==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 17-MAY-06 2H1Z . COMPND 2 MOLECULE: HYBRID ATRACOTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HADRONYCHE VERSUTA; . AUTHOR B.L.SOLLOD,M.W.MACIEJEWSKI,G.F.KING . 39 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 23.1 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 2.6 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 . 1 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.7 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+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 . 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 PARALLEL BRIDGES PER LADDER . 1 0 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 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 G 0 0 128 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-107.0 -1.5 -14.5 3.3 2 2 A S + 0 0 90 16,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.562 360.0 155.9 -77.6 135.8 -1.1 -11.1 4.9 3 3 A a - 0 0 52 -2,-0.3 14,-0.3 12,-0.1 15,-0.1 -0.956 44.6 -93.0-152.4 168.1 -1.5 -8.1 2.5 4 4 A V B -a 17 0A 19 12,-3.0 14,-2.5 -2,-0.3 17,-0.2 -0.736 43.7-115.7 -89.3 131.2 -2.4 -4.4 2.5 5 5 A P > - 0 0 74 0, 0.0 3,-1.6 0, 0.0 32,-0.3 -0.406 36.9-102.6 -66.8 137.5 -6.1 -3.6 1.8 6 6 A V T 3 S+ 0 0 16 1,-0.3 32,-0.2 -2,-0.1 13,-0.1 -0.192 108.5 28.4 -58.2 149.6 -6.7 -1.7 -1.4 7 7 A D T 3 S+ 0 0 94 30,-3.1 -1,-0.3 1,-0.3 31,-0.1 0.518 105.5 106.5 73.3 6.2 -7.3 2.1 -1.0 8 8 A Q S < S- 0 0 93 -3,-1.6 29,-2.2 29,-0.1 -1,-0.3 -0.827 80.1 -91.6-116.1 155.3 -5.2 1.9 2.1 9 9 A P B -B 36 0B 78 0, 0.0 27,-0.3 0, 0.0 2,-0.2 -0.350 46.1-179.5 -66.1 141.7 -1.6 3.1 2.7 10 10 A b - 0 0 11 25,-2.9 25,-0.4 14,-0.2 2,-0.4 -0.689 19.2-127.5-129.5-178.0 1.3 0.7 2.1 11 11 A S > - 0 0 44 4,-0.4 3,-2.2 -2,-0.2 12,-0.1 -1.000 16.7-132.1-140.7 136.9 5.1 0.6 2.3 12 12 A L T 3 S+ 0 0 135 -2,-0.4 -1,-0.1 1,-0.3 11,-0.0 0.721 115.3 43.8 -56.9 -21.5 7.8 -0.3 -0.2 13 13 A N T 3 S+ 0 0 134 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.369 106.2 78.0-104.8 2.3 9.3 -2.4 2.6 14 14 A T S < S- 0 0 69 -3,-2.2 -10,-0.0 1,-0.2 -4,-0.0 -0.397 95.5 -63.2-102.5-177.8 6.0 -3.9 3.8 15 15 A Q - 0 0 113 -2,-0.1 -4,-0.4 1,-0.1 -1,-0.2 -0.205 61.7 -98.3 -62.5 155.4 3.8 -6.7 2.6 16 16 A P - 0 0 91 0, 0.0 -12,-3.0 0, 0.0 6,-0.1 0.082 45.6 -87.7 -64.4-176.8 2.1 -6.4 -0.9 17 17 A c B -a 4 0A 13 4,-0.5 3,-0.3 -14,-0.3 2,-0.2 -0.300 38.5-109.7 -89.6 176.6 -1.4 -5.2 -1.5 18 18 A a S > S+ 0 0 22 -14,-2.5 3,-1.2 1,-0.2 -1,-0.1 -0.588 92.0 30.4-103.9 167.1 -4.7 -7.2 -1.5 19 19 A D T 3 S- 0 0 132 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.820 135.6 -61.8 54.5 31.9 -7.0 -8.1 -4.4 20 20 A D T 3 S+ 0 0 162 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.861 95.9 160.9 63.2 37.4 -3.9 -8.0 -6.7 21 21 A A < - 0 0 14 -3,-1.2 -4,-0.5 -17,-0.2 2,-0.4 -0.209 30.9-134.2 -81.3 176.4 -3.4 -4.3 -5.8 22 22 A T E -C 38 0B 88 16,-1.6 16,-1.7 -6,-0.1 2,-0.7 -0.997 15.6-117.7-137.6 140.5 -0.2 -2.3 -6.2 23 23 A b E +C 37 0B 51 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.665 44.9 173.9 -79.3 112.3 1.7 0.1 -3.9 24 24 A T E -C 36 0B 68 12,-3.4 12,-3.4 -2,-0.7 2,-0.2 -0.869 35.2-100.5-122.2 156.5 1.7 3.5 -5.7 25 25 A Q E +C 35 0B 129 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.496 52.9 150.8 -73.7 137.8 2.8 7.0 -4.8 26 26 A E E -C 34 0B 38 8,-3.2 8,-3.0 -2,-0.2 2,-0.3 -0.885 41.4 -93.7-153.5-177.8 0.0 9.4 -3.8 27 27 A R E -C 33 0B 191 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.850 30.5-153.0-111.4 146.3 -0.8 12.4 -1.7 28 28 A N - 0 0 44 4,-1.3 3,-0.3 -2,-0.3 6,-0.0 -0.395 40.0 -87.7-105.1-175.6 -2.2 12.5 1.9 29 29 A E S S+ 0 0 190 1,-0.2 -1,-0.0 -2,-0.1 -2,-0.0 0.820 129.2 52.5 -62.5 -31.3 -4.3 15.0 3.8 30 30 A N S S- 0 0 132 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.795 114.7-118.2 -75.1 -29.2 -1.1 16.7 4.9 31 31 A G + 0 0 39 1,-0.4 2,-0.2 -3,-0.3 -2,-0.1 0.410 70.0 128.4 105.5 -0.1 0.1 17.0 1.3 32 32 A H - 0 0 139 1,-0.1 -4,-1.3 -5,-0.0 -1,-0.4 -0.518 68.4 -90.7 -87.8 157.2 3.2 14.9 1.6 33 33 A T E + C 0 27B 62 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.419 54.9 166.2 -67.9 137.7 4.1 12.0 -0.7 34 34 A V E - C 0 26B 31 -8,-3.0 -8,-3.2 -2,-0.1 2,-0.5 -0.890 34.7-112.1-144.3 173.2 2.9 8.6 0.5 35 35 A Y E + C 0 25B 97 -25,-0.4 -25,-2.9 -2,-0.3 2,-0.3 -0.957 35.3 174.7-117.3 124.4 2.4 5.1 -0.8 36 36 A Y E -BC 9 24B 64 -12,-3.4 -12,-3.4 -2,-0.5 2,-0.4 -0.806 30.1-110.5-124.6 166.1 -1.1 3.6 -1.2 37 37 A c E - C 0 23B 0 -29,-2.2 -30,-3.1 -32,-0.3 2,-0.4 -0.825 29.2-173.1-100.7 133.6 -2.7 0.4 -2.5 38 38 A R E C 0 22B 112 -16,-1.7 -16,-1.6 -2,-0.4 -21,-0.1 -0.989 360.0 360.0-130.4 126.9 -4.7 0.4 -5.8 39 39 A A 0 0 114 -2,-0.4 -18,-0.1 -18,-0.2 -1,-0.0 0.221 360.0 360.0 -70.4 360.0 -6.6 -2.5 -7.2