==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 30-NOV-06 2O2L . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN B CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.HOLMNER,G.ASKARIEH,M.OKVIST,U.KRENGEL . 1012 15 6 3 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 756 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 337 33.3 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 . 3 0.3 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 . 55 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 20.2 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 5 5 0 0 0 0 0 0 0 0 0 0 1 4 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 . 1 0 0 14 18 15 3 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 53 0, 0.0 134,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 153.6 -23.8 -55.0 -2.7 2 2 D P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.238 360.0-155.6 -66.3 152.7 -24.9 -51.4 -2.6 3 3 D Q S S+ 0 0 79 1,-0.1 2,-0.3 136,-0.1 3,-0.1 0.160 72.5 27.4-114.8 13.3 -23.4 -49.0 -5.1 4 4 D S S > S- 0 0 44 1,-0.1 4,-2.5 143,-0.0 5,-0.2 -0.964 80.7-107.1-167.4 160.4 -23.9 -45.8 -3.1 5 5 D I H > S+ 0 0 8 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.858 119.0 53.2 -62.1 -37.6 -24.3 -44.4 0.4 6 6 D T H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 110.1 47.4 -68.3 -35.9 -28.0 -43.8 -0.2 7 7 D E H > S+ 0 0 84 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.933 114.2 46.8 -69.3 -44.9 -28.5 -47.4 -1.3 8 8 D L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.911 111.9 51.2 -61.4 -45.2 -26.5 -48.8 1.7 9 9 D a H >< S+ 0 0 5 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 0.888 101.0 60.8 -61.4 -42.9 -28.4 -46.5 4.1 10 10 D S H 3< S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.653 94.4 67.1 -63.7 -14.6 -31.8 -47.6 2.9 11 11 D E T << S+ 0 0 86 -3,-1.1 -1,-0.3 -4,-0.6 2,-0.3 0.669 94.4 70.4 -74.8 -19.6 -30.9 -51.2 3.9 12 12 D Y S X S- 0 0 53 -3,-2.0 3,-0.5 -4,-0.3 2,-0.2 -0.703 76.9-124.3-107.1 154.3 -30.9 -50.4 7.6 13 13 D H T 3 S+ 0 0 169 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.601 92.2 22.2 -84.9 153.3 -33.5 -49.5 10.2 14 14 D N T 3 S+ 0 0 95 -2,-0.2 71,-2.0 1,-0.2 72,-0.4 0.792 98.0 123.3 59.0 34.6 -33.3 -46.2 12.2 15 15 D T E < +A 84 0A 26 -3,-0.5 2,-0.3 69,-0.3 69,-0.2 -0.874 34.1 176.6-119.6 156.6 -31.1 -44.5 9.6 16 16 D Q E -A 83 0A 71 67,-2.1 67,-2.6 -2,-0.3 2,-0.4 -0.985 28.5-116.9-149.3 158.8 -31.1 -41.4 7.6 17 17 D I E -A 82 0A 44 -2,-0.3 2,-0.5 65,-0.2 65,-0.2 -0.790 21.7-160.3 -89.7 134.4 -28.9 -39.6 5.1 18 18 D Y E -A 81 0A 78 63,-2.8 63,-2.0 -2,-0.4 2,-0.7 -0.980 12.1-143.5-107.9 128.1 -27.7 -36.2 6.0 19 19 D T E +A 80 0A 97 -2,-0.5 61,-0.2 61,-0.2 60,-0.1 -0.852 30.2 165.8 -86.1 117.2 -26.5 -34.0 3.1 20 20 D I E + 0 0 23 59,-2.1 -1,-0.2 -2,-0.7 60,-0.2 0.855 9.4 178.8-101.4 -52.1 -23.6 -32.2 4.7 21 21 D N E + 0 0 93 58,-1.6 2,-0.3 57,-0.4 58,-0.2 0.880 53.5 84.6 50.3 47.7 -21.9 -30.8 1.6 22 22 D D E S-A 78 0A 31 56,-1.3 56,-2.5 54,-0.1 -1,-0.2 -0.979 81.5 -95.8-167.4 159.3 -19.3 -29.1 3.8 23 23 D K - 0 0 75 -2,-0.3 2,-0.3 54,-0.3 54,-0.2 -0.404 56.5 -84.6 -78.6 165.9 -15.9 -29.7 5.6 24 24 D I - 0 0 2 52,-0.4 18,-0.2 47,-0.2 3,-0.1 -0.594 32.6-162.2 -77.3 128.7 -15.9 -30.6 9.3 25 25 D L S S+ 0 0 29 16,-2.1 485,-3.1 -2,-0.3 2,-0.4 0.929 73.5 9.4 -74.6 -50.3 -16.1 -27.5 11.7 26 26 D S E -BC 41 509A 16 15,-1.4 15,-1.9 483,-0.2 2,-0.4 -0.991 58.9-160.3-137.6 148.4 -14.8 -29.3 14.8 27 27 D Y E -BC 40 508A 0 481,-2.2 481,-2.1 -2,-0.4 2,-0.4 -0.992 11.9-175.6-125.2 123.9 -13.3 -32.6 15.6 28 28 D T E -BC 39 507A 7 11,-3.3 11,-2.8 -2,-0.4 2,-0.4 -0.971 