==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 16-NOV-05 2F2F . COMPND 2 MOLECULE: CYTOLETHAL DISTENDING TOXIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: AGGREGATIBACTER ACTINOMYCETEMCOMITANS; . AUTHOR T.YAMADA,J.KOMOTO,K.SAIKI,K.KONISHI,F.TAKUSAGAWA . 1136 6 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 700 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 317 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 . 2 0.2 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 . 91 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 4 1 0 0 2 0 0 0 4 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 2 0 2 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 . 30 11 9 8 20 4 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 . 2 0 0 0 2 0 2 0 0 0 2 0 0 0 0 2 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 71 A P 0 0 115 0, 0.0 4,-0.2 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0-177.3 -7.4 69.6 55.7 2 72 A S + 0 0 99 2,-0.1 186,-0.1 3,-0.1 185,-0.1 0.476 360.0 58.9-111.3 -5.7 -6.4 67.2 52.8 3 73 A E S > S+ 0 0 91 2,-0.1 3,-2.4 1,-0.1 4,-0.2 0.849 91.1 67.0 -92.5 -37.7 -8.9 68.0 50.2 4 74 A P G > S+ 0 0 19 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.870 90.1 65.5 -49.4 -43.8 -8.2 71.8 49.8 5 75 A S G 3 S+ 0 0 12 1,-0.3 -2,-0.1 -4,-0.2 181,-0.1 0.657 91.8 66.9 -55.7 -15.7 -4.8 71.0 48.3 6 76 A N G < S+ 0 0 8 -3,-2.4 42,-0.3 181,-0.1 2,-0.3 0.579 94.7 69.4 -84.6 -6.7 -6.7 69.5 45.4 7 77 A F < + 0 0 16 -3,-3.0 2,-0.2 -4,-0.2 40,-0.2 -0.830 52.4 160.7-117.8 155.3 -8.1 72.8 44.3 8 78 A M B -A 46 0A 0 38,-2.3 38,-2.5 -2,-0.3 2,-0.4 -0.845 30.6-115.6-151.0 179.4 -6.7 75.9 42.6 9 79 A T E -B 143 0A 2 134,-2.2 134,-2.4 -2,-0.2 2,-0.8 -0.961 15.6-134.3-126.9 148.1 -7.7 79.0 40.7 10 80 A L E -B 142 0A 0 8,-0.4 8,-2.3 -2,-0.4 2,-0.4 -0.896 33.8-165.5-101.7 102.5 -6.8 79.9 37.1 11 81 A M E -BC 141 17A 5 130,-2.1 130,-2.6 -2,-0.8 6,-0.2 -0.779 8.7-143.9 -97.7 127.6 -5.9 83.6 37.6 12 82 A G E > -B 140 0A 0 4,-2.5 3,-2.6 -2,-0.4 128,-0.2 -0.274 38.5 -94.3 -80.2 171.8 -5.6 86.0 34.7 13 83 A Q T 3 S+ 0 0 8 126,-0.7 -1,-0.1 1,-0.3 127,-0.1 0.676 128.2 56.8 -61.9 -12.9 -3.0 88.8 34.6 14 84 A N T 3 S- 