==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-AUG-01 1JQY . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN B CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.A.MERRITT,W.G.J.HOL . 1545 15 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1125 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 489 31.7 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 . 15 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 2 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 . 90 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 0 6 9 0 0 0 0 0 0 0 0 0 1 6 4 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 13 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 0 1 26 27 11 10 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 . 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 3 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 D A 0 0 46 0, 0.0 138,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 166.5 43.1 -16.5 -1.8 2 2 D P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.204 360.0-152.5 -63.9 161.2 45.2 -16.1 1.4 3 3 D Q S S+ 0 0 72 1,-0.2 2,-0.3 140,-0.1 149,-0.1 0.476 73.3 31.2-115.1 -8.0 44.0 -17.9 4.5 4 4 D T S > S- 0 0 70 1,-0.1 4,-2.6 147,-0.0 -1,-0.2 -0.966 79.2-115.0-146.7 158.5 45.4 -15.7 7.2 5 5 D I H > S+ 0 0 7 -2,-0.3 4,-3.5 2,-0.2 5,-0.2 0.828 115.2 58.0 -66.7 -35.5 46.2 -12.1 7.6 6 6 D T H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.982 110.6 42.6 -58.4 -51.0 50.0 -12.8 7.8 7 7 D E H > S+ 0 0 87 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.955 116.4 49.9 -56.0 -44.0 49.9 -14.6 4.4 8 8 D L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.949 110.5 48.3 -63.0 -52.9 47.7 -11.8 3.0 9 9 D a H >< S+ 0 0 2 -4,-3.5 3,-1.4 1,-0.3 -1,-0.2 0.808 101.7 63.4 -58.3 -34.1 49.9 -9.0 4.3 10 10 D S H 3< S+ 0 0 95 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.618 87.7 73.0 -66.8 -14.1 53.1 -10.6 2.9 11 11 D E T << S+ 0 0 85 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.3 0.468 93.8 65.9 -78.1 -7.9 51.7 -10.2 -0.6 12 12 D Y S X S- 0 0 54 -3,-1.4 3,-0.5 -4,-0.1 2,-0.2 -0.887 79.2-125.4-115.7 154.3 52.3 -6.4 -0.4 13 13 D R T 3 S+ 0 0 213 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.630 91.7 30.2 -93.3 155.4 55.4 -4.3 -0.2 14 14 D N T 3 S+ 0 0 79 -2,-0.2 75,-2.2 1,-0.2 76,-0.4 0.762 96.7 120.9 60.9 41.6 55.9 -1.7 2.6 15 15 D T E < +A 88 0A 26 -3,-0.5 2,-0.3 73,-0.2 -1,-0.2 -0.905 34.0 173.2-131.9 153.2 53.8 -3.8 5.0 16 16 D Q E -A 87 0A 79 71,-1.6 71,-2.3 -2,-0.3 2,-0.5 -0.977 31.7-112.5-152.3 151.7 54.3 -5.5 8.4 17 17 D I E -A 86 0A 48 -2,-0.3 2,-0.5 69,-0.2 69,-0.2 -0.859 21.9-159.9 -88.1 139.7 52.2 -7.3 11.0 18 18 D Y E -A 85 0A 59 67,-3.0 67,-2.4 -2,-0.5 2,-0.9 -0.958 9.7-148.3-112.2 122.2 51.6 -5.7 14.3 19 19 D T E +A 84 0A 92 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.830 29.0 162.5 -94.9 108.8 50.5 -8.1 17.0 20 20 D I E - 0 0 27 63,-2.7 63,-0.2 -2,-0.9 64,-0.2 0.906 15.4-178.2 -91.6 -56.6 48.2 -6.1 19.3 21 21 D N E + 0 0 92 62,-1.6 2,-0.3 61,-0.3 62,-0.2 0.893 55.4 93.8 48.3 57.3 46.2 -8.6 21.4 22 22 D D E S-A 82 0A 43 60,-1.5 60,-3.0 