==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 31-JAN-00 1EEF . COMPND 2 MOLECULE: PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.A.MERRITT,W.G.J.HOL . 1030 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 751 72.9 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 . 319 31.0 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 . 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 . 53 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 19.7 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 9 1 0 0 0 0 0 0 0 0 0 0 2 3 1 4 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 16 23 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 51 0, 0.0 138,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 154.4 13.8 -18.8 4.6 2 2 D P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.262 360.0-156.3 -59.5 155.0 10.9 -20.8 6.2 3 3 D Q + 0 0 67 1,-0.1 2,-0.3 140,-0.0 149,-0.1 0.547 69.2 33.8-113.1 -10.0 7.5 -19.4 5.5 4 4 D T S > S- 0 0 67 1,-0.1 4,-2.5 147,-0.0 5,-0.2 -0.916 82.2-110.6-138.9 164.0 5.5 -20.8 8.4 5 5 D I H > S+ 0 0 9 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.875 119.0 51.6 -63.1 -38.6 6.2 -21.6 12.0 6 6 D T H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 109.4 49.8 -63.7 -45.3 5.9 -25.3 11.3 7 7 D E H 4 S+ 0 0 86 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.921 115.2 43.4 -58.2 -50.6 8.4 -25.1 8.5 8 8 D L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.923 110.6 54.9 -63.1 -46.0 10.8 -23.2 10.7 9 9 D a H >< S+ 0 0 4 -4,-3.2 3,-1.4 1,-0.3 -2,-0.2 0.869 101.3 60.6 -57.1 -35.2 10.3 -25.4 13.7 10 10 D S T 3< S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.598 88.4 70.9 -67.1 -20.0 11.2 -28.4 11.6 11 11 D E T < S+ 0 0 86 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.616 94.4 67.1 -71.2 -18.5 14.7 -27.2 10.8 12 12 D Y S < S- 0 0 54 -3,-1.4 3,-0.5 -4,-0.3 2,-0.2 -0.736 79.0-124.3-105.8 157.8 15.8 -27.8 14.4 13 13 D R S S+ 0 0 215 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.633 92.4 24.5 -92.6 155.7 16.3 -30.9 16.5 14 14 D N S S+ 0 0 89 -2,-0.2 75,-2.4 1,-0.2 76,-0.5 0.728 98.7 113.9 62.6 24.6 14.5 -31.4 19.8 15 15 D T E +A 88 0A 22 -3,-0.5 2,-0.3 73,-0.3 -1,-0.2 -0.831 36.9 171.4-121.5 158.7 11.7 -29.0 18.8 16 16 D Q E -A 87 0A 79 71,-1.6 71,-2.5 -2,-0.3 2,-0.4 -0.979 30.8-105.8-159.7 163.1 8.0 -29.5 18.2 17 17 D I E -A 86 0A 50 -2,-0.3 2,-0.5 69,-0.2 69,-0.2 -0.800 21.4-164.7 -98.2 137.7 4.8 -27.5 17.6 18 18 D Y E -A 85 0A 56 67,-2.6 67,-2.0 -2,-0.4 2,-0.8 -0.990 15.8-142.3-120.3 122.9 2.1 -27.1 20.1 19 19 D T E +A 84 0A 93 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.764 28.6 168.9 -86.4 110.1 -1.3 -25.8 18.8 20 20 D I E + 0 0 25 63,-2.8 63,-0.2 -2,-0.8 -1,-0.2 0.924 9.5 178.8 -87.0 -54.6 -2.4 -23.5 21.5 21 21 D N E + 0 0 97 62,-1.5 2,-0.3 61,-0.6 62,-0.2 0.908 55.2 88.4 47.5 49.6 -5.4 -21.7 20.0 22 22 D D E S-A 82 0A 54 60,-1.6 60,-3.2 58,-0.1 -1,-0.2 -0.984 80.4-100.5-164.7 161.8 -5.9 -19.8 23.2 23 23 D K - 0 0 61 -2,-0.3 20,-0.4 58,-0.3 2,-0.2 -0.515 54.8 -86.8 -84.8 159.6 -4.9 -16.7 25.1 24 24 D I - 0 0 4 56,-0.5 18,-0.2 -2,-0.2 3,-0.1 -0.483 32.1-157.2 -67.5 135.8 -2.2 -16.9 27.8 25 25 D L S S+ 0 0 46 16,-3.0 494,-2.5 1,-0.3 2,-0.3 0.930 71.9 5.9 -81.1 -48.2 -3.6 -17.8 31.2 26 26 D S E -BC 41 518A 19 15,-1.1 15,-1.7 492,-0.2 2,-0.4 -0.965 60.1-154.5-140.0 151.8 -0.9 -16.4 33.4 27 27 D Y E -BC 40 517A 1 490,-2.6 490,-2.0 -2,-0.3 2,-0.4 -0.996 10.7-176.0-127.7 129.5 2.3 -14.4 32.9 28 28 D T E -BC 39 516A 8 11,-2.8 11,-2.4 -2,-0.4 2,-0.4 -0.978 0.4-176.4-128.0 133.6 5.3 -14.5 35.3 29 29 D E E -BC 38 515A 2 486,-2.3 486,-1.9 -2,-0.4 2,-0.4 -0.995 5.4-167.7-132.0 130.6 8.4 -12.3 34.9 30 30 D S E +BC 37 514A 5 7,-2.6 7,-0.7 -2,-0.4 484,-0.2 -0.977 24.5 177.9-124.9 137.9 11.5 -12.5 37.1 31 31 D M + 0 0 1 482,-2.9 5,-0.2 -2,-0.4 483,-0.2 0.158 45.1 131.9-113.9 11.0 14.5 -10.2 37.6 32 32 D A S > S- 0 0 0 481,-0.6 3,-2.5 3,-0.5 -2,-0.1 -0.427 73.9 -86.7 -64.1 135.4 15.9 -12.4 40.3 33 33 D G T 3 S+ 0 0 15 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.183 111.8 4.5 -48.5 131.3 19.6 -13.1 39.7 34 34 D K T 3 S+ 0 0 152 -3,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.519 123.3 74.1 71.0 1.3 20.2 -16.1 37.4 35 35 D R < + 0 0 73 -3,-2.5 2,-1.5 16,-0.1 -3,-0.5 -0.164 52.2 145.0-133.7 40.3 16.5 -16.4 36.9 36 36 D E + 0 0 7 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.670 42.0 110.7 -82.0 92.1 15.8 -13.5 34.6 37 37 D M E -B 30 0A 3 -2,-1.5 -7,-2.6 -7,-0.7 2,-0.4 -0.903 61.9-118.0-152.7 179.6 13.1 -15.2 32.6 38 38 D V E -BD 29 50A 2 12,-1.0 12,-1.9 -2,-0.3 2,-0.4 -0.985 18.5-164.0-132.9 139.7 9.4 -15.3 31.8 39 39 D I E -BD 28 49A 2 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.3 -0.969 7.1-174.6-124.5 132.7 6.9 -18.1 32.4 40 40 D I E -BD 27 48A 0 8,-2.4 8,-2.4 -2,-0.4 2,-0.3 -0.961 2.4-167.2-124.9 152.3 3.5 -18.5 30.7 41 41 D T E -BD 26 47A 27 -15,-1.7 -16,-3.0 -2,-0.3 -15,-1.1 -0.902 7.5-148.0-134.0 161.1 0.7 -21.0 31.3 42 42 D F > - 0 0 4 4,-1.8 3,-3.1 -2,-0.3 -18,-0.1 -0.932 33.3-111.2-127.9 150.2 -2.5 -22.0 29.5 43 43 D K T 3 S+ 0 0 175 -20,-0.4 -19,-0.1 -2,-0.3 -1,-0.0 0.742 114.6 74.6 -49.3 -23.6 -5.8 -23.3 30.9 44 44 D S T 3 S- 0 0 86 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.700 118.1-110.7 -62.2 -22.8 -4.7 -26.5 29.1 45 45 D G S < S+ 0 0 61 -3,-3.1 -2,-0.1 1,-0.4 2,-0.1 0.219 73.6 138.6 105.8 -13.1 -2.3 -27.0 31.9 46 46 D E - 0 0 69 -5,-0.0 -4,-1.8 47,-0.0 -1,-0.4 -0.417 33.6-165.4 -68.8 140.9 0.8 -26.4 29.7 47 47 D T E +D 41 0A 25 -6,-0.2 47,-0.7 -2,-0.1 2,-0.3 -0.954 9.4 176.7-126.0 142.7 3.6 -24.3 31.1 48 48 D F E -De 40 94A 0 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.3 -0.978 9.6-156.1-143.4 158.0 6.4 -22.7 29.0 49 49 D Q E -De 39 95A 8 45,-2.4 47,-2.8 -2,-0.3 2,-0.6 -0.842 22.1-135.4-133.0 161.4 9.4 -20.5 29.5 50 50 D V E -D 38 0A 0 -12,-1.9 -12,-1.0 -2,-0.3 47,-0.1 -0.999 50.0-120.7-109.7 113.3 11.7 -18.1 27.7 51 51 D E - 0 0 17 -2,-0.6 3,-0.1 45,-0.2 -16,-0.1 -0.214 20.9 -98.3 -58.8 153.4 15.0 -19.3 29.0 52 52 D V - 0 0 34 -18,-0.1 -15,-0.1 1,-0.1 -1,-0.1 -0.413 56.8 -94.4 -63.7 137.3 17.5 -17.2 30.9 53 53 D P + 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.427 68.1 152.5 -57.8 135.4 20.0 -16.0 28.3 54 54 D G > - 0 0 23 -2,-0.1 3,-2.0 -3,-0.1 -3,-0.0 -0.788 58.7 -67.4-150.8-171.4 23.0 -18.5 28.5 55 55 D S T 3 S+ 0 0 131 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.689 118.3 67.5 -59.2 -21.1 25.9 -20.3 26.8 56 56 D Q T 3 S+ 0 0 92 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.675 90.5 79.6 -74.5 -14.3 23.5 -22.2 24.6 57 57 D H S < S- 0 0 18 -3,-2.0 2,-0.2 2,-0.0 79,-0.0 -0.674 72.7-138.7 -97.4 148.7 22.5 -19.0 22.8 58 58 D I >> - 0 0 62 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.544 34.4 -99.3 -95.6 168.5 24.5 -17.2 20.1 59 59 D D T >4 S+ 0 0 139 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.876 120.0 58.9 -56.8 -41.7 24.9 -13.4 19.9 60 60 D S T 3> S+ 0 0 57 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.639 99.1 61.5 -62.3 -17.6 22.2 -12.9 17.4 61 61 D Q H <> S+ 0 0 11 -3,-1.7 4,-2.5 1,-0.1 -1,-0.3 0.664 83.5 82.7 -82.8 -16.4 19.7 -14.5 19.7 62 62 D K H S+ 0 0 106 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.892 115.5 58.4 -68.0 -34.1 17.9 -9.2 21.1 64 64 D A H X S+ 0 0 11 -4,-0.6 4,-2.7 1,-0.2 -2,-0.2 0.863 103.0 52.7 -62.5 -40.2 15.5 -11.9 19.9 65 65 D I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.921 110.8 46.3 -61.5 -44.7 15.2 -13.2 23.5 66 66 D E H X S+ 0 0 28 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.909 112.1 51.9 -66.5 -37.0 14.3 -9.8 24.8 67 67 D R H X S+ 0 0 6 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.943 105.5 54.4 -63.7 -45.4 11.8 -9.3 21.9 68 68 D M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.887 108.9 48.4 -56.8 -42.8 10.1 -12.6 22.6 69 69 D K H X S+ 0 0 8 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.897 110.4 51.5 -64.3 -40.0 9.5 -11.6 26.3 70 70 D D H X S+ 0 0 46 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.954 111.0 49.3 -60.2 -47.1 8.2 -8.2 25.1 71 71 D T H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.921 109.5 49.6 -58.3 -48.0 5.8 -10.1 22.8 72 72 D L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.897 110.2 52.0 -60.6 -39.4 4.5 -12.4 25.5 73 73 D R H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.951 114.6 40.0 -63.4 -48.8 3.9 -9.6 27.8 74 74 D I H X S+ 0 0 43 -4,-2.3 4,-2.0 2,-0.2 6,-0.2 0.870 114.0 54.6 -69.6 -32.6 1.8 -7.6 25.3 75 75 D T H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.3 4,-0.3 0.920 111.4 46.1 -64.4 -42.3 0.1 -10.7 24.1 76 76 D Y H ><5S+ 0 0 22 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.943 111.9 49.1 -65.4 -50.2 -0.9 -11.5 27.6 77 77 D L H 3<5S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 114.4 45.5 -61.3 -33.4 -2.1 -8.0 28.4 78 78 D T T 3<5S- 0 0 65 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.359 106.4-125.6 -90.8 5.4 -4.2 -7.8 25.2 79 79 D E T < 5 + 0 0 113 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.887 46.2 176.5 52.8 39.3 -5.7 -11.2 25.7 80 80 D T < - 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