==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-SEP-10 2XRS . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN B CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.HOLMNER,A.MACKENZIE,M.OKVIST,L.JANSSON,M.LEBENS, . 1030 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 759 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 318 30.9 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 . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 59 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 8 2 0 0 0 0 0 0 0 0 0 0 4 5 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 10 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 0 0 14 25 10 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 . 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 2 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 49 0, 0.0 138,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 157.0 -8.5 12.3 -23.5 2 2 D P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.288 360.0-156.5 -61.2 150.0 -11.8 10.3 -23.0 3 3 D Q S S+ 0 0 73 1,-0.1 2,-0.3 140,-0.0 149,-0.1 0.517 73.3 29.7-106.1 -11.0 -14.1 11.7 -20.3 4 4 D T S > S- 0 0 70 1,-0.1 4,-2.2 147,-0.0 5,-0.1 -0.941 81.0-111.1-142.6 163.4 -15.9 8.4 -19.5 5 5 D I H > S+ 0 0 7 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.849 117.8 54.9 -63.5 -34.7 -15.2 4.6 -19.5 6 6 D T H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 108.3 47.4 -67.5 -45.5 -17.6 4.2 -22.5 7 7 D E H 4 S+ 0 0 92 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.910 114.8 47.4 -57.1 -45.8 -15.8 6.8 -24.6 8 8 D L H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.3 0.951 110.0 52.1 -60.1 -51.0 -12.4 5.1 -23.7 9 9 D a H >< S+ 0 0 4 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.877 102.0 61.2 -54.9 -40.0 -13.8 1.6 -24.5 10 10 D S T 3< S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.621 90.3 69.2 -63.9 -15.9 -14.9 2.8 -27.9 11 11 D E T < S+ 0 0 83 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.3 0.606 94.6 69.8 -77.1 -11.6 -11.3 3.7 -28.9 12 12 D Y S X S- 0 0 54 -3,-1.8 3,-0.5 -4,-0.3 2,-0.2 -0.787 76.2-126.8-115.8 146.8 -10.4 -0.0 -29.0 13 13 D R T 3 S+ 0 0 213 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.576 92.8 25.9 -80.2 156.3 -11.1 -3.0 -31.2 14 14 D N T 3 S+ 0 0 80 1,-0.2 75,-2.2 -2,-0.2 76,-0.6 0.792 97.2 120.2 61.1 33.8 -12.4 -6.2 -29.5 15 15 D T E < +A 88 0A 27 -3,-0.5 2,-0.3 73,-0.3 -1,-0.2 -0.864 33.6 173.2-122.5 158.8 -14.0 -4.4 -26.5 16 16 D Q E -A 87 0A 80 71,-1.6 71,-2.4 -2,-0.3 2,-0.5 -0.970 30.9-112.8-153.8 158.1 -17.4 -4.0 -24.9 17 17 D I E -A 86 0A 44 -2,-0.3 2,-0.5 69,-0.2 69,-0.2 -0.817 21.0-162.1 -90.9 130.4 -18.9 -2.5 -21.8 18 18 D Y E -A 85 0A 58 67,-2.7 67,-2.4 -2,-0.5 2,-0.9 -0.966 13.6-144.4-103.4 124.0 -20.4 -4.7 -19.1 19 19 D T E +A 84 0A 88 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.841 29.1 167.8 -88.2 108.7 -22.7 -2.8 -16.7 20 20 D I E - 0 0 22 63,-2.2 63,-0.2 -2,-0.9 64,-0.2 0.933 11.9-179.9 -87.2 -54.7 -22.1 -4.6 -13.5 21 21 D N E + 0 0 90 62,-1.5 2,-0.3 61,-0.5 62,-0.2 0.918 55.3 90.1 46.2 50.9 -23.7 -2.4 -10.8 22 22 D D E S-A 82 0A 29 60,-1.7 60,-2.6 58,-0.1 -1,-0.2 -0.987 79.3 -99.8-163.8 155.9 -22.5 -4.8 -8.1 23 23 D K - 0 0 68 -2,-0.3 20,-0.4 58,-0.3 2,-0.2 -0.407 54.1 -87.1 -75.2 160.8 -19.8 -5.8 -5.7 24 24 D I - 0 0 1 56,-0.5 18,-0.2 51,-0.2 3,-0.1 -0.524 32.3-162.0 -68.3 131.8 -17.3 -8.5 -6.6 25 25 D L S S+ 0 0 58 16,-2.3 494,-2.4 1,-0.3 2,-0.3 0.886 72.4 11.4 -80.0 -48.2 -18.5 -12.0 -5.5 26 26 D S E -BC 41 518A 19 15,-1.4 15,-1.8 492,-0.2 2,-0.4 -0.991 58.6-159.9-136.8 150.3 -15.1 -13.8 -5.6 27 27 D Y E -BC 40 517A 0 490,-2.4 490,-2.0 -2,-0.3 2,-0.4 -0.993 11.2-176.6-126.4 128.8 -11.5 -12.8 -5.9 28 28 D T E -BC 39 516A 9 11,-2.6 11,-2.5 -2,-0.4 2,-0.4 -0.995 0.5-175.3-130.8 132.1 -8.7 -15.2 -7.1 29 29 D E E -BC 38 515A 2 486,-2.5 486,-2.5 -2,-0.4 2,-0.4 -0.996 3.9-167.0-132.0 132.8 -5.0 -14.4 -7.3 30 30 D S E +BC 37 514A 4 7,-2.5 7,-0.7 -2,-0.4 484,-0.2 -0.973 22.9 178.2-125.1 134.7 -2.3 -16.7 -8.6 31 31 D M + 0 0 0 482,-3.1 5,-0.2 -2,-0.4 483,-0.2 0.165 46.1 130.5-110.8 14.6 1.5 -16.5 -8.4 32 32 D A S > S- 0 0 0 481,-0.6 3,-2.4 3,-0.5 -2,-0.1 -0.406 73.3 -86.3 -69.0 141.7 1.9 -19.8 -10.3 33 33 D G T 3 S+ 0 0 12 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.245 111.7 3.2 -55.8 126.1 4.4 -19.6 -13.2 34 34 D K T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 1,-0.0 18,-0.1 0.416 123.7 74.8 77.6 -0.8 2.8 -18.4 -16.5 35 35 D R < + 0 0 69 -3,-2.4 2,-1.5 16,-0.1 -3,-0.5 -0.137 52.0 146.1-129.0 40.5 -0.4 -17.8 -14.6 36 36 D E + 0 0 7 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.595 42.8 113.1 -78.2 92.0 0.4 -14.7 -12.7 37 37 D M E -B 30 0A 4 -2,-1.5 -7,-2.5 -7,-0.7 2,-0.4 -0.900 61.0-121.6-155.9 170.9 -3.1 -13.3 -12.8 38 38 D V E -BD 29 50A 0 12,-1.1 12,-2.1 -2,-0.3 2,-0.4 -0.968 18.6-165.8-127.8 142.2 -6.3 -12.3 -11.0 39 39 D I E -BD 28 49A 2 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.3 -0.998 5.6-173.3-128.4 133.2 -9.8 -13.6 -11.7 40 40 D I E -BD 27 48A 1 8,-2.5 8,-2.5 -2,-0.4 2,-0.3 -0.926 2.0-167.2-121.6 150.4 -13.0 -12.0 -10.4 41 41 D T E -BD 26 47A 27 -15,-1.8 -16,-2.3 -2,-0.3 -15,-1.4 -0.921 6.7-149.8-130.3 162.1 -16.6 -13.2 -10.6 42 42 D F > - 0 0 4 4,-1.9 3,-2.4 -2,-0.3 -18,-0.1 -0.891 33.1-110.9-126.3 158.2 -20.0 -11.7 -10.0 43 43 D K T 3 S+ 0 0 155 -20,-0.4 -19,-0.1 -2,-0.3 -1,-0.0 0.679 114.1 74.1 -64.4 -17.0 -23.3 -13.3 -8.7 44 44 D S T 3 S- 0 0 74 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.680 118.0-111.3 -60.3 -21.8 -24.5 -12.6 -12.3 45 45 D G S < S+ 0 0 62 -3,-2.4 2,-0.2 1,-0.4 -2,-0.1 0.287 73.9 136.9 101.3 -7.0 -22.3 -15.5 -13.3 46 46 D E - 0 0 68 47,-0.0 -4,-1.9 -5,-0.0 2,-0.4 -0.521 35.6-162.2 -77.9 142.5 -19.8 -13.4 -15.3 47 47 D T E -D 41 0A 33 -6,-0.2 47,-0.6 -2,-0.2 2,-0.3 -0.973 8.8-179.2-126.2 137.1 -16.1 -14.0 -14.9 48 48 D F E -De 40 94A 2 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.3 -0.962 7.7-155.4-134.9 153.9 -13.3 -11.6 -15.8 49 49 D Q E -De 39 95A 9 45,-2.5 47,-3.0 -2,-0.3 2,-0.6 -0.872 21.6-137.1-121.3 158.8 -9.5 -11.7 -15.7 50 50 D V E -D 38 0A 0 -12,-2.1 -12,-1.1 -2,-0.3 47,-0.1 -0.995 49.0-123.7 -99.6 117.7 -6.5 -9.4 -15.5 51 51 D E - 0 0 13 -2,-0.6 3,-0.1 45,-0.2 -16,-0.1 -0.172 19.4 -98.3 -65.2 154.4 -4.3 -11.1 -18.1 52 52 D V - 0 0 