==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 22-APR-08 2VSA . COMPND 2 MOLECULE: MOSQUITOCIDAL TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSINIBACILLUS SPHAERICUS; . AUTHOR N.TREIBER,D.J.REINERT,I.CARPUSCA,K.AKTORIES,G.E.SCHULZ . 822 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 280 34.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 0.1 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 . 103 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 1 0 0 2 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 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 PARALLEL BRIDGES PER LADDER . 26 16 5 6 14 5 1 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 1 0 0 0 0 0 1 0 0 0 0 0 0 3 1 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 32 A P 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.7 40.8 15.4 9.5 2 33 A N + 0 0 151 1,-0.2 3,-0.1 39,-0.0 0, 0.0 0.427 360.0 125.0 78.0 3.1 40.2 12.5 7.1 3 34 A S S S- 0 0 42 1,-0.2 -1,-0.2 2,-0.1 20,-0.1 -0.237 74.9 -58.4 -77.3 175.5 41.4 9.6 9.4 4 35 A P - 0 0 26 0, 0.0 -1,-0.2 0, 0.0 19,-0.1 -0.210 43.5-125.3 -55.9 148.7 39.2 6.6 10.2 5 36 A K S S- 0 0 213 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.779 85.5 -4.3 -64.6 -30.2 35.8 7.2 11.8 6 37 A D S > S- 0 0 85 16,-0.0 3,-0.7 17,-0.0 -1,-0.1 -0.956 81.3 -85.6-156.4 171.3 36.6 4.8 14.7 7 38 A N G >> S+ 0 0 61 -2,-0.3 3,-3.1 1,-0.2 4,-0.7 0.607 88.6 107.5 -51.9 -21.1 39.1 2.3 16.2 8 39 A T G >4 + 0 0 27 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.782 68.8 60.2 -39.0 -52.0 37.7 -0.5 14.2 9 40 A W G <4 S+ 0 0 5 -3,-0.7 138,-2.1 1,-0.3 -1,-0.3 0.693 119.6 28.0 -50.1 -25.5 40.7 -0.8 11.8 10 41 A I G X4 S+ 0 0 1 -3,-3.1 3,-2.0 9,-0.2 -1,-0.3 0.302 84.3 108.3-120.4 10.3 43.0 -1.6 14.8 11 42 A Q T << S+ 0 0 62 -3,-1.7 -2,-0.1 -4,-0.7 135,-0.1 0.691 77.1 60.3 -58.6 -21.4 40.8 -3.2 17.3 12 43 A A T 3 S+ 0 0 1 133,-0.5 159,-1.7 -4,-0.4 -1,-0.3 0.685 77.7 143.4 -75.6 -17.1 42.4 -6.5 16.7 13 44 A A < - 0 0 1 -3,-2.0 157,-0.3 154,-0.2 156,-0.2 0.136 43.5-162.0 -40.8 122.0 45.7 -5.1 17.8 14 45 A S S S+ 0 0 21 154,-0.8 2,-1.9 66,-0.4 155,-0.2 0.925 91.4 70.9 -64.6 -46.4 47.9 -7.5 19.7 15 46 A L S > S- 0 0 12 153,-3.1 3,-2.6 1,-0.2 4,-0.4 -0.515 77.4-173.2 -67.2 78.4 49.7 -4.3 20.8 16 47 A T G > S+ 0 0 37 -2,-1.9 3,-1.2 1,-0.3 4,-0.3 0.755 73.2 66.0 -56.1 -31.9 46.7 -3.3 22.9 17 48 A W G 3 S+ 0 0 50 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.655 95.8 61.4 -64.5 -10.9 48.0 0.1 23.9 18 49 A L G X S+ 0 0 1 -3,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.751 78.8 86.1 -89.0 -25.0 47.6 1.1 20.2 19 50 A M T < S+ 0 0 52 -3,-1.2 3,-0.4 -4,-0.4 -1,-0.2 0.723 92.0 43.2 -52.4 -34.8 43.8 0.5 20.0 20 51 A D T 3 S+ 0 0 86 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.074 97.1 79.0-108.8 39.0 42.8 