==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 18-APR-04 1T1T . COMPND 2 MOLECULE: KURTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABUTHUS TRANSVAALICUS; . AUTHOR C.W.LEE,H.J.MIN,E.M.CHO,T.KOHNO,Y.J.EU,J.I.KIM . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 58.1 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 . 12 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.6 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 . 6 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 1 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 1 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 K 0 0 233 0, 0.0 2,-0.3 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 92.8 -3.9 13.5 -3.7 2 2 A I E -A 49 0A 48 47,-2.9 46,-2.6 2,-0.0 47,-1.8 -0.793 360.0-157.1-120.3 165.2 -1.4 10.9 -4.9 3 3 A D E +A 47 0A 90 -2,-0.3 2,-0.3 44,-0.3 44,-0.2 -0.999 35.1 98.3-143.3 144.1 -1.8 7.3 -6.2 4 4 A G E S-A 46 0A 2 42,-2.1 42,-1.8 -2,-0.3 -2,-0.0 -0.942 75.7 -40.8 173.5-151.6 0.6 4.3 -6.4 5 5 A Y - 0 0 73 -2,-0.3 51,-2.0 40,-0.2 40,-0.2 -0.831 53.4-161.6-110.2 98.3 1.4 1.1 -4.5 6 6 A P B -C 55 0B 3 0, 0.0 38,-0.4 0, 0.0 49,-0.3 -0.476 7.1-156.1 -75.8 144.2 1.4 1.7 -0.8 7 7 A V - 0 0 7 47,-2.1 47,-0.1 1,-0.2 9,-0.0 -0.424 18.6-113.7-109.1-172.0 3.2 -0.9 1.4 8 8 A D - 0 0 20 -2,-0.1 -1,-0.2 9,-0.0 46,-0.1 0.852 62.3 -70.5 -89.2 -88.5 2.8 -1.9 5.1 9 9 A Y S S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.505 123.8 22.6-141.1 -42.7 5.9 -1.0 7.2 10 10 A W S S- 0 0 119 51,-0.0 52,-2.6 0, 0.0 0, 0.0 0.181 97.0-117.2-116.5 16.6 8.9 -3.2 6.3 11 11 A N S > S+ 0 0 12 50,-0.2 3,-1.0 1,-0.1 50,-0.3 0.739 74.1 136.5 56.5 17.1 7.7 -4.2 2.8 12 12 A a T 3 + 0 0 42 1,-0.3 -1,-0.1 48,-0.2 49,-0.1 0.655 63.8 60.1 -70.1 -11.0 7.6 -7.8 4.2 13 13 A K T > S- 0 0 80 5,-0.0 3,-4.0 0, 0.0 -1,-0.3 -0.148 121.8-101.6-108.0 40.0 4.3 -8.2 2.4 14 14 A R T < S- 0 0 171 -3,-1.0 30,-0.1 1,-0.3 -2,-0.1 0.874 74.6 -66.6 46.2 36.2 5.6 -7.6 -1.1 15 15 A I T 3 S+ 0 0 46 28,-0.2 29,-1.7 -4,-0.1 2,-0.3 0.618 131.7 79.3 62.9 7.7 4.0 -4.1 -0.7 16 16 A b S < S- 0 0 15 -3,-4.0 27,-0.1 27,-0.2 -9,-0.1 -0.870 71.2-148.8-148.6 112.0 0.7 -5.9 -0.6 17 17 A W - 0 0 112 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.892 46.5-100.0 -43.4 -94.3 -0.8 -7.7 