34 -18,-0.1 -1,-0.1 1,-0.1 -15,-0.1 -0.492 55.2 -95.1 -61.4 136.1 -0.7 -12.3 -17.4 53 53 D P + 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.361 67.2 145.2 -58.3 135.8 1.7 -9.7 -18.8 54 54 D G > - 0 0 23 -3,-0.1 3,-1.8 4,-0.1 -3,-0.0 -0.834 63.8 -65.3-155.2-167.0 2.8 -10.5 -22.3 55 55 D S T 3 S+ 0 0 130 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 0.634 119.0 71.0 -72.5 -12.9 3.7 -9.3 -25.8 56 56 D Q T 3 S+ 0 0 95 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.472 92.8 77.0 -75.1 -3.0 0.2 -7.9 -26.3 57 57 D H S < S- 0 0 14 -3,-1.8 2,-0.2 79,-0.0 79,-0.1 -0.898 73.9-143.1-112.5 137.3 1.2 -5.3 -23.7 58 58 D I > - 0 0 65 -2,-0.4 3,-1.6 1,-0.1 4,-0.5 -0.529 35.6 -99.4 -88.9 166.5 3.4 -2.2 -24.2 59 59 D D T > S+ 0 0 143 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.869 121.1 58.9 -55.1 -43.0 5.9 -1.0 -21.5 60 60 D S T 3> S+ 0 0 54 1,-0.3 4,-0.6 2,-0.1 -1,-0.3 0.713 100.1 59.2 -59.1 -23.1 3.5 1.8 -20.3 61 61 D Q H <> S+ 0 0 9 -3,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.662 84.0 81.5 -80.5 -14.9 0.9 -0.9 -19.4 62 62 D K H <> S+ 0 0 76 -3,-1.7 4,-1.7 -4,-0.5 -1,-0.2 0.947 98.5 37.3 -58.5 -54.1 3.2 -2.8 -17.0 63 63 D K H > S+ 0 0 139 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.858 115.9 56.1 -63.7 -35.3 2.6 -0.5 -14.0 64 64 D A H X S+ 0 0 10 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.872 103.9 52.4 -67.2 -37.2 -1.1 -0.2 -15.1 65 65 D I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.941 111.7 47.0 -59.9 -47.2 -1.6 -4.0 -15.0 66 66 D E H X S+ 0 0 35 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.900 111.3 51.2 -62.5 -42.0 -0.2 -4.1 -11.4 67 67 D R H X S+ 0 0 15 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.908 106.6 55.0 -60.2 -43.4 -2.4 -1.1 -10.4 68 68 D M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 108.7 46.7 -57.7 -46.5 -5.5 -2.9 -11.8 69 69 D K H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.913 112.0 51.7 -62.2 -40.4 -4.9 -6.0 -9.7 70 70 D D H X S+ 0 0 46 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.941 111.1 48.8 -55.8 -48.6 -4.3 -3.7 -6.6 71 71 D T H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.900 109.3 50.8 -62.2 -43.1 -7.7 -2.0 -7.4 72 72 D L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.887 109.6 50.9 -64.4 -40.6 -9.6 -5.2 -7.7 73 73 D R H X S+ 0 0 32 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.938 114.6 41.4 -62.6 -49.8 -8.3 -6.6 -4.4 74 74 D I H X S+ 0 0 47 -4,-2.1 4,-2.0 2,-0.2 6,-0.2 0.862 113.7 53.7 -68.6 -33.4 -9.2 -3.5 -2.4 75 75 D T H <>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.2 4,-0.5 0.922 111.3 47.1 -64.4 -42.5 -12.6 -3.2 -4.2 76 76 D Y H ><5S+ 0 0 9 -4,-2.4 3,-1.1 -5,-0.2 -2,-0.2 0.957 113.2 47.7 -58.8 -50.2 -13.3 -6.8 -3.3 77 77 D L H 3<5S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.783 114.7 44.4 -67.9 -30.8 -12.3 -6.3 0.4 78 78 D T T 3<5S- 0 0 63 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.447 105.8-125.3 -92.6 -0.8 -14.3 -3.1 0.9 79 79 D E T < 5 + 0 0 106 -3,-1.1 2,-0.2 -4,-0.5 -3,-0.2 0.846 46.1 177.5 57.1 35.8 -17.4 -4.6 -0.9 80 80 D T < - 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