==== 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 08-FEB-00 1EFI . COMPND 2 MOLECULE: PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.A.MERRITT,W.G.J.HOL . 515 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 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 . 5 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 . 25 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 2 0 0 0 0 0 0 0 0 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 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 6 14 5 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 . 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 1 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 48 0, 0.0 138,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 152.3 -16.8 10.1 -2.0 2 2 D P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.133 360.0-152.1 -59.2 151.0 -14.5 13.1 -2.1 3 3 D Q S S+ 0 0 82 1,-0.1 2,-0.3 140,-0.0 149,-0.1 0.605 73.8 25.4-100.6 -13.0 -11.2 12.8 -3.9 4 4 D T S > S- 0 0 69 1,-0.1 4,-2.2 147,-0.0 5,-0.1 -0.914 80.1-109.1-145.3 167.9 -9.2 15.3 -2.0 5 5 D I H > S+ 0 0 8 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.799 118.4 56.8 -70.3 -27.9 -9.2 17.0 1.4 6 6 D T H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.961 107.6 45.7 -67.9 -49.2 -10.3 20.2 -0.3 7 7 D E H 4 S+ 0 0 80 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.925 115.5 48.4 -60.3 -42.1 -13.4 18.6 -1.8 8 8 D L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.930 108.7 52.7 -64.3 -45.5 -14.1 16.9 1.6 9 9 D a H >< S+ 0 0 5 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.903 102.1 60.2 -58.9 -38.0 -13.7 20.2 3.6 10 10 D S T 3< S+ 0 0 96 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.575 91.2 69.5 -67.0 -13.7 -16.1 22.0 1.3 11 11 D E T < S+ 0 0 80 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.521 94.7 65.6 -82.6 -7.0 -19.0 19.6 2.3 12 12 D Y S < S- 0 0 55 -3,-1.7 3,-0.4 -4,-0.2 2,-0.2 -0.794 78.2-121.8-116.1 159.2 -19.2 20.9 5.9 13 13 D R S S+ 0 0 222 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.588 90.3 23.7 -92.0 162.5 -20.2 24.1 7.5 14 14 D N S S+ 0 0 93 -2,-0.2 75,-2.5 1,-0.2 76,-0.5 0.835 97.2 118.1 53.0 37.2 -17.9 26.1 9.7 15 15 D T E +A 88 0A 25 -3,-0.4 2,-0.3 73,-0.3 73,-0.2 -0.841 36.1 178.0-126.4 164.8 -14.7 24.7 8.2 16 16 D Q E -A 87 0A 80 71,-1.7 71,-2.8 -2,-0.3 2,-0.3 -0.962 29.9-111.5-160.1 154.7 -11.6 25.9 6.4 17 17 D I E -A 86 0A 49 -2,-0.3 2,-0.5 69,-0.2 69,-0.2 -0.738 22.3-159.6 -89.2 140.9 -8.4 24.5 5.0 18 18 D Y E -A 85 0A 45 67,-2.3 67,-2.0 -2,-0.3 2,-0.6 -0.995 11.6-144.8-120.5 116.0 -5.1 25.5 6.6 19 19 D T E +A 84 0A 112 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.784 29.8 165.1 -84.2 121.3 -2.1 24.9 4.3 20 20 D I E + 0 0 27 63,-3.2 63,-0.2 -2,-0.6 64,-0.2 0.831 14.8 179.8-100.6 -58.8 0.7 23.8 6.7 21 21 D N E + 0 0 104 62,-1.4 2,-0.3 61,-0.7 62,-0.2 0.897 56.1 93.5 48.4 51.6 3.6 22.3 4.7 22 22 D D E S-A 82 0A 26 60,-1.6 60,-3.4 58,-0.1 -1,-0.2 -0.985 78.4-102.6-163.4 159.5 5.5 21.8 7.9 