4.0 21.2 21 52 A M <> + 0 0 4 -3,-1.8 4,-3.2 1,-0.1 5,-0.2 -0.062 49.4 132.7-130.1 25.4 45.5 5.9 19.1 22 53 A S H > S+ 0 0 12 -3,-0.4 4,-2.9 1,-0.2 5,-0.3 0.935 70.3 49.0 -41.1 -66.5 43.7 5.8 15.8 23 54 A S H > S+ 0 0 85 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.851 115.4 44.6 -52.8 -41.4 44.2 9.4 14.9 24 55 A L H > S+ 0 0 15 610,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.921 113.6 50.1 -66.5 -44.7 47.9 9.4 15.7 25 56 A L H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 5,-0.2 0.845 108.5 51.5 -67.2 -33.7 48.4 6.1 13.9 26 57 A Y H X S+ 0 0 37 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.988 110.7 50.2 -61.6 -51.8 46.7 7.3 10.8 27 58 A Q H X S+ 0 0 45 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.873 112.4 46.5 -50.9 -44.8 48.9 10.3 10.8 28 59 A L H X S+ 0 0 1 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.904 114.1 45.2 -72.4 -44.3 52.1 8.3 11.2 29 60 A I H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 69,-0.3 0.913 115.8 49.9 -60.7 -41.5 51.3 5.7 8.6 30 61 A S H >< S+ 0 0 30 -4,-2.9 3,-1.5 -5,-0.2 -2,-0.2 0.780 94.3 65.8 -73.9 -37.7 50.2 8.5 6.1 31 62 A T H 3< S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.3 788,-0.2 0.872 105.1 48.6 -55.8 -36.9 53.1 11.0 6.2 32 63 A R T 3< S+ 0 0 4 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.591 97.8 83.2 -78.0 -12.3 55.4 8.4 4.7 33 64 A I S < S- 0 0 22 -3,-1.5 2,-0.3 -4,-0.2 787,-0.1 -0.824 76.0-141.0 -99.3 119.2 52.8 7.6 2.0 34 65 A P >> - 0 0 12 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.601 20.8-113.3 -87.5 141.3 52.9 10.0 -1.0 35 66 A S G >4 S+ 0 0 60 -2,-0.3 3,-1.0 1,-0.3 6,-0.2 0.773 113.4 54.9 -30.6 -52.3 49.6 11.2 -2.7 36 67 A F G 34 S+ 0 0 143 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.879 104.6 52.9 -58.7 -41.4 50.4 9.3 -6.0 37 68 A A G <4 S+ 0 0 9 -3,-1.4 118,-1.1 1,-0.3 -1,-0.2 0.627 122.7 27.8 -70.8 -18.8 50.8 5.9 -4.3 38 69 A S X< - 0 0 10 -3,-1.0 3,-0.9 -4,-0.8 -1,-0.3 -0.739 67.1-177.8-146.3 91.7 47.4 6.1 -2.6 39 70 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.868 88.5 23.9 -60.0 -40.9 44.9 8.3 -4.5 40 71 A N T 3 S- 0 0 158 1,-0.4 114,-0.1 112,-0.2 -5,-0.0 0.027 115.2-106.3-116.9 22.3 42.1 8.0 -1.9 41 72 A G < - 0 0 21 -3,-0.9 -1,-0.4 -6,-0.2 2,-0.1 -0.003 64.9 -30.4 76.0 173.1 44.1 7.2 1.3 42 73 A L - 0 0 15 -4,-0.1 2,-0.5 -3,-0.1 111,-0.1 -0.416 63.3-138.1 -57.4 131.2 44.4 3.8 3.0 43 74 A H E -A 149 0A 69 106,-0.6 106,-1.8 -2,-0.1 2,-0.2 -0.878 17.6-150.6 -92.8 124.8 41.1 1.9 2.5 44 75 A M E -A 148 0A 33 -2,-0.5 2,-0.5 104,-0.2 104,-0.2 -0.636 29.3 -90.5 -89.2 153.8 40.1 0.1 5.7 45 76 A R - 0 0 23 102,-2.5 3,-0.4 -2,-0.2 101,-0.2 -0.528 41.9-152.1 -66.0 116.3 38.1 -3.2 5.8 46 77 A E S S+ 0 0 130 -2,-0.5 2,-0.1 1,-0.2 -1,-0.0 -0.418 71.7 22.8 -80.8 162.1 34.4 -2.6 5.8 47 78 A Q S S+ 0 0 