==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 05-OCT-05 2D42 . COMPND 2 MOLECULE: NON-TOXIC CRYSTAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR T.AKIBA,K.HIGUCHI,E.MIZUKI,K.EKINO,T.SHIN,M.OHBA,R.KANAI, . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 43.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 67 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 5 1 0 2 2 2 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 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 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 2 A A 0 0 79 0, 0.0 91,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-178.1 20.3 44.4 7.9 2 3 A I E -a 92 0A 41 89,-0.2 2,-0.5 123,-0.1 91,-0.3 -0.911 360.0-135.2-108.6 121.8 21.9 44.8 4.4 3 4 A I E -a 93 0A 36 89,-3.0 91,-2.3 -2,-0.5 2,-0.8 -0.615 18.2-146.7 -73.3 120.9 20.2 43.1 1.4 4 5 A N E > -a 94 0A 62 -2,-0.5 4,-2.0 89,-0.2 3,-0.3 -0.816 6.6-161.4 -92.9 110.0 23.0 41.4 -0.5 5 6 A L H > S+ 0 0 0 89,-2.9 4,-1.8 -2,-0.8 90,-0.2 0.809 89.9 52.8 -59.8 -34.6 22.0 41.7 -4.2 6 7 A L H > S+ 0 0 65 88,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.856 107.9 52.3 -69.3 -34.9 24.3 38.9 -5.3 7 8 A R H > S+ 0 0 121 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.904 108.1 50.7 -65.4 -42.2 22.8 36.6 -2.6 8 9 A E H X S+ 0 0 23 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.884 108.8 52.4 -62.2 -39.1 19.3 37.4 -4.0 9 10 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.926 109.9 48.4 -62.5 -45.1 20.6 36.5 -7.5 10 11 A E H X S+ 0 0 74 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.925 111.6 49.6 -61.2 -45.3 21.9 33.2 -6.1 11 12 A I H X S+ 0 0 58 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.920 111.5 48.9 -60.5 -45.1 18.5 32.5 -4.4 12 13 A Y H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.922 112.8 47.8 -60.4 -45.4 16.7 33.3 -7.6 13 14 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.872 109.2 52.7 -64.8 -39.1 18.9 31.0 -9.6 14 15 A M H X S+ 0 0 99 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.889 113.7 42.7 -65.6 -38.6 18.7 28.1 -7.2 15 16 A Q H X S+ 0 0 82 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.877 113.1 52.6 -74.3 -37.8 14.9 28.2 -7.3 16 17 A Y H X S+ 0 0 46 -4,-2.3 4,-1.8 -5,-0.2 6,-0.2 0.903 109.0 51.7 -62.8 -41.2 14.8 28.7 -11.0 17 18 A A H <>S+ 0 0 4 -4,-2.3 5,-2.7 2,-0.2 4,-0.5 0.944 111.3 44.2 -60.6 -53.5 17.0 25.6 -11.4 18 19 A N H ><5S+ 0 0 126 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.901 114.3 53.1 -58.5 -40.1 14.9 23.4 -9.3 19 20 A S H 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 116.4 36.4 -66.1 -31.3 11.9 24.8 -11.1 20 21 A H T 3<5S- 0 0 78 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.208 112.9-111.5-107.9 12.5 13.3 24.0 -14.6 21 22 A Q T < 5S+ 0 0 157 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.2 0.789 75.3 131.0 62.5 30.5 15.0 20.7 -13.7 22 23 A Y < - 0 0 60 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.591 61.9-114.7-105.1 170.8 18.5 22.2 -14.1 23 24 A T E -B 182 0B 58 159,-2.1 159,-1.4 -2,-0.2 2,-0.4 -0.939 31.5-123.7-107.3 124.0 21.5 22.1 -11.9 24 25 A Y E +B 181 0B 51 -2,-0.5 157,-0.2 157,-0.2 3,-0.1 -0.532 34.5 173.9 -68.0 122.9 22.4 25.6 -10.5 25 26 A G E - 0 0 38 155,-2.9 2,-0.3 1,-0.4 156,-0.2 0.899 50.1 -54.4 -94.4 -63.3 26.0 26.2 -11.5 26 27 A S E -B 