23 23 D K - 0 0 78 -2,-0.3 20,-0.4 58,-0.3 2,-0.3 -0.455 55.2 -86.8 -81.6 162.4 6.3 19.2 10.7 24 24 D I - 0 0 2 56,-0.4 18,-0.2 51,-0.2 3,-0.1 -0.582 32.0-159.0 -71.9 134.2 4.5 19.6 14.0 25 25 D L S S+ 0 0 53 16,-2.6 494,-3.3 -2,-0.3 2,-0.3 0.911 73.9 8.1 -79.9 -51.1 6.3 21.9 16.4 26 26 D S E -BC 41 518A 24 15,-1.3 15,-1.9 492,-0.2 2,-0.4 -0.977 59.3-160.0-135.5 149.9 4.7 20.6 19.6 27 27 D Y E -BC 40 517A 0 490,-2.2 490,-2.2 -2,-0.3 2,-0.4 -0.999 11.4-175.3-126.9 127.5 2.5 17.7 20.5 28 28 D T E -BC 39 516A 9 11,-2.6 11,-2.4 -2,-0.4 2,-0.4 -0.983 0.4-174.0-127.4 133.9 0.4 17.7 23.8 29 29 D E E -BC 38 515A 3 486,-3.1 486,-2.7 -2,-0.4 2,-0.4 -0.994 3.6-166.6-132.4 132.9 -1.7 14.8 25.0 30 30 D S E +BC 37 514A 4 7,-2.5 7,-0.5 -2,-0.4 484,-0.3 -0.959 24.1 177.6-124.5 137.7 -4.0 14.8 28.0 31 31 D M + 0 0 0 482,-3.4 5,-0.2 -2,-0.4 483,-0.2 0.156 46.4 129.9-114.5 15.6 -5.7 12.0 29.9 32 32 D A S > S- 0 0 0 481,-0.6 3,-2.3 3,-0.5 -2,-0.1 -0.445 73.6 -86.9 -71.2 140.6 -7.2 14.4 32.5 33 33 D G T 3 S+ 0 0 14 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.245 111.8 4.4 -53.1 129.8 -11.0 14.0 33.0 34 34 D K T 3 S+ 0 0 154 -3,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.446 123.8 74.9 74.0 -3.1 -13.1 15.9 30.5 35 35 D R < + 0 0 68 -3,-2.3 2,-1.8 2,-0.1 -3,-0.5 -0.105 51.3 144.6-128.5 38.7 -9.9 17.0 28.8 36 36 D E + 0 0 6 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.579 42.8 115.8 -78.2 87.7 -9.0 13.7 27.0 37 37 D M E -B 30 0A 4 -2,-1.8 -7,-2.5 -7,-0.5 2,-0.4 -0.898 60.8-124.0-146.9 178.5 -7.5 15.5 23.9 38 38 D V E -BD 29 50A 1 12,-1.0 12,-1.9 -2,-0.3 2,-0.4 -0.976 19.5-166.4-131.5 137.1 -4.5 16.2 21.8 39 39 D I E -BD 28 49A 1 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.3 -0.986 5.6-170.7-124.6 134.0 -3.2 19.7 20.9 40 40 D I E -BD 27 48A 0 8,-2.8 8,-2.7 -2,-0.4 2,-0.3 -0.957 0.7-166.5-124.7 149.9 -0.7 20.4 18.2 41 41 D T E -BD 26 47A 25 -15,-1.9 -16,-2.6 -2,-0.3 -15,-1.3 -0.920 5.8-151.3-130.6 158.9 1.2 23.6 17.3 42 42 D F > - 0 0 2 4,-1.7 3,-3.0 -2,-0.3 4,-0.2 -0.907 34.2-109.3-126.8 155.4 3.3 24.8 14.3 43 43 D K T 3 S+ 0 0 150 -20,-0.4 -19,-0.1 -2,-0.3 -1,-0.0 0.693 116.5 71.0 -54.4 -23.6 6.2 27.3 14.1 44 44 D S T 3 S- 0 0 72 2,-0.1 -1,-0.3 -24,-0.1 3,-0.1 0.673 118.5-113.5 -65.8 -20.3 3.7 29.6 12.3 45 45 D G S < S+ 0 0 59 -3,-3.0 2,-0.3 1,-0.3 -2,-0.2 0.557 70.1 141.2 98.1 4.3 2.1 29.9 15.7 46 46 D E - 0 0 71 -4,-0.2 -4,-1.7 47,-0.0 2,-0.4 -0.623 34.1-158.8 -79.2 149.5 -1.1 28.1 14.8 47 47 D T E +D 41 0A 30 -2,-0.3 47,-0.7 -6,-0.2 2,-0.3 -0.973 11.6 177.6-132.2 134.7 -2.7 25.8 17.3 48 48 D F E -De 40 94A 0 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.3 -0.949 8.0-159.1-134.7 158.4 -5.2 22.9 16.6 49 49 D Q E -De 39 95A 7 45,-2.3 47,-2.9 -2,-0.3 2,-0.6 -0.891 22.5-135.8-133.1 160.6 -7.0 20.3 18.7 50 50 D V E -D 38 0A 0 -12,-1.9 -12,-1.0 -2,-0.3 47,-0.1 -0.997 50.0-120.0-110.0 117.1 -8.7 16.9 18.2 51 51 D E - 0 0 15 -2,-0.6 3,-0.1 45,-0.2 -16,-0.1 -0.187 19.4 -99.6 -64.4 155.8 -11.8 17.5 20.4 52 52 D V - 0 0 32 -18,-0.1 -1,-0.1 