0 0 48 2,-0.2 -1,-0.3 427,-0.0 3,-0.1 0.350 122.1-105.5 -98.0 4.1 -5.7 91.1 36.0 15 85 A G S < S+ 0 0 1 -3,-2.6 19,-0.6 1,-0.3 2,-0.5 0.442 74.0 145.7 85.6 -1.1 -6.4 88.9 39.0 16 86 A A E - D 0 33A 0 17,-0.2 -4,-2.5 15,-0.1 2,-0.4 -0.652 40.8-143.5 -78.2 121.7 -9.6 87.6 37.4 17 87 A L E -CD 11 32A 4 15,-1.4 15,-1.7 -2,-0.5 -6,-0.2 -0.683 18.3-116.5 -87.7 127.6 -10.4 84.0 38.2 18 88 A L E + D 0 31A 2 -8,-2.3 -8,-0.4 -2,-0.4 2,-0.3 -0.420 55.4 164.4 -61.0 128.1 -11.9 81.7 35.6 19 89 A T E - D 0 30A 0 11,-2.9 11,-2.0 -2,-0.1 2,-0.4 -0.948 46.4-106.3-148.8 165.3 -15.3 80.8 37.2 20 90 A V E + D 0 29A 0 23,-1.1 3,-0.2 -2,-0.3 9,-0.2 -0.772 33.9 175.2 -87.0 133.4 -18.7 79.4 36.7 21 91 A W + 0 0 138 7,-0.7 2,-0.7 -2,-0.4 -1,-0.2 0.768 69.6 42.8-101.4 -65.9 -21.3 82.3 36.8 22 92 A A S S- 0 0 24 6,-0.5 -1,-0.4 1,-0.1 5,-0.3 -0.719 77.0-149.7 -81.2 116.6 -24.6 80.7 36.0 23 93 A L + 0 0 99 -2,-0.7 -1,-0.1 -3,-0.2 3,-0.1 0.746 67.6 100.0 -59.0 -29.8 -24.7 77.4 37.9 24 94 A A S > S- 0 0 62 1,-0.1 3,-0.8 2,-0.1 53,-0.2 -0.381 86.3 -98.1 -63.9 139.9 -26.9 75.7 35.4 25 95 A K T 3 S+ 0 0 110 1,-0.2 53,-0.2 -2,-0.1 -1,-0.1 -0.133 101.7 27.6 -59.6 151.5 -24.9 73.4 33.1 26 96 A R T 3 S+ 0 0 116 51,-3.7 2,-0.3 1,-0.3 -1,-0.2 0.621 86.5 131.4 69.4 21.0 -23.8 74.5 29.6 27 97 A N < - 0 0 65 -3,-0.8 50,-0.8 50,-0.5 -1,-0.3 -0.776 64.9 -91.7-100.7 148.4 -23.7 78.2 30.5 28 98 A W B -E 76 0A 112 -2,-0.3 -7,-0.7 48,-0.2 -6,-0.5 -0.099 33.9-126.7 -57.9 151.3 -20.6 80.3 29.6 29 99 A L E -D 20 0A 2 46,-2.5 94,-0.6 -9,-0.2 46,-0.3 -0.739 28.8-175.0 -98.3 151.1 -17.7 80.7 32.0 30 100 A W E -DF 19 122A 71 -11,-2.0 -11,-2.9 -2,-0.3 2,-0.4 -0.627 24.0-111.9-132.4-174.0 -16.4 84.2 32.9 31 101 A A E +DF 18 121A 0 90,-1.6 90,-3.0 -13,-0.2 -13,-0.2 -0.968 33.6 169.0-135.2 118.2 -13.6 85.7 34.9 32 102 A Y E -D 17 0A 35 -15,-1.7 -15,-1.4 -2,-0.4 88,-0.2 -0.992 32.6-123.2-128.5 130.4 -14.1 87.6 38.2 33 103 A P E > -D 16 0A 16 0, 0.0 3,-1.2 0, 0.0 -17,-0.2 -0.355 30.1-115.0 -67.9 154.5 -11.5 88.7 40.7 34 104 A N G >> S+ 0 0 7 -19,-0.6 3,-1.9 1,-0.2 4,-0.5 0.880 113.4 64.6 -53.7 -42.3 -12.0 87.4 44.2 35 105 A I G 34 S+ 0 0 26 403,-0.3 -1,-0.2 1,-0.3 3,-0.2 0.776 111.4 36.4 -54.1 -29.8 -12.6 