180 0B 46 154,-1.3 154,-3.5 2,-0.0 -1,-0.4 -0.963 41.8-149.5-167.4 175.0 26.9 29.7 -10.5 27 28 A S E +B 179 0B 26 -2,-0.3 2,-0.3 152,-0.3 152,-0.2 -0.981 17.6 160.2-157.8 151.9 25.8 33.4 -10.9 28 29 A Y E -B 178 0B 94 150,-2.3 150,-3.5 -2,-0.3 2,-0.1 -0.966 45.4 -69.5-163.5 170.5 27.5 36.8 -11.0 29 30 A S E -B 177 0B 30 -2,-0.3 2,-0.7 148,-0.2 148,-0.3 -0.446 50.9-112.0 -71.8 144.4 27.0 40.4 -12.0 30 31 A D > - 0 0 13 146,-2.6 3,-2.1 3,-0.4 146,-0.3 -0.685 19.3-150.7 -81.4 111.3 27.0 41.1 -15.8 31 32 A D T 3 S+ 0 0 151 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.736 94.1 53.9 -54.1 -27.7 30.1 43.2 -16.7 32 33 A T T 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.576 133.2 8.8 -86.1 -8.1 28.4 44.9 -19.6 33 34 A N S < S- 0 0 67 -3,-2.1 143,-3.4 143,-0.2 -3,-0.4 -0.362 92.2-160.6-166.3 69.3 25.5 46.2 -17.4 34 35 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 143,-0.1 -0.096 31.4 -94.6 -60.6 153.4 26.4 45.3 -13.8 35 36 A I - 0 0 10 141,-0.4 2,-0.3 140,-0.2 140,-0.3 -0.539 64.7-178.8 -63.0 126.0 24.0 45.1 -10.9 36 37 A R E -D 174 0C 119 138,-3.3 138,-1.7 -2,-0.3 2,-0.5 -0.940 36.8-141.4-139.8 163.3 24.3 48.6 -9.5 37 38 A I E +D 173 0C 16 -2,-0.3 2,-0.3 136,-0.2 136,-0.2 -0.976 36.0 161.4-118.7 127.3 23.2 51.0 -6.9 38 39 A A E +D 172 0C 40 134,-2.5 134,-3.8 -2,-0.5 -2,-0.0 -0.927 43.4 40.4-143.4 167.6 22.7 54.6 -8.0 39 40 A G E S- 0 0 60 -2,-0.3 -1,-0.1 132,-0.2 131,-0.1 0.892 70.7-160.2 60.9 41.1 21.0 57.9 -7.0 40 41 A L E + 0 0 44 -3,-0.1 2,-0.3 131,-0.1 131,-0.2 -0.304 16.9 173.7 -54.6 127.9 22.0 57.5 -3.3 41 42 A D E -D 170 0C 81 129,-2.9 129,-3.2 60,-0.1 2,-0.4 -0.997 20.3-172.4-142.4 145.8 19.7 59.7 -1.1 42 43 A A E +D 169 0C 2 -2,-0.3 62,-0.3 127,-0.2 2,-0.3 -0.922 13.4 177.9-140.5 110.9 19.2 60.2 2.6 43 44 A R E -D 168 0C 113 125,-2.1 125,-2.8 -2,-0.4 62,-0.1 -0.774 25.9-133.7-114.4 160.6 16.4 62.3 4.0 44 45 A I - 0 0 18 -2,-0.3 123,-0.2 123,-0.2 -2,-0.0 -0.919 9.5-162.6-113.6 103.6 15.3 63.2 7.5 45 46 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 0.787 87.8 43.9 -57.8 -27.7 11.5 62.9 7.9 46 47 A D + 0 0 90 120,-0.4 120,-0.1 1,-0.1 61,-0.0 -0.781 64.1 167.3-121.1 86.6 11.5 65.0 11.1 47 48 A P + 0 0 49 0, 0.0 61,-2.8 0, 0.0 2,-0.9 0.382 46.3 104.5 -78.7 3.0 13.8 68.0 10.5 48 49 A I E -q 108 0D 60 59,-0.2 2,-0.5 61,-0.1 61,-0.2 -0.775 59.8-158.3 -90.4 105.4 12.6 69.8 13.6 49 50 A V E +q 109 0D 0 59,-3.0 61,-1.5 -2,-0.9 62,-0.5 -0.722 16.8 179.6 -86.1 128.3 15.4 69.5 16.2 50 51 A T + 0 0 82 -2,-0.5 -1,-0.1 60,-0.2 113,-0.1 0.477 40.9 120.9-105.2 -3.2 14.3 70.0 19.8 51 52 A D - 0 0 54 111,-0.3 60,-0.4 1,-0.1 111,-0.1 -0.201 68.5-106.5 -60.8 149.8 17.7 69.4 21.4 52 53 A P - 0 0 80 0, 0.0 110,-0.3 0, 0.0 2,-0.3 -0.339 31.9-126.9 -73.8 159.0 19.1 72.3 23.5 53 54 A V - 0 0 27 108,-0.1 2,-0.4 58,-0.1 108,-0.2 -0.700 12.6-134.0-105.1 159.7 22.1 74.3 22.2 54 55 A N E -E 160 0C 95 106,-2.3 106,-3.0 -2,-0.3 2,-0.8 -0.922 11.0-136.3-113.2 141.9 25.4 74.9 23.9 55 56 A H E -E 159 0C 115 -2,-0.4 2,-0.5 104,-0.2 104,-0.2 -0.878 24.5-165.6-101.0 106.9 26.9 78.4 24.1 56 57 A I E -E 158 0C 38 102,-3.3 102,-3.5 -2,-0.8 2,-1.0 -0.826 18.1-136.9 -98.7 125.2 30.7 78.0 23.4 57 58 A V E +E 157 0C 92 -2,-0.5 100,-0.3 100,-0.2 3,-0.1 -0.708 24.8 177.7 -81.0 105.7 33.1 80.8 24.1 58 59 A L E - 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