2.4 18 18 A Y S S+ 0 0 195 1,-0.5 -1,-0.1 2,-0.0 5,-0.1 0.190 90.4 63.4-160.5 -64.0 -2.9 -10.5 0.8 19 19 A N S S- 0 0 90 1,-0.1 -1,-0.5 2,-0.0 4,-0.4 -0.167 80.4-116.7 -70.1 171.0 -6.6 -10.0 0.5 20 20 A N S >> S+ 0 0 88 1,-0.2 3,-1.2 2,-0.2 17,-0.7 0.970 115.1 35.6 -75.8 -54.7 -8.1 -7.2 -1.7 21 21 A K H 3> S+ 0 0 159 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.718 100.0 82.4 -71.9 -17.0 -9.8 -5.2 1.1 22 22 A Y H 3> S+ 0 0 105 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.818 100.0 38.0 -57.7 -26.4 -6.9 -6.1 3.4 23 23 A c H <> S+ 0 0 5 -3,-1.2 4,-2.4 -4,-0.4 -1,-0.3 0.655 107.3 65.3 -98.2 -17.7 -5.0 -3.2 1.8 24 24 A N H X S+ 0 0 27 -4,-0.6 4,-2.7 -3,-0.2 5,-0.2 0.914 100.3 50.4 -72.0 -40.3 -8.0 -0.8 1.5 25 25 A D H X S+ 0 0 124 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.962 116.6 40.9 -63.1 -47.5 -8.5 -0.5 5.3 26 26 A L H >X S+ 0 0 73 -4,-0.6 4,-1.0 -5,-0.3 3,-0.6 0.939 115.0 51.8 -66.5 -43.4 -4.8 0.4 5.7 27 27 A d H ><>S+ 0 0 2 -4,-2.4 5,-2.7 1,-0.3 3,-1.0 0.919 103.9 57.9 -60.2 -39.6 -4.8 2.6 2.6 28 28 A K H ><5S+ 0 0 101 -4,-2.7 3,-2.2 1,-0.3 -1,-0.3 0.862 96.4 63.2 -60.0 -30.7 -7.8 4.4 4.0 29 29 A G H <<5S+ 0 0 71 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.878 103.6 48.3 -62.0 -31.6 -5.7 5.2 7.1 30 30 A L T <<5S- 0 0 34 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.181 130.0-101.0 -91.8 19.0 -3.5 7.2 4.7 31 31 A K T < 5S+ 0 0 153 -3,-2.2 2,-1.5 18,-0.2 -3,-0.2 0.651 83.1 136.4 72.8 13.4 -6.6 8.8 3.2 32 32 A A < + 0 0 0 -5,-2.7 16,-0.2 1,-0.2 -1,-0.2 -0.523 24.3 172.6 -92.3 73.1 -6.5 6.5 0.2 33 33 A D S S+ 0 0 112 -2,-1.5 2,-2.0 15,-0.3 -1,-0.2 0.945 72.5 56.7 -44.0 -62.0 -10.2 5.6 0.1 34 34 A S E S+B 47 0A 75 13,-0.8 13,-2.1 -3,-0.2 2,-0.5 -0.486 76.7 148.4 -74.1 84.2 -9.9 3.7 -3.2 35 35 A G E +B 46 0A 3 -2,-2.0 2,-0.3 11,-0.3 11,-0.3 -0.943 10.5 154.7-124.3 116.2 -7.2 1.2 -2.0 36 36 A Y E -B 45 0A 77 9,-2.1 9,-1.8 -2,-0.5 2,-0.4 -0.990 33.7-131.4-139.0 147.4 -7.1 -2.4 -3.4 37 37 A b E -B 44 0A 0 -17,-0.7 2,-1.0 -2,-0.3 7,-0.2 -0.798 23.2-121.6-100.3 139.6 -4.4 -5.0 -3.8 38 38 A W > - 0 0 124 5,-1.9 2,-3.7 -2,-0.4 4,-0.8 -0.637 19.3-145.6 -79.7 103.7 -3.7 -6.8 -7.1 39 39 A G T 4 S+ 0 0 70 -2,-1.0 -1,-0.1 1,-0.2 -19,-0.1 -0.256 86.6 50.5 -67.1 65.6 -4.2 -10.5 -6.2 40 40 A W T 4 S- 