136 1,-0.1 -1,-0.2 -2,-0.1 10,-0.2 0.162 75.3 125.3 73.1 -15.7 31.9 -5.0 7.4 48 79 A T S S+ 0 0 4 -3,-0.4 9,-2.8 -2,-0.1 2,-0.3 0.733 75.8 42.5 -47.0 -32.2 34.4 -6.8 9.8 49 80 A I B S-I 56 0B 36 7,-0.2 2,-0.2 96,-0.0 7,-0.2 -0.753 91.4-117.1-109.9 158.0 32.1 -6.1 12.7 50 81 A D - 0 0 51 5,-1.2 -2,-0.0 -2,-0.3 4,-0.0 -0.594 8.3-154.0 -91.0 159.1 28.4 -6.4 12.8 51 82 A S S S+ 0 0 123 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.379 97.0 49.7-114.1 -0.5 26.0 -3.4 13.3 52 83 A N S S+ 0 0 155 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.488 135.3 9.5 -99.8 -10.8 23.2 -5.4 14.8 53 84 A T S S- 0 0 89 2,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.566 82.6-133.7-138.4 -29.6 25.5 -7.2 17.3 54 85 A G + 0 0 39 1,-0.3 2,-0.1 -4,-0.0 -3,-0.1 0.329 64.1 128.4 82.2 -7.8 29.0 -5.6 17.3 55 86 A Q S S- 0 0 51 -6,-0.1 -5,-1.2 1,-0.1 -1,-0.3 -0.466 70.8 -84.9 -85.0 155.8 30.6 -9.1 17.1 56 87 A I B -I 49 0B 22 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.330 46.0-114.8 -63.3 129.9 33.2 -10.2 14.6 57 88 A Q - 0 0 55 -9,-2.8 2,-0.3 -10,-0.2 -1,-0.1 -0.494 26.0-167.9 -71.2 123.4 31.8 -11.4 11.3 58 89 A I + 0 0 44 -2,-0.3 2,-0.2 85,-0.1 -1,-0.1 -0.411 43.0 115.7-115.3 58.8 32.5 -15.0 10.7 59 90 A D S S- 0 0 59 -2,-0.3 3,-0.2 1,-0.1 -2,-0.0 -0.561 78.3-101.0-111.8 177.3 31.6 -15.5 7.1 60 91 A N S > S+ 0 0 84 1,-0.2 3,-2.8 -2,-0.2 55,-0.3 0.960 114.2 66.0 -62.7 -51.3 33.6 -16.4 4.0 61 92 A E T 3 S+ 0 0 108 1,-0.3 -1,-0.2 53,-0.1 54,-0.1 0.784 113.1 31.2 -36.0 -47.5 33.8 -12.8 2.8 62 93 A H T 3 S+ 0 0 16 -3,-0.2 2,-0.4 -15,-0.1 82,-0.3 0.035 85.5 127.4-113.3 22.9 36.0 -11.8 5.7 63 94 A R < - 0 0 11 -3,-2.8 52,-1.9 52,-0.1 2,-0.3 -0.668 38.7-171.1 -77.5 132.6 37.8 -15.0 6.4 64 95 A L E -BC 114 142A 0 78,-2.2 78,-2.8 -2,-0.4 2,-0.3 -0.852 10.7-158.2-123.8 164.9 41.6 -14.5 6.5 65 96 A L E -BC 113 141A 0 48,-2.2 48,-2.5 -2,-0.3 2,-0.4 -0.993 1.7-160.2-142.0 143.1 44.6 -16.7 6.7 66 97 A R E - C 0 140A 0 74,-2.1 74,-2.8 -2,-0.3 2,-0.6 -0.993 12.4-145.0-129.5 130.1 48.2 -16.3 7.8 67 98 A W E + C 0 139A 10 -2,-0.4 2,-0.3 72,-0.2 72,-0.2 -0.812 35.0 161.8 -87.4 120.3 51.0 -18.4 6.8 68 99 A D E - C 0 138A 1 70,-2.7 70,-2.9 -2,-0.6 163,-0.1 -0.998 43.0-149.8-142.8 144.9 53.4 -18.7 9.7 69 100 A R S S+ 0 0 47 161,-0.4 157,-0.3 -2,-0.3 -1,-0.1 0.595 73.1 102.3 -88.5 -8.3 56.2 -21.0 10.7 70 101 A R S S- 0 0 44 160,-0.2 -2,-0.1 68,-0.1 155,-0.1 -0.566 72.7-125.7 -79.0 131.0 55.4 -20.5 14.3 71 102 A P >> - 0 0 3 0, 0.0 4,-3.3 0, 0.0 3,-0.8 -0.146 20.8-107.9 -69.5 166.0 53.5 -23.3 16.1 72 103 A P H 3>>S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.7 0.925 114.0 69.4 -61.5 -44.5 50.2 -22.9 18.1 73 104 A N H 345S+ 0 0 18 149,-1.9 145,-0.2 1,-0.2 150,-0.1 0.767 118.3 26.5 -45.1 -27.3 51.9 -23.5 21.4 74 105 A D H X>5S+ 0 0 47 -3,-0.8 4,-2.0 148,-0.3 3,-1.2 