90.9 45.6 36 106 A Y G <4 S+ 0 0 86 -3,-1.2 -1,-0.3 83,-0.1 -2,-0.2 0.133 120.2 45.7-109.8 14.6 -15.7 91.2 43.4 37 107 A S T X> + 0 0 0 -3,-1.9 3,-3.2 -4,-0.2 4,-0.5 0.122 62.9 131.3-139.2 19.7 -17.0 87.6 43.6 38 108 A Q G >< S+ 0 0 118 -4,-0.5 3,-0.5 1,-0.3 -3,-0.1 0.758 75.9 53.9 -49.6 -29.2 -16.8 86.8 47.3 39 109 A D G 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.559 89.2 81.2 -82.6 -7.4 -20.3 85.5 47.4 40 110 A F G X4 S- 0 0 33 -3,-3.2 3,-0.9 -6,-0.2 -1,-0.2 0.809 76.0-174.9 -66.5 -32.9 -19.5 83.1 44.4 41 111 A G G X< - 0 0 27 -4,-0.5 3,-1.5 -3,-0.5 -1,-0.1 -0.191 53.6 -15.7 67.8-159.6 -17.9 80.6 46.8 42 112 A N G > S+ 0 0 64 1,-0.3 3,-1.4 2,-0.2 21,-0.9 0.379 109.1 90.7 -64.3 2.9 -16.2 77.4 45.5 43 113 A I G < S+ 0 0 14 -3,-0.9 -23,-1.1 1,-0.3 -1,-0.3 0.581 86.0 60.0 -73.2 -3.9 -17.6 77.5 42.0 44 114 A R G < S+ 0 0 11 -3,-1.5 2,-0.3 -25,-0.2 -34,-0.3 0.546 91.5 82.5 -96.8 -10.1 -14.5 79.6 41.4 45 115 A N < - 0 0 0 -3,-1.4 17,-2.7 -36,-0.1 18,-0.4 -0.762 60.7-168.3 -99.9 144.3 -12.1 76.7 42.5 46 116 A W E -AG 8 61A 0 -38,-2.5 -38,-2.3 -2,-0.3 2,-0.5 -0.918 19.0-140.5-132.6 153.4 -11.1 73.9 40.1 47 117 A K E - G 0 60A 27 13,-2.4 13,-2.7 -2,-0.3 2,-0.6 -0.976 19.5-145.4-113.4 122.6 -9.4 70.5 40.3 48 118 A I E + G 0 59A 4 -2,-0.5 11,-0.2 -42,-0.3 9,-0.0 -0.803 26.7 171.9 -91.8 121.2 -7.0 69.7 37.4 49 119 A E E - G 0 58A 28 9,-2.0 9,-1.7 -2,-0.6 2,-0.2 -0.789 40.4 -87.8-122.5 165.4 -7.0 66.0 36.5 50 120 A P E - G 0 57A 55 0, 0.0 7,-0.3 0, 0.0 4,-0.1 -0.544 45.7-129.1 -75.0 140.9 -5.4 64.1 33.7 51 121 A G - 0 0 3 5,-3.5 364,-0.2 2,-0.4 7,-0.1 0.155 34.8 -88.1 -71.0-164.3 -7.6 63.9 30.6 52 122 A K S S+ 0 0 101 30,-0.3 2,-0.3 32,-0.1 -1,-0.1 0.857 116.5 61.1 -72.6 -36.4 -8.5 60.7 28.8 53 123 A H S > S- 0 0 84 29,-0.1 3,-1.4 362,-0.1 -2,-0.4 -0.677 98.5-105.7 -96.0 147.1 -5.3 61.3 26.8 54 124 A R T 3 S+ 0 0 123 -2,-0.3 -3,-0.1 1,-0.2 336,-0.1 0.769 108.8 25.9 -36.8 -65.3 -1.7 61.4 28.2 55 125 A E T 3 S+ 0 0 39 -5,-0.1 36,-0.4 337,-0.1 -1,-0.2 0.340 104.5 98.0 -92.4 11.4 -0.6 65.0 28.3 56 126 A Y < - 0 0 63 -3,-1.4 -5,-3.5 34,-0.1 2,-0.3 -0.590 52.6-161.9 -97.3 159.0 -4.1 66.5 28.4 57 127 A F E -GH 50 89A 9 32,-2.4 32,-3.6 -7,-0.3 2,-0.3 -0.873 7.3-155.0-134.7 165.6 -6.0 67.8 31.4 58 128 A R E -G 49 0A 32 -9,-1.7 -9,-2.0 -2,-0.3 2,-0.5 -0.927 19.2-127.8-136.2 158.0 -9.6 68.6 32.3 59 129 A F E -G 48 0A 2 9,-0.3 9,-1.7 -2,-0.3 2,-0.5 -0.957 17.4-162.8-118.6 123.4 -10.9 71.0 35.0 60 130 A V E -GI 47 67A 20 -13,-2.7 -13,-2.4 -2,-0.5 7,-0.2 -0.899 23.1-121.1-108.2 124.0 -13.4 69.8 37.5 61 131 A N E > -G 46 0A 3 5,-3.6 4,-1.5 -2,-0.5 -15,-0.2 -0.363 11.8-143.9 -65.0 132.0 -15.4 72.4 39.5 62 132 A Q T 4 S+ 0 0 48 -17,-2.7 -19,-0.2 -20,-0.4 -1,-0.1 0.920 96.9 31.1 -62.6 -45.1 -14.9 72.1 43.2 63 133 A S T 4 S+ 0 0 66 -21,-0.9 -1,-0.2 -18,-0.4 -20,-0.1 0.917 131.0 29.1 -83.0 -43.0 -18.5 73.1 44.1 64 134 A L T 4 S- 0 0 60 -22,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.658 87.4-133.9 -94.1 -19.7 -20.5 71.7 41.1 65 135 A G < + 0 0 43 -4,-1.5 15,-0.4 1,-0.3 2,-0.1 0.611 61.7 133.0 75.8 9.8 -18.5 68.8 40.0 66 136 A T - 0 0 4 13,-0.1 -5,-3.6 -6,-0.1 2,-0.3 -0.495 50.8-126.3 -90.9 165.3 -18.9 69.9 36.4 67 137 A a E -IJ 60 78A 0 11,-2.8 11,-2.2 -7,-0.2 -7,-0.2 -0.854 18.9-110.3-113.7 150.3 -16.0 70.2 33.8 68 138 A I E - J 0 77A 3 -9,-1.7 2,-0.4 -2,-0.3 -9,-0.3 -0.493 40.4-171.2 -73.2 142.6 -14.8 73.1 31.7 69 139 A E E - J 0 76A 20 7,-2.6 7,-2.2 -2,-0.1 2,-0.5 -0.997 26.9-120.4-141.3 134.4 -15.6 72.4 28.0 70 140 A A E + J 0 75A 6 16,-3.1 2,-0.4 -2,-0.4 5,-0.2 -0.620 43.1 167.2 -72.5 125.7 -14.6 74.2 24.8 71 141 A Y E > - J 0 74A 106 3,-2.3 3,-1.8 -2,-0.5 2,-0.3 -0.936 52.6 -45.1-146.9 118.1 -17.8 75.3 23.1 72 142 A G T 3 S- 0 0 40 -2,-0.4 52,-0.0 1,-0.2 -2,-0.0 -0.461 118.3 -24.4 65.4-128.6 -18.1 77.7 20.3 73 143 A N T 3 S+ 0 0 101 -2,-0.3 52,-1.8 51,-0.1 -1,-0.2 0.159 133.4 32.6-103.0 16.2 -15.9 80.8 20.9 74 144 A G E < S- J 0 71A 2 -3,-1.8 -3,-2.3 50,-0.3 2,-0.4 -0.705 86.1 -87.6-147.5-160.6 -15.9 80.4 24.6 75 145 A L E + J 0 70A 2 48,-0.4 -46,-2.5 -46,-0.3 2,-0.2 -0.954 32.7 177.0-123.3 145.2 -16.0 78.0 27.5 76 146 A I E -EJ 28 69A 1 -7,-2.2 -7,-2.6 -2,-0.4 2,-0.4 -0.721 27.0-121.1-130.9 178.0 -19.0 76.4 29.2 77 147 A H E + J 0 68A 0 -50,-0.8 -51,-3.7 -2,-0.2 -50,-0.5 -0.997 38.4 159.7-127.5 134.1 -19.2 73.9 32.0 78 148 A D E - 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