58,-0.1 -1,-0.2 -0.971 78.2-101.0-169.8 157.1 44.3 -5.6 23.0 23 23 D K - 0 0 76 58,-0.3 20,-0.4 -2,-0.3 2,-0.3 -0.429 54.7 -86.8 -76.4 157.2 41.2 -3.5 22.8 24 24 D I - 0 0 1 56,-0.5 18,-0.2 51,-0.2 3,-0.1 -0.488 32.0-159.8 -70.7 126.6 41.4 -0.0 21.2 25 25 D L S S+ 0 0 57 16,-1.8 494,-2.2 1,-0.3 2,-0.4 0.937 74.4 8.0 -74.4 -56.7 42.4 2.6 23.8 26 26 D S E -BC 41 518A 17 15,-1.6 15,-1.5 492,-0.2 2,-0.4 -0.980 58.3-157.8-133.5 156.5 41.1 5.5 21.8 27 27 D Y E -BC 40 517A 0 490,-2.7 490,-3.1 -2,-0.4 2,-0.4 -0.973 11.9-175.4-124.1 132.2 39.1 6.2 18.6 28 28 D T E -BC 39 516A 7 11,-2.1 11,-2.7 -2,-0.4 2,-0.4 -0.998 1.3-173.7-129.1 134.7 39.3 9.5 16.7 29 29 D E E -BC 38 515A 2 486,-2.4 486,-2.2 -2,-0.4 2,-0.4 -0.998 3.4-165.9-131.8 135.7 37.1 10.3 13.6 30 30 D S E +BC 37 514A 4 7,-2.7 7,-0.9 -2,-0.4 484,-0.2 -0.971 23.8 177.2-127.1 134.1 37.4 13.3 11.4 31 31 D M E +B 36 0A 1 482,-2.9 5,-0.2 -2,-0.4 483,-0.2 0.082 45.4 132.0-109.6 20.5 35.1 14.8 8.7 32 32 D A E > S-B 35 0A 0 3,-0.6 3,-2.7 481,-0.5 -2,-0.1 -0.504 73.2 -88.9 -78.7 135.6 37.5 17.8 8.1 33 33 D G T 3 S+ 0 0 16 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.184 112.0 3.9 -50.6 127.0 38.1 18.5 4.4 34 34 D K T 3 S+ 0 0 124 1,-0.1 -1,-0.3 -3,-0.1 18,-0.1 0.395 122.6 75.0 75.6 1.1 41.1 16.5 3.2 35 35 D R E < +B 32 0A 74 -3,-2.7 2,-1.4 2,-0.1 -3,-0.6 -0.286 53.9 147.8-131.8 44.9 41.4 14.8 6.6 36 36 D E E +B 31 0A 5 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.731 40.6 114.2 -79.9 88.5 38.5 12.4 6.3 37 37 D M E -B 30 0A 4 -2,-1.4 -7,-2.7 -7,-0.9 2,-0.4 -0.950 61.1-124.7-151.9 170.8 40.0 9.7 8.3 38 38 D V E -BD 29 50A 1 12,-1.1 12,-2.3 -2,-0.3 2,-0.4 -0.970 19.7-165.9-124.4 144.4 40.0 7.6 11.5 39 39 D I E -BD 28 49A 2 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.3 -0.990 4.9-171.9-129.4 135.4 42.9 7.2 13.9 40 40 D I E -BD 27 48A 0 8,-2.7 8,-2.9 -2,-0.4 2,-0.3 -0.877 0.5-169.0-127.5 152.4 43.2 4.6 16.6 41 41 D T E -BD 26 47A 24 -15,-1.5 -16,-1.8 -2,-0.3 -15,-1.6 -0.954 7.8-146.0-138.8 158.0 45.7 4.1 19.4 42 42 D F > - 0 0 3 4,-1.9 3,-3.1 -2,-0.3 -18,-0.1 -0.881 34.0-106.0-119.8 159.0 46.5 1.4 21.9 43 43 D K T 3 S+ 0 0 147 -20,-0.4 -19,-0.1 1,-0.3 -1,-0.0 0.737 117.4 69.6 -58.5 -24.4 47.8 1.4 25.5 44 44 D S T 3 S- 0 0 70 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.516 119.0-110.6 -63.8 -12.9 51.2 0.4 24.1 45 45 D G S < S+ 0 0 60 -3,-3.1 2,-0.2 1,-0.3 -2,-0.2 0.276 72.7 142.2 90.4 -10.9 51.4 4.0 22.6 46 46 D E - 0 0 71 -4,-0.1 -4,-1.9 -5,-0.0 2,-0.3 -0.470 33.5-162.2 -65.6 138.6 51.0 2.7 19.0 47 47 D T E -D 41 0A 26 -6,-0.2 47,-0.6 -2,-0.2 2,-0.3 -0.932 9.2-179.2-123.3 138.2 48.9 4.9 16.7 48 48 D F E -De 40 94A 0 -8,-2.9 -8,-2.7 -2,-0.3 2,-0.3 -0.950 8.9-151.4-140.8 150.8 47.3 3.7 13.4 49 49 D Q E -De 39 95A 6 45,-2.5 47,-3.1 -2,-0.3 2,-0.6 -0.880 20.8-143.5-121.2 158.8 45.3 5.3 10.7 50 50 D V E -D 38 0A 0 -12,-2.3 -12,-1.1 -2,-0.3 47,-0.1 -0.993 49.4-127.2-105.3 110.9 42.7 4.5 8.1 51 51 D E - 0 0 15 -2,-0.6 3,-0.1 45,-0.2 -16,-0.1 -0.346 17.8 -96.6 -69.0 155.4 44.0 6.9 5.4 52 52 D V - 0 0 19 -18,-0.1 2,-0.1 1,-0.1 -15,-0.1 -0.370 54.6 -95.2 -54.4 134.6 41.9 9.5 3.5 53 53 D P + 0 0 50 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.458 66.2 154.3 -59.9 126.8 40.8 8.0 0.1 54 54 D G > - 0 0 33 -2,-0.1 3,-1.7 -3,-0.1 -3,-0.0 -0.734 60.2 -73.9-144.0-169.0 43.3 9.1 -2.5 55 55 D S T 3 S+ 0 0 129 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 0.758 119.7 69.4 -72.7 -11.4 45.0 8.3 -5.9 56 56 D Q T 3 S+ 0 0 95 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.718 90.3 77.3 -70.2 -25.1 46.9 5.5 -4.2 57 57 D H S < S- 0 0 25 -3,-1.7 2,-0.2 79,-0.0 79,-0.0 -0.623 74.9-141.6 -86.8 147.9 43.6 3.6 -3.8 58 58 D I > - 0 0 63 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.560 35.2 -89.7 -99.2 170.4 42.0 1.7 -6.7 59 59 D D T > S+ 0 0 141 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.919 122.4 51.4 -36.2 -59.8 38.3 1.5 -7.4 60 60 D S T 3> S+ 0 0 42 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.657 99.7 67.1 -67.5 -10.4 37.4 -1.6 -5.3 61 61 D Q H <> S+ 0 0 10 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.614 80.2 82.3 -84.7 -17.4 39.2 -0.1 -2.2 62 62 D K H <> S+ 0 0 73 -3,-2.2 4,-1.4 -4,-0.4 -1,-0.2 0.931 98.6 33.0 -58.0 -53.4 36.6 2.6 -1.9 63 63 D K H > S+ 0 0 124 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.829 115.7 59.5 -71.6 -33.0 33.9 0.6 -0.1 64 64 D A H X S+ 0 0 9 -4,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.867 103.2 51.1 -58.8 -44.7 36.5 -1.4 1.8 65 65 D I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.918 112.1 47.7 -58.8 -48.0 38.0 1.7 3.3 66 66 D E H X S+ 0 0 27 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.899 112.8 49.1 -59.7 -39.1 34.5 2.7 4.5 67 67 D R H X S+ 0 0 17 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.927 108.4 52.8 -66.0 -40.8 34.0 -0.8 5.8 68 68 D M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.925 109.5 48.6 -66.0 -39.5 37.3 -0.7 7.7 69 69 D K H X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 111.7 50.2 -65.8 -35.2 36.3 2.6 9.4 70 70 D D H X S+ 0 0 43 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.885 109.7 51.6 -60.5 -43.6 33.0 1.0 10.3 71 71 D T H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.932 108.6 48.8 -61.6 -50.4 34.8 -2.0 11.7 72 72 D L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.914 110.1 53.7 -56.8 -37.2 37.2 0.0 14.0 73 73 D R H X S+ 0 0 29 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.931 113.4 40.4 -65.8 -48.4 34.2 2.0 15.3 74 74 D I H X S+ 0 0 49 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.890 114.3 53.4 -72.0 -30.9 32.2 -1.1 16.4 75 75 D T H <>S+ 0 0 0 -4,-2.8 5,-2.2 -5,-0.2 4,-0.5 0.927 111.7 46.0 -65.3 -42.1 35.3 -2.8 17.7 76 76 D Y H ><5S+ 0 0 15 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.967 113.3 50.3 -60.6 -51.7 36.1 0.2 19.8 77 77 D L H 3<5S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.879 114.9 40.5 -63.5 -34.8 32.5 0.4 21.0 78 78 D T T 3<5S- 0 0 63 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.449 106.8-123.4 -92.7 -0.3 32.2 -3.3 22.0 79 79 D E T < 5 + 0 0 121 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.931 48.3 174.6 60.6 39.9 35.8 -3.3 23.6 80 80 D T < - 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