0.860 128.4 41.3 -94.0 -63.0 53.3 -20.1 20.6 75 106 A I H 3X5S+ 0 0 0 -4,-3.3 4,-3.2 1,-0.3 -2,-0.2 0.845 109.9 53.5 -63.3 -45.4 50.8 -18.5 18.3 76 107 A F H 3<5S+ 0 0 3 -4,-1.9 -1,-0.3 1,-0.2 -3,-0.1 0.602 119.5 37.4 -66.9 -12.7 47.5 -19.5 20.0 77 108 A L H <4 - 0 0 23 1,-0.1 5,-1.8 -2,-0.0 3,-0.2 -0.955 18.6-149.0-123.2 140.6 58.2 6.4 15.0 91 122 A P T 5S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 0.579 90.9 75.1 -77.2 -6.7 57.0 7.3 11.5 92 123 A V T 5S- 0 0 10 592,-0.1 593,-0.1 3,-0.1 -3,-0.0 0.941 127.5 -30.2 -73.5 -43.1 60.4 6.6 10.1 93 124 A E T > 5S+ 0 0 36 -3,-0.2 3,-1.9 591,-0.1 15,-0.2 0.535 124.6 74.3-139.5 -48.6 60.3 2.8 10.2 94 125 A D T 3 5S+ 0 0 7 1,-0.3 14,-2.1 13,-0.2 15,-0.2 0.862 120.1 20.1 -43.0 -44.9 58.1 1.6 13.0 95 126 A T T 3 + 0 0 3 -3,-1.9 4,-2.1 1,-0.2 5,-0.2 -0.467 28.1 173.7 -77.6 87.0 56.4 2.8 7.6 97 128 A L H > S+ 0 0 0 -2,-1.8 4,-2.4 1,-0.2 5,-0.3 0.949 72.6 50.9 -62.3 -55.3 53.8 0.7 5.9 98 129 A L H > S+ 0 0 7 -69,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.810 111.8 48.9 -53.7 -34.9 54.9 1.2 2.3 99 130 A N H > S+ 0 0 28 2,-0.2 4,-0.7 1,-0.2 5,-0.4 0.888 109.3 51.0 -74.7 -40.7 58.5 0.2 3.2 100 131 A Y H >X S+ 0 0 7 -4,-2.1 4,-2.9 3,-0.2 3,-0.8 0.928 111.5 48.1 -57.5 -49.2 57.4 -2.9 5.1 101 132 A L H 3< S+ 0 0 11 -4,-2.4 135,-0.3 1,-0.2 -1,-0.2 0.830 119.0 40.8 -59.0 -32.2 55.3 -4.1 2.1 102 133 A R H 3< S+ 0 0 93 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.499 137.2 12.4 -97.0 -3.5 58.2 -3.3 -0.2 103 134 A T H << S- 0 0 74 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.2 0.573 86.3-122.1-144.2 -32.6 61.0 -4.7 2.0 104 135 A N < + 0 0 12 -4,-2.9 -4,-0.2 -5,-0.4 -3,-0.1 0.850 53.2 169.0 73.5 36.0 59.6 -6.7 4.9 105 136 A S - 0 0 9 -6,-0.3 -1,-0.2 -9,-0.1 -22,-0.1 -0.468 47.6 -81.6 -76.8 154.7 61.4 -4.3 7.1 106 137 A P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.273 70.5 142.4 -63.2 148.5 60.5 -4.5 10.8 107 138 A S - 0 0 2 2,-0.2 -23,-1.4 -12,-0.1 -24,-0.4 -0.946 65.3 -93.7-171.2 175.1 57.3 -2.6 11.6 108 139 A I S S+ 0 0 0 -14,-2.1 60,-2.8 -2,-0.3 2,-0.3 0.354 88.2 112.0 -89.9 10.3 54.2 -2.8 13.8 109 140 A F E - D 0 167A 0 -15,-0.2 2,-0.5 58,-0.2 -26,-0.4 -0.653 45.9-171.2 -98.0 135.2 52.4 -4.5 10.9 110 141 A V E - D 0 166A 0 56,-2.4 56,-4.5 -2,-0.3 2,-0.2 -0.992 17.6-152.5-122.6 124.4 51.1 -8.0 10.7 111 142 A S E + D 0 165A 0 -2,-0.5 2,-0.3 54,-0.3 54,-0.2 -0.558 16.0 175.0 -97.3 157.1 49.8 -9.2 7.3 112 143 A T E - D 0 164A 0 52,-1.1 52,-2.9 -2,-0.2 2,-0.4 -0.888 20.8-131.5-144.5 174.8 47.3 -11.7 6.3 113 144 A T E -BD 65 163A 0 -48,-2.5 -48,-2.2 -2,-0.3 50,-0.2 -0.998 24.9-111.1-138.6 137.7 45.7 -12.9 3.1 114 145 A R E -B 64 0A 73 48,-1.4 13,-0.5 -2,-0.4 -50,-0.2 -0.202 30.7-113.8 -62.6 152.1 42.0 -13.4 2.3 115 146 A A - 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