1,-0.1 -15,-0.1 -0.467 56.0 -94.0 -67.9 136.3 -12.8 15.6 23.4 53 53 D P + 0 0 58 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.411 67.3 154.7 -55.8 131.1 -15.5 13.1 22.3 54 54 D G > - 0 0 33 -2,-0.1 3,-2.0 -3,-0.1 -3,-0.0 -0.793 59.3 -71.1-146.8-172.0 -18.9 14.7 22.9 55 55 D S T 3 S+ 0 0 131 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.720 120.2 67.4 -60.3 -21.2 -22.5 14.9 21.9 56 56 D Q T 3 S+ 0 0 88 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.623 89.1 81.7 -76.5 -9.4 -21.5 16.6 18.7 57 57 D H S < S- 0 0 23 -3,-2.0 2,-0.2 79,-0.0 79,-0.1 -0.767 71.0-143.9-100.1 140.0 -19.9 13.3 17.5 58 58 D I >> - 0 0 64 -2,-0.4 3,-1.4 1,-0.1 4,-0.5 -0.490 35.0 -95.6 -92.4 167.9 -21.8 10.4 16.0 59 59 D D T >4 S+ 0 0 146 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.890 120.4 57.7 -47.8 -50.1 -21.0 6.7 16.6 60 60 D S T 3> S+ 0 0 34 1,-0.3 4,-0.7 2,-0.1 -1,-0.3 0.710 99.9 60.5 -58.7 -23.2 -18.9 6.3 13.4 61 61 D Q H <> S+ 0 0 9 -3,-1.4 4,-2.8 1,-0.2 -1,-0.3 0.672 83.0 80.6 -79.2 -18.5 -16.6 9.1 14.5 62 62 D K H S+ 0 0 77 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.869 116.1 56.0 -73.3 -29.4 -12.9 5.2 16.2 64 64 D A H X S+ 0 0 8 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.851 103.8 53.1 -70.2 -35.5 -12.0 7.9 13.8 65 65 D I H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.933 110.7 47.0 -62.9 -47.1 -11.2 10.4 16.6 66 66 D E H X S+ 0 0 36 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.897 111.5 51.4 -63.6 -38.0 -8.8 7.8 18.2 67 67 D R H X S+ 0 0 17 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.927 106.3 54.1 -64.0 -45.9 -7.2 7.2 14.8 68 68 D M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.905 109.4 48.1 -55.9 -42.0 -6.6 10.9 14.2 69 69 D K H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.914 110.6 51.1 -66.7 -38.9 -4.8 11.1 17.6 70 70 D D H X S+ 0 0 48 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.940 110.6 50.1 -61.1 -45.5 -2.7 8.1 16.7 71 71 D T H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.894 108.9 51.0 -59.9 -43.3 -1.8 9.8 13.3 72 72 D L H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.874 110.4 49.2 -64.3 -39.3 -0.8 13.0 15.0 73 73 D R H X S+ 0 0 32 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.967 115.4 41.6 -65.0 -52.8 1.5 11.3 17.5 74 74 D I H X S+ 0 0 48 -4,-2.3 4,-1.9 1,-0.2 6,-0.2 0.871 114.6 52.2 -64.6 -34.7 3.3 9.2 14.9 75 75 D T H X>S+ 0 0 0 -4,-2.5 5,-1.9 -5,-0.3 4,-0.6 0.915 112.5 46.3 -66.6 -42.2 3.5 12.1 12.5 76 76 D Y H ><5S+ 0 0 11 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.928 112.4 49.6 -63.2 -50.3 5.0 14.3 15.2 77 77 D L H 3<5S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.804 114.4 44.3 -59.7 -32.0 7.5 11.6 16.2 78 78 D T H 3<5S- 0 0 66 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.485 105.7-126.4 -93.6 -0.2 8.6 11.0 12.7 79 79 D E T <<5 + 0 0 102 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.818 47.1 172.9 58.7 30.4 8.9 14.7 11.9 80 80 D T < - 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