==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 13-MAR-97 1VTX . COMPND 2 MOLECULE: DELTA-ATRACOTOXIN-HV1; . SOURCE 2 ORGANISM_SCIENTIFIC: HADRONYCHE VERSUTA; . AUTHOR J.I.FLETCHER,B.E.CHAPMAN,G.F.KING . 42 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 52.4 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 . 7 16.7 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 2.4 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 . 1 2.4 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 . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 19.0 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 . 1 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 . 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 a 0 0 100 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 167.1 2.0 0.1 -1.3 2 2 A A - 0 0 3 11,-0.1 13,-1.4 16,-0.1 2,-0.2 -0.881 360.0-130.5-130.4 161.9 5.8 0.2 -1.8 3 3 A K > - 0 0 147 -2,-0.3 3,-1.1 11,-0.2 28,-0.4 -0.472 43.8 -67.8-104.7 178.2 8.2 2.3 -3.8 4 4 A K T 3 S+ 0 0 89 1,-0.2 28,-0.2 -2,-0.2 -1,-0.1 -0.378 119.8 26.2 -67.4 143.4 11.1 1.4 -6.2 5 5 A R T 3 S+ 0 0 192 26,-1.7 2,-0.5 1,-0.3 -1,-0.2 0.681 90.0 140.8 77.1 18.2 14.1 -0.2 -4.6 6 6 A N < - 0 0 62 -3,-1.1 25,-1.5 25,-0.4 -1,-0.3 -0.841 58.6-112.8 -98.8 124.9 11.9 -1.6 -1.8 7 7 A W B -A 30 0A 166 -2,-0.5 23,-0.3 23,-0.2 2,-0.3 -0.245 33.5-142.2 -54.3 136.0 12.5 -5.1 -0.6 8 8 A b + 0 0 28 21,-1.9 2,-0.2 20,-1.4 3,-0.1 -0.703 40.3 122.8-102.7 155.2 9.7 -7.5 -1.5 9 9 A G + 0 0 54 1,-0.7 3,-0.1 -2,-0.3 4,-0.1 -0.542 56.3 18.4-167.0-123.9 8.3 -10.3 0.6 10 10 A K S S- 0 0 171 1,-0.2 -1,-0.7 -2,-0.2 3,-0.4 0.119 106.4 -45.7 -57.5-179.2 4.9 -11.2 2.1 11 11 A T S S+ 0 0 143 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 -0.244 91.6 107.3 -53.7 134.6 1.7 -9.8 0.7 12 12 A E - 0 0 102 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.105 56.6-149.4-174.0 -47.4 2.0 -6.0 0.2 13 13 A D - 0 0 121 -3,-0.4 2,-0.1 -4,-0.1 -11,-0.1 0.319 14.2-111.2 72.3 153.1 2.2 -5.2 -3.5 14 14 A c - 0 0 6 4,-0.3 2,-0.9 -13,-0.2 -11,-0.2 -0.425 36.0 -84.2-107.8-175.7 4.1 -2.2 -5.0 15 15 A a S > S- 0 0 50 -13,-1.4 3,-2.0 -2,-0.1 4,-0.1 -0.814 71.3 -80.1 -97.6 102.1 3.0 0.9 -6.8 16 16 A d T 3 S+ 0 0 51 -2,-0.9 17,-0.1 1,-0.4 3,-0.1 0.069 118.9 28.9 -37.4 147.9 2.4 0.2 -10.5 17 17 A P T 3 S+ 0 0 38 0, 0.0 17,-1.4 0, 0.0 -1,-0.4 -0.982 109.0 91.5 -77.3 7.0 4.0 -0.1 -12.8 18 18 A M E < +B 33 0A 22 -3,-2.0 2,-0.3 15,-0.3 -4,-0.3 -0.381 56.9 178.5 -60.6 126.0 6.4 -1.2 -10.0 19 19 A K E -B 32 0A 106 13,-1.6 13,-1.8 11,-0.2 11,-0.2 -0.981 40.7 -86.5-133.8 144.7 6.2 -5.0 -9.4 20 20 A b E -B 31 0A 51 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.258 57.2-179.8 -50.8 119.5 8.0 -7.3 -7.1 21 21 A V E -B 30 0A 45 9,-1.8 9,-1.0 7,-0.1 2,-0.3 -0.726 23.3-118.3-120.3 170.1 11.2 -8.3 -8.9 22 22 A Y - 0 0 127 7,-0.3 5,-0.1 -2,-0.2 6,-0.1 -0.867 19.5-173.1-113.1 146.4 14.1 -10.5 -8.1 23 23 A A - 0 0 42 3,-0.7 -1,-0.2 -2,-0.3 4,-0.1 0.668 36.2-103.3 -98.8-102.7 17.8 -9.5 -7.7 24 24 A W S S+ 0 0 190 2,-0.1 3,-0.2 5,-0.0 -1,-0.1 0.102 102.4 20.7-152.7 -83.3 20.5 -12.2 -7.3 25 25 A Y S S+ 0 0 164 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.360 122.6 63.9 -81.6 5.7 22.0 -12.9 -3.9 26 26 A N > + 0 0 39 1,-0.1 3,-2.4 2,-0.0 -3,-0.7 -0.692 57.1 179.5-132.8 80.8 19.0 -11.2 -2.4 27 27 A E T 3 + 0 0 149 -2,-0.3 -1,-0.1 1,-0.3 -19,-0.1 0.735 68.3 95.5 -51.6 -20.9 15.8 -13.2 -3.1 28 28 A Q T 3 S- 0 0 96 -3,-0.1 -20,-1.4 -6,-0.1 -1,-0.3 0.794 78.1-164.5 -40.4 -33.1 14.2 -10.4 -1.1 29 29 A G < - 0 0 3 -3,-2.4 -21,-1.9 -22,-0.2 2,-0.3 0.175 6.0-120.9 63.3 169.9 13.6 -8.8 -4.5 30 30 A S E -AB 7 21A 18 -9,-1.0 -9,-1.8 -23,-0.3 2,-0.5 -0.993 20.6 -97.5-148.6 152.7 12.6 -5.2 -5.0 31 31 A c E + B 0 20A 1 -25,-1.5 -26,-1.7 -28,-0.4 -25,-0.4 -0.577 54.0 157.3 -73.1 118.7 9.7 -3.2 -6.5 32 32 A Q E - B 0 19A 91 -13,-1.8 -13,-1.6 -2,-0.5 2,-0.3 -0.989 51.2 -97.8-147.9 135.4 10.7 -2.1 -10.1 33 33 A S E - B 0 18A 74 -2,-0.3 -15,-0.3 -15,-0.3 2,-0.2 -0.317 46.8-152.9 -53.7 111.4 8.6 -1.1 -13.1 34 34 A T > - 0 0 34 -17,-1.4 3,-0.8 -2,-0.3 4,-0.2 -0.569 20.7-124.2 -89.8 153.8 8.4 -4.3 -15.2 35 35 A I G > S+ 0 0 129 1,-0.3 3,-2.2 -2,-0.2 4,-0.3 0.905 114.9 56.1 -61.5 -42.4 8.0 -4.4 -18.9 36 36 A S G > S+ 0 0 45 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.708 88.9 79.2 -62.7 -18.1 4.9 -6.6 -18.6 37 37 A A G X S+ 0 0 1 -3,-0.8 3,-0.9 1,-0.3 -1,-0.3 0.706 76.9 73.9 -62.6 -18.6 3.7 -3.7 -16.4 38 38 A L G X S+ 0 0 88 -3,-2.2 3,-1.9 1,-0.3 -1,-0.3 0.887 87.1 59.0 -62.0 -39.6 2.9 -2.0 -19.6 39 39 A W G < S+ 0 0 194 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.743 117.4 34.4 -61.4 -21.6 -0.1 -4.3 -20.1 40 40 A K G < S- 0 0 132 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.213 89.2-168.3-125.5 39.4 -1.3 -2.9 -16.8 41 41 A K < 0 0 141 -3,-1.9 -3,-0.1 -5,-0.1 -25,-0.1 -0.013 360.0 360.0 -34.4 112.6 0.0 0.7 -17.3 42 42 A d 0 0 101 -5,-0.1 -1,-0.1 -27,-0.1 -27,-0.0 -0.047 360.0 360.0 -46.0 360.0 -0.4 2.1 -13.8