==== 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 29-SEP-08 2ZTB . COMPND 2 MOLECULE: CRYSTAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS SEROVAR DAKOTA; . AUTHOR T.AKIBA . 495 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 65.1 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 . 223 45.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 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 . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 1 0 0 0 0 0 0 2 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 . 0 2 2 4 4 2 1 3 0 0 0 1 0 0 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 0 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 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 52 A D 0 0 78 0, 0.0 2,-0.9 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 150.2 3.5 58.5 16.0 2 53 A V - 0 0 137 64,-0.1 2,-0.4 61,-0.1 63,-0.1 -0.798 360.0-177.9 -94.6 97.2 0.1 59.6 17.6 3 54 A I E +A 64 0A 3 -2,-0.9 61,-1.5 61,-0.8 2,-0.3 -0.767 12.9 169.4-102.9 139.6 -1.2 62.2 15.1 4 55 A R E +A 63 0A 129 -2,-0.4 2,-0.3 59,-0.2 59,-0.2 -0.838 15.8 145.5-151.1 108.2 -4.5 64.2 15.6 5 56 A E E -A 62 0A 30 57,-2.6 57,-2.9 -2,-0.3 -2,-0.0 -0.897 49.4 -73.6-140.4 169.2 -5.4 67.1 13.4 6 57 A Y E -A 61 0A 89 -2,-0.3 2,-0.4 55,-0.3 55,-0.3 -0.265 41.7-124.3 -60.4 144.1 -8.4 68.9 11.8 7 58 A L - 0 0 0 53,-2.4 2,-0.3 2,-0.0 53,-0.1 -0.752 30.4-150.7 -84.8 139.0 -10.1 67.3 8.8 8 59 A M > - 0 0 72 -2,-0.4 3,-1.4 1,-0.1 4,-0.2 -0.789 22.5-119.2-111.8 157.5 -10.2 69.8 5.9 9 60 A F G > S+ 0 0 13 -2,-0.3 3,-1.2 1,-0.2 4,-0.3 0.803 112.8 60.6 -61.7 -31.7 -12.6 70.2 3.0 10 61 A N G 3 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.1 3,-0.0 0.416 102.0 54.9 -79.5 3.9 -9.9 69.4 0.4 11 62 A E G X S+ 0 0 0 -3,-1.4 3,-1.7 2,-0.1 4,-0.5 0.326 73.6 99.9-112.6 -2.0 -9.4 66.0 2.1 12 63 A L G X >S+ 0 0 1 -3,-1.2 5,-2.6 1,-0.3 3,-1.7 0.851 76.6 62.8 -55.7 -35.6 -13.0 64.8 1.8 13 64 A S G > 5S+ 0 0 76 1,-0.3 3,-1.5 -4,-0.3 -1,-0.3 0.763 92.6 64.9 -57.5 -27.3 -12.0 62.8 -1.3 14 65 A A G < 5S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.696 103.7 45.8 -69.3 -23.1 -9.7 60.9 1.1 15 66 A L G < 5S- 0 0 0 -3,-1.7 205,-0.6 -4,-0.5 204,-0.5 -0.065 125.0-107.6-103.1 26.7 -13.0 59.7 2.8 16 67 A S T < 5S+ 0 0 76 -3,-1.5 -3,-0.3 1,-0.2 2,-0.2 0.730 87.7 107.8 55.9 24.1 -14.4 58.9 -0.7 17 68 A S < - 0 0 11 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.570 51.9-156.5-125.4-176.3 -16.6 62.0 -0.2 18 69 A S > - 0 0 39 -2,-0.2 4,-1.8 -3,-0.1 5,-0.2 -0.938 39.6-103.0-152.7 161.3 -17.2 65.6 -1.3 19 70 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.874 123.6 53.6 -58.2 -33.8 -18.9 68.7 -0.0 20 71 A E H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.859 