0 0 207 -2,-3.7 -1,-0.2 3,-0.1 -2,-0.0 0.167 125.9 -53.2-160.2 -65.8 -1.4 -11.5 -8.7 41 41 A T T 4 S+ 0 0 70 -3,-0.2 -2,-0.1 2,-0.2 -27,-0.0 0.186 99.1 100.1 177.6 35.8 1.9 -9.7 -8.5 42 42 A L S < S- 0 0 77 -4,-0.8 -3,-0.1 1,-0.3 -4,-0.1 0.142 74.8-132.5-119.1 20.5 1.3 -5.9 -8.7 43 43 A S - 0 0 26 -5,-0.3 -5,-1.9 -27,-0.1 -1,-0.3 -0.015 53.5 -35.8 55.6-170.4 1.6 -5.0 -5.0 44 44 A c E - B 0 37A 0 -29,-1.7 2,-0.3 -38,-0.4 -7,-0.2 -0.367 55.3-160.0 -79.0 163.1 -1.1 -2.8 -3.4 45 45 A Y E + B 0 36A 56 -9,-1.8 -9,-2.1 -40,-0.2 2,-0.3 -0.775 19.8 159.1-148.0 100.1 -2.7 0.1 -5.4 46 46 A d E -AB 4 35A 0 -42,-1.8 -42,-2.1 -2,-0.3 2,-0.4 -0.924 17.3-163.2-123.3 148.9 -4.5 2.9 -3.6 47 47 A Q E +AB 3 34A 49 -13,-2.1 -13,-0.8 -2,-0.3 -44,-0.3 -0.985 64.2 51.6-131.6 140.2 -5.3 6.5 -4.8 48 48 A G E S+ 0 0 33 -46,-2.6 -15,-0.3 -2,-0.4 -45,-0.2 0.616 73.7 132.5 111.3 20.4 -6.3 9.6 -2.8 49 49 A L E -A 2 0A 2 -47,-1.8 -47,-2.9 -3,-0.2 -1,-0.3 -0.554 62.2 -89.1 -99.5 168.3 -3.4 9.6 -0.2 50 50 A P > - 0 0 56 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.252 39.5-106.0 -70.5 161.2 -1.3 12.5 0.9 51 51 A D T 3 S+ 0 0 138 1,-0.3 -48,-0.0 3,-0.0 -2,-0.0 0.737 123.4 59.6 -62.0 -16.7 2.0 13.3 -1.0 52 52 A N T 3 S+ 0 0 139 2,-0.1 -1,-0.3 -22,-0.1 0, 0.0 0.242 77.6 140.0 -94.8 15.0 3.7 11.8 2.1 53 53 A A < - 0 0 10 -3,-2.3 2,-1.3 1,-0.1 -50,-0.0 -0.201 61.1-116.5 -56.0 149.2 2.0 8.5 1.6 54 54 A R + 0 0 73 -47,-0.1 -47,-2.1 -46,-0.1 2,-0.3 -0.665 61.6 135.8 -92.1 88.6 4.2 5.4 2.2 55 55 A I B +C 6 0B 30 -2,-1.3 -40,-0.0 -49,-0.3 -52,-0.0 -0.936 61.0 9.3-131.8 156.0 4.4 3.7 -1.2 56 56 A K S S+ 0 0 141 -51,-2.0 -1,-0.2 -2,-0.3 -41,-0.0 0.929 70.4 156.1 42.5 56.0 7.3 2.2 -3.3 57 57 A R - 0 0 79 -3,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.551 36.1-150.8 -88.0 -6.0 9.7 2.5 -0.3 58 58 A S + 0 0 98 1,-0.1 -1,-0.1 -47,-0.0 -43,-0.0 0.151 44.3 114.8 57.0 173.2 11.9 -0.2 -1.6 59 59 A G - 0 0 36 2,-0.1 3,-0.2 -48,-0.1 -1,-0.1 0.235 66.1 -94.4 101.4 132.9 13.9 -2.4 0.9 60 60 A R S S- 0 0 222 1,-0.2 -48,-0.2 -46,-0.0 2,-0.1 -0.165 74.7 -47.5 -71.7 173.4 13.5 -6.1 1.5 61 61 A a 0 0 92 -50,-0.3 -50,-0.2 1,-0.2 -1,-0.2 -0.150 360.0 360.0 -43.4 105.0 11.3 -7.4 4.4 62 62 A R 0 0 146 -52,-2.6 -1,-0.2 -3,-0.2 -51,-0.1 -0.219 360.0 360.0 -87.0 360.0 12.6 -5.1 7.2