==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-MAR-11 2YEO . COMPND 2 MOLECULE: ALPHA-INSECT TOXIN LQHAIT; . SOURCE 2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS; . AUTHOR F.FROLOW,R.KAHN,M.GUREVITZ . 65 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 60.0 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 . 21 32.3 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 1 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 1 0 1 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 . 1 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 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 M 0 0 179 0, 0.0 53,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.5 35.0 37.7 20.6 2 2 A V E -A 53 0A 84 51,-0.2 2,-0.3 52,-0.1 49,-0.1 -0.852 360.0-177.3-119.8 160.5 31.7 39.1 19.2 3 3 A R E -A 52 0A 66 49,-1.5 49,-2.5 -2,-0.3 2,-0.4 -0.988 32.6-112.5-153.2 154.1 30.8 42.6 18.2 4 4 A D E + 0 0 86 -2,-0.3 2,-0.3 47,-0.2 46,-0.2 -0.774 63.1 128.0 -85.9 131.6 27.8 44.5 16.9 5 5 A A E -A 49 0A 6 44,-2.2 44,-3.1 -2,-0.4 2,-0.7 -0.989 65.8 -78.3-169.6 166.5 28.6 45.7 13.4 6 6 A Y E -A 48 0A 23 -2,-0.3 53,-2.4 53,-0.3 42,-0.2 -0.772 52.0-126.7 -80.1 116.0 27.7 45.9 9.7 7 7 A I B -D 58 0B 2 -2,-0.7 8,-0.7 40,-0.6 2,-0.3 -0.381 33.5-153.8 -60.1 141.2 28.5 42.4 8.3 8 8 A A E -E 14 0C 5 49,-2.5 2,-0.3 6,-0.2 6,-0.2 -0.811 17.2-161.7-123.1 161.3 30.8 42.8 5.2 9 9 A K E > -E 13 0C 94 4,-2.3 4,-2.1 -2,-0.3 3,-0.3 -0.798 56.3 -16.8-130.2 171.7 31.7 41.1 2.0 10 10 A N T 4 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.3 54,-0.1 -0.283 126.9 3.7 -58.3 127.4 34.7 41.4 -0.3 11 11 A Y T 4 S- 0 0 149 52,-0.1 54,-2.7 -3,-0.0 -1,-0.3 0.294 123.2 -57.2-119.4 116.1 36.2 43.9 0.1 12 12 A N T 4 S+ 0 0 36 -3,-0.3 2,-0.4 1,-0.2 -2,-0.2 0.884 89.2 140.3 63.9 44.1 35.0 46.1 3.0 13 13 A a E < -E 9 0C 8 -4,-2.1 -4,-2.3 51,-0.1 -1,-0.2 -0.955 46.1-132.7-121.7 134.2 31.5 46.4 1.6 14 14 A V E -E 8 0C 21 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.245 23.6-112.6 -70.9 167.7 28.2 46.3 3.5 15 15 A Y - 0 0 59 -8,-0.7 32,-2.5 32,-0.3 -8,-0.1 -0.931 31.2-141.3 -97.1 120.9 25.2 44.2 2.5 16 16 A E B +B 46 0A 144 -2,-0.6 2,-0.3 30,-0.2 30,-0.3 -0.318 27.7 175.9 -74.7 166.1 22.3 46.4 1.4 17 17 A b - 0 0 20 28,-1.4 3,-0.1 21,-0.1 28,-0.0 -0.992 39.2-166.7-162.6 162.4 18.8 45.5 2.4 18 18 A F S S+ 0 0 150 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.604 79.1 52.9-117.9 -47.5 15.1 46.3 2.4 19 19 A R > - 0 0 133 1,-0.1 4,-1.4 17,-0.1 3,-0.4 -0.753 67.3-139.5-100.0 139.5 13.6 43.8 4.9 20 20 A D H > S+ 0 0 92 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.867 105.3 58.9 -55.8 -40.6 14.7 43.1 8.5 21 21 A A H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.842 99.5 57.3 -65.5 -33.7 14.2 39.3 7.9 22 22 A Y H > S+ 0 0 94 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.950 113.1 39.9 -56.9 -50.8 16.7 39.4 5.1 23 23 A c H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.860 112.6 54.6 -70.0 -36.5 19.3 40.8 7.5 24 24 A N H X S+ 0 0 60 -4,-2.7 4,-2.7 11,-0.2 5,-0.3 0.933 111.2 46.0 -64.0 -41.4 18.3 38.6 10.4 25 25 A E H X S+ 0 0 92 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.940 115.8 46.0 -62.6 -48.3 18.7 35.5 8.2 26 26 A L H X S+ 0 0 23 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.937 116.6 43.8 -59.6 -50.2 22.1 36.7 6.9 27 27 A d H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 3,-0.5 0.942 115.5 46.2 -65.2 -47.7 23.4 37.7 10.3 28 28 A T H ><5S+ 0 0 58 -4,-2.7 3,-1.9 -5,-0.3 -1,-0.2 0.870 106.9 57.9 -67.1 -35.7 22.2 34.6 12.2 29 29 A K H 3<5S+ 0 0 169 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.833 108.2 50.0 -58.1 -31.0 23.6 32.3 9.5 30 30 A N T 3<5S- 0 0 64 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.213 131.3 -94.7 -95.8 15.7 26.9 33.9 10.2 31 31 A G T < 5S+ 0 0 47 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.403 77.5 138.3 94.2 -1.6 26.6 33.4 14.0 32 32 A A < - 0 0 8 -5,-2.5 -1,-0.3 -6,-0.2 19,-0.2 -0.299 61.7-123.0 -68.0 160.3 25.1 36.7 15.2 33 33 A S S S- 0 0 82 17,-2.3 2,-0.3 1,-0.3 18,-0.1 0.866 82.4 -43.8 -69.1 -35.5 22.4 36.7 17.8 34 34 A S E -C 50 0A 44 16,-0.8 16,-2.8 -7,-0.1 -1,-0.3 -0.946 57.6-156.2-172.4 176.8 20.1 38.6 15.3 35 35 A G E -C 49 0A 9 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.969 2.7-160.1-158.8 174.3 20.2 41.5 12.8 36 36 A Y E -C 48 0A 80 12,-2.2 12,-2.6 -2,-0.3 2,-0.8 -0.943 31.7 -96.5-152.6 167.6 18.0 44.0 11.1 37 37 A b E -C 47 0A 7 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.843 35.4-153.6 -95.4 105.4 17.9 46.3 8.1 38 38 A Q E -C 46 0A 44 8,-2.5 8,-1.6 -2,-0.8 2,-0.4 -0.688 10.4-150.9 -78.3 123.9 18.9 49.8 9.1 39 39 A W E S+ 0 0 142 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.801 70.1 1.5 -96.3 141.2 17.4 52.4 6.8 40 40 A L E S+ 0 0 159 -2,-0.4 -1,-0.2 1,-0.1 5,-0.2 0.830 96.8 139.2 58.5 38.7 19.0 55.8 6.1 41 41 A G E > S-C 44 0A 25 3,-2.4 3,-2.0 -3,-0.4 -1,-0.1 -0.151 71.9 -67.0 -99.2-165.3 22.1 55.0 8.2 42 42 A K T 3 S+ 0 0 157 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.807 136.4 30.6 -56.1 -35.5 25.8 55.6 7.8 43 43 A Y T 3 S- 0 0 51 1,-0.4 2,-0.3 -5,-0.1 -1,-0.3 -0.062 116.6-110.1-116.1 32.7 26.1 53.1 4.9 44 44 A G E < S- C 0 41A 31 -3,-2.0 -3,-2.4 2,-0.1 2,-0.9 -0.633 84.0 -6.8 79.8-136.0 22.6 53.7 3.5 45 45 A N E S+ 0 0 54 -2,-0.3 -28,-1.4 -6,-0.2 2,-0.3 -0.880 94.9 150.0 -98.9 102.0 20.1 50.9 3.8 46 46 A A E -BC 16 38A 0 -8,-1.6 -8,-2.5 -2,-0.9 2,-0.4 -0.945 49.7 -95.3-141.5 155.4 22.3 48.1 5.2 47 47 A c E - C 0 37A 0 -32,-2.5 -40,-0.6 -2,-0.3 2,-0.5 -0.569 31.8-165.7 -78.4 127.8 22.4 45.1 7.5 48 48 A W E -AC 6 36A 57 -12,-2.6 -12,-2.2 -2,-0.4 2,-0.4 -0.952 7.6-158.9-112.6 128.6 23.4 45.5 11.1 49 49 A d E -AC 5 35A 0 -44,-3.1 -44,-2.2 -2,-0.5 2,-0.4 -0.877 8.9-140.7-111.7 141.9 24.2 42.4 13.2 50 50 A Y E S- C 0 34A 84 -16,-2.8 -17,-2.3 -2,-0.4 -16,-0.8 -0.833 83.1 -3.9 -97.3 133.4 24.3 42.0 16.9 51 51 A A E S- 0 0 26 -2,-0.4 -47,-0.2 -19,-0.2 -1,-0.2 0.903 80.1-179.6 53.8 48.8 27.0 39.9 18.5 52 52 A L E -A 3 0A 0 -49,-2.5 -49,-1.5 -3,-0.4 -1,-0.2 -0.664 31.2-114.1 -78.4 123.1 28.6 38.9 15.2 53 53 A P E > -A 2 0A 33 0, 0.0 3,-1.8 0, 0.0 -51,-0.2 -0.253 21.3-117.6 -59.6 150.6 31.7 36.6 15.8 54 54 A D T 3 S+ 0 0 97 -53,-2.5 -52,-0.1 1,-0.3 4,-0.1 0.416 106.9 75.2 -77.5 4.1 35.0 38.0 14.8 55 55 A N T 3 S+ 0 0 133 -54,-0.2 -1,-0.3 2,-0.1 -53,-0.1 0.364 86.5 77.7 -86.3 3.5 35.7 35.3 12.2 56 56 A V S < S- 0 0 13 -3,-1.8 -4,-0.0 -4,-0.1 -26,-0.0 -0.961 90.3-118.1-111.9 127.9 33.1 37.2 10.1 57 57 A P - 0 0 76 0, 0.0 -49,-2.5 0, 0.0 2,-0.3 -0.286 31.0-164.5 -65.0 150.9 34.3 40.4 8.3 58 58 A I B -D 7 0B 42 -51,-0.3 2,-0.3 -4,-0.1 -51,-0.2 -0.858 29.4 -88.8-129.4 163.7 32.8 43.7 9.2 59 59 A R + 0 0 39 -53,-2.4 -53,-0.3 -2,-0.3 -46,-0.1 -0.566 47.2 178.9 -73.7 129.2 32.7 47.2 7.6 60 60 A V - 0 0 72 -2,-0.3 0, 0.0 3,-0.1 0, 0.0 -0.854 42.9 -68.4-124.7 165.1 35.5 49.4 8.9 61 61 A P S S+ 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.240 96.5 52.1 -55.5 136.7 36.4 53.0 7.9 62 62 A G S S- 0 0 53 -3,-0.0 2,-0.2 2,-0.0 -2,-0.0 -0.795 90.2 -29.3 130.2-172.7 37.6 53.3 4.4 63 63 A K - 0 0 144 -2,-0.3 2,-0.5 -50,-0.0 -3,-0.1 -0.487 43.5-128.6 -84.9 147.1 36.5 52.3 0.8 64 64 A a 0 0 71 -2,-0.2 -52,-0.2 -54,-0.1 -51,-0.1 -0.841 360.0 360.0 -84.0 128.7 34.5 49.4 -0.4 65 65 A R 0 0 216 -54,-2.7 -52,-0.1 -2,-0.5 0, 0.0 -0.740 360.0 360.0-128.8 360.0 36.5 47.8 -3.1