107.6 48.1 -68.8 -36.3 -21.8 67.9 -2.4 21 72 A S H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.837 112.4 49.5 -76.1 -31.3 -22.2 64.4 -1.0 22 73 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.913 110.8 49.7 -67.4 -47.9 -22.1 65.7 2.6 23 74 A R H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 109.8 51.7 -57.0 -41.5 -24.7 68.4 1.7 24 75 A S H X S+ 0 0 70 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.840 107.5 52.3 -68.1 -34.7 -26.9 65.7 0.1 25 76 A R H X S+ 0 0 95 -4,-1.4 4,-2.3 192,-0.2 -1,-0.2 0.902 109.0 49.1 -65.7 -43.4 -26.7 63.5 3.3 26 77 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.4 0.907 109.5 54.3 -60.6 -43.3 -27.8 66.5 5.4 27 78 A S H X S+ 0 0 33 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.895 110.5 45.0 -56.1 -44.7 -30.7 67.0 3.0 28 79 A S H < S+ 0 0 83 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.879 114.2 49.7 -66.2 -40.7 -31.8 63.4 3.4 29 80 A I H < S+ 0 0 62 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 124.4 26.1 -67.0 -41.2 -31.5 63.5 7.2 30 81 A Y H < S- 0 0 34 -4,-2.4 173,-0.5 2,-0.3 -2,-0.2 0.615 100.9-122.3-105.9 -14.6 -33.4 66.7 7.7 31 82 A G S < S+ 0 0 61 -4,-1.8 2,-0.3 -5,-0.4 -3,-0.1 0.493 85.7 79.7 87.3 5.3 -35.7 66.7 4.6 32 83 A T S S- 0 0 30 -6,-0.4 -2,-0.3 -5,-0.2 -1,-0.2 -0.993 86.0-112.5-143.0 137.4 -34.5 70.1 3.3 33 84 A N - 0 0 81 -2,-0.3 -9,-0.1 -3,-0.1 2,-0.1 -0.557 40.2-123.5 -68.0 124.5 -31.4 70.9 1.4 34 85 A P - 0 0 1 0, 0.0 164,-0.3 0, 0.0 12,-0.2 -0.424 4.5-132.3 -69.7 155.0 -29.2 73.0 3.7 35 86 A D S S- 0 0 50 162,-2.1 11,-2.0 1,-0.2 2,-0.3 0.879 84.5 -10.2 -66.8 -40.8 -28.0 76.4 2.5 36 87 A G E -QR 45 197B 0 161,-1.5 161,-2.3 9,-0.2 2,-0.3 -0.957 60.5-138.4-154.6 171.0 -24.5 75.6 3.6 37 88 A I E -QR 44 196B 0 7,-2.1 7,-2.3 -2,-0.3 2,-0.3 -0.806 14.7-153.8-132.8 168.6 -22.3 73.2 5.5 38 89 A A E -QR 43 195B 3 157,-2.0 157,-2.5 5,-0.3 2,-0.3 -0.996 12.2-174.8-152.3 146.8 -19.3 73.6 7.9 39 90 A L E > -Q 42 0B 0 3,-2.2 3,-3.2 -2,-0.3 -30,-0.2 -0.957 65.4 -55.1-145.9 121.8 -16.2 71.8 9.1 40 91 A N T 3 S- 0 0 2 18,-0.4 14,-0.5 153,-0.4 13,-0.2 -0.199 126.0 -11.1 46.3-112.8 -14.0 73.1 11.9 41 92 A N T 3 S+ 0 0 104 12,-0.1 2,-0.3 13,-0.1 -1,-0.3 0.261 123.7 79.0-100.4 14.7 -13.0 76.6 10.6 42 93 A E E < -Q 39 0B 54 -3,-3.2 -3,-2.2 8,-0.1 2,-0.3 -0.779 55.3-162.3-119.3 160.9 -14.3 76.3 7.1 43 94 A T E -Q 38 0B 32 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.895 4.8-153.5-133.0 162.2 -17.7 76.5 5.4 44 95 A Y E -Q 37 0B 95 -7,-2.3 -7,-2.1 -2,-0.3 -2,-0.0 -0.982 56.6 -8.2-137.5 151.5 -19.1 75.4 2.0 45 96 A F E S-Q 36 0B 62 -2,-0.3 2,-1.9 -9,-0.2 -9,-0.2 -0.230 123.6 -9.7 62.3-151.2 -22.0 76.7 -0.1 46 97 A N S S+ 0 0 108 -11,-2.0 2,-0.2 -12,-0.2 -1,-0.1 -0.503 94.4 165.0 -80.8 78.0 -24.4 79.4 1.2 47 98 A A - 0 0 15 -2,-1.9 2,-0.3 -12,-0.1 -2,-0.1 -0.572 42.8-109.3-106.5 155.9 -23.1 79.3 4.8 48 99 A V - 0 0 46 -2,-0.2 4,-0.3 2,-0.1 -1,-0.1 -0.607 48.1-108.9 -72.5 135.6 -23.3 81.3 8.1 49 100 A K S S+ 0 0 138 -2,-0.3 -7,-0.0 2,-0.1 -6,-0.0 -0.951 98.2 38.6-115.4 139.8 -20.0 82.9 9.1 50 101 A P S S- 0 0 80 0, 0.0 5,-0.1 0, 0.0 -8,-0.1 0.632 113.2 -94.9 -68.8 158.2 -18.1 82.3 11.3 51 102 A P >> - 0 0 13 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.121 26.5-134.6 -44.0 128.9 -18.6 78.5 10.8 52 103 A I H 3> S+ 0 0 2 -4,-0.3 4,-2.6 1,-0.3 6,-0.2 0.682 103.5 67.3 -63.3 -17.1 -21.3 77.2 13.2 53 104 A T H 34>S+ 0 0 0 -13,-0.2 5,-3.2 -11,-0.2 4,-0.4 0.861 107.3 36.8 -72.2 -37.5 -18.9 74.4 14.0 54 105 A A H X45S+ 0 0 24 -3,-1.2 3,-0.8 -14,-0.5 -2,-0.2 0.926 116.8 53.2 -77.5 -49.5 -16.5 76.7 15.7 55 106 A Q H 3<5S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.935 121.5 31.7 -43.8 -52.4 -19.3 79.0 17.2 56 107 A Y T 3<5S- 0 0 114 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.379 113.5-113.8 -98.8 2.9 -20.9 75.9 18.8 57 108 A G T < 5 + 0 0 48 -3,-0.8 2,-0.6 -4,-0.4 -3,-0.2 0.848 62.9 143.8 74.5 39.1 -17.7 73.9 19.4 58 109 A Y < + 0 0 85 -5,-3.2 -18,-0.4 -6,-0.2 -1,-0.2 -0.940 24.2 175.1-113.4 106.9 -18.2 70.9 17.1 59 110 A Y - 0 0 68 -2,-0.6 134,-2.5 -20,-0.1 2,-0.3 -0.591 20.5-149.1-111.4 170.7 -14.9 69.8 15.6 60 111 A C E - B 0 192A 0 132,-0.3 -53,-2.4 -2,-0.2 2,-0.3 -0.976 15.4-169.3-148.2 128.1 -13.7 67.0 13.4 61 112 A Y E -AB 6 191A 59 130,-2.9 130,-2.0 -2,-0.3 2,-0.4 -0.870 18.8-146.9-124.9 145.3 -10.3 65.3 13.4 62 113 A K E -AB 5 190A 2 -57,-2.9 -57,-2.6 -2,-0.3 2,-0.3 -0.868 28.1-166.9-101.7 146.2 -8.3 62.8 11.3 63 114 A N E -AB 4 189A 19 126,-1.6 126,-1.8 -2,-0.4 2,-0.5 -0.975 21.1-144.2-137.0 145.1 -5.9 60.6 13.3 64 115 A V E -AB 3 188A 3 -61,-1.5 -61,-0.8 -2,-0.3 124,-0.2 -0.943 26.1-153.7-105.8 130.9 -3.0 58.2 12.7 65 116 A G - 0 0 24 122,-2.7 2,-0.2 -2,-0.5 -62,-0.2 -0.051 43.6 -43.6 -86.8-162.4 -3.0 55.2 15.0 66 117 A T - 0 0 104 1,-0.1 2,-0.4 -64,-0.1 -1,-0.2 -0.487 60.2-122.8 -72.1 130.5 -0.1 53.0 16.1 67 118 A V - 0 0 14 -2,-0.2 2,-0.4 119,-0.1 119,-0.2 -0.596 23.9-158.1 -72.0 124.9 2.4 52.2 13.4 68 119 A Q E -C 185 0A 121 117,-3.0 117,-1.8 -2,-0.4 2,-0.3 -0.937 6.8-151.1-108.0 134.3 2.8 48.4 12.9 69 120 A Y E -C 184 0A 74 -2,-0.4 2,-0.4 115,-0.2 115,-0.2 -0.791 9.8-168.6-105.7 144.5 6.0 47.2 11.2 70 121 A V E -C 183 0A 95 113,-3.2 113,-2.5 -2,-0.3 2,-0.1 -0.978 23.4-126.8-133.6 119.5 6.5 44.0 9.2 71 122 A N E -C 182 0A 104 -2,-0.4 111,-0.3 111,-0.3 3,-0.0 -0.391 18.5-151.0 -61.3 135.1 10.0 42.8 8.3 72 123 A R - 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