 1,-0.1 2,-2.8 0, 0.0 -1,-0.1 -0.761 39.3 -94.2 -91.5 145.9 5.3 -14.3 -3.0 24 24 A P 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -20,-0.0 -0.283 360.0 360.0 -62.8 70.5 5.9 -14.4 -6.8 25 25 A Y 0 0 277 -2,-2.8 0, 0.0 0, 0.0 0, 0.0 -0.735 360.0 360.0-134.0 360.0 2.3 -13.6 -7.7