0.9-174.4-122.4 141.1 -13.3 -34.0 19.2 29 29 D E E -BC 38 506A 4 477,-2.9 477,-2.6 -2,-0.4 2,-0.4 -0.996 2.4-170.9-139.2 131.8 -11.6 -37.2 20.3 30 30 D S E + C 0 505A 5 7,-2.4 7,-0.5 -2,-0.4 475,-0.3 -0.962 24.2 178.8-128.8 138.1 -11.8 -38.9 23.7 31 31 D M + 0 0 3 473,-3.5 5,-0.2 -2,-0.4 474,-0.2 0.092 44.3 134.1-116.3 15.3 -10.0 -41.8 25.4 32 32 D A S > S- 0 0 0 472,-0.7 3,-2.5 3,-0.5 -2,-0.1 -0.460 72.8 -86.8 -67.6 138.9 -11.9 -41.3 28.7 33 33 D G T 3 S+ 0 0 21 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.235 113.1 5.6 -56.0 128.5 -13.1 -44.7 30.1 34 34 D K T 3 S+ 0 0 162 -3,-0.1 -1,-0.3 1,-0.0 18,-0.1 0.468 123.7 72.1 70.6 6.9 -16.6 -45.6 28.6 35 35 D R < + 0 0 71 -3,-2.5 2,-2.1 16,-0.1 -3,-0.5 -0.176 50.9 146.3-137.0 40.0 -16.4 -42.5 26.3 36 36 D E + 0 0 6 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.579 42.6 126.2 -79.2 84.5 -13.8 -43.7 23.8 37 37 D M - 0 0 3 -2,-2.1 -7,-2.4 -7,-0.5 2,-0.4 -0.886 58.2-127.9-140.7 165.6 -15.6 -41.8 21.1 38 38 D V E -BD 29 50A 0 12,-1.5 12,-2.4 -2,-0.3 2,-0.4 -0.951 19.6-165.0-119.1 141.3 -15.2 -39.3 18.3 39 39 D I E -BD 28 49A 2 -11,-2.8 -11,-3.3 -2,-0.4 2,-0.3 -0.992 4.9-174.8-128.1 125.5 -17.4 -36.2 17.9 40 40 D I E -BD 27 48A 0 8,-2.3 8,-3.0 -2,-0.4 2,-0.3 -0.888 3.9-166.6-117.2 157.0 -17.7 -34.1 14.8 41 41 D T E -BD 26 47A 25 -15,-1.9 -16,-2.1 -2,-0.3 -15,-1.4 -0.937 4.7-154.0-141.4 149.2 -19.6 -30.9 14.3 42 42 D F > - 0 0 4 4,-2.1 3,-2.3 -2,-0.3 -18,-0.1 -0.905 32.1-115.1-127.1 158.9 -20.7 -28.8 11.4 43 43 D K T 3 S+ 0 0 147 -2,-0.3 -19,-0.1 1,-0.3 -1,-0.0 0.693 112.2 73.3 -70.4 -14.4 -21.5 -25.1 11.0 44 44 D S T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.1 694,-0.1 0.660 120.4-107.8 -62.2 -16.8 -25.0 -26.2 10.1 45 45 D G S < S+ 0 0 32 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.346 74.5 142.8 97.1 -2.1 -25.3 -27.0 13.9 46 46 D A - 0 0 19 -26,-0.1 -4,-2.1 692,-0.0 2,-0.4 -0.565 31.0-167.1 -77.2 132.0 -25.2 -30.8 13.2 47 47 D T E +D 41 0A 28 -2,-0.3 43,-0.6 -6,-0.2 2,-0.3 -0.982 7.9 178.6-119.5 136.8 -23.3 -32.9 15.7 48 48 D F E -De 40 90A 1 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.3 -0.921 9.3-157.9-135.2 154.6 -22.3 -36.5 15.1 49 49 D Q E -De 39 91A 10 41,-2.1 43,-2.5 -2,-0.3 2,-0.6 -0.908 21.6-138.8-124.9 154.7 -20.5 -39.2 17.0 50 50 D V E -D 38 0A 0 -12,-2.4 -12,-1.5 -2,-0.3 41,-0.1 -0.995 49.0-122.5-101.1 116.3 -18.7 -42.4 16.2 51 51 D E - 0 0 45 -2,-0.6 -16,-0.1 41,-0.2 -12,-0.0 -0.129 22.4 -92.6 -61.4 150.5 -20.0 -44.5 19.1 52 52 D V 0 0 46 -18,-0.1 -1,-0.1 1,-0.1 -15,-0.1 -0.321 360.0 360.0 -48.7 138.1 -18.0 -46.2 21.8 53 53 D P 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 -0.255 360.0 360.0 -65.0 360.0 -17.3 -49.8 20.5 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 59 D D > 0 0 160 0, 0.0 4,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -26.4 -15.8 -58.0 15.4 56 60 D S H > + 0 0 50 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.599 360.0 64.1 -81.9 -17.7 -15.1 -56.9 11.8 57 61 D Q H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.787 91.4 63.7 -67.6 -29.0 -17.1 -53.9 13.0 58 62 D K H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.961 105.5 42.8 -59.9 -51.5 -14.3 -53.2 15.4 59 63 D K H X S+ 0 0 116 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.890 114.2 52.4 -60.8 -37.8 -11.8 -52.6 12.6 60 64 D A H X S+ 0 0 10 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.862 106.3 53.0 -67.9 -38.3 -14.4 -50.5 10.8 61 65 D I H X S+ 0 0 13 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.953 110.9 46.8 -60.1 -50.4 -15.1 -48.3 13.8 62 66 D E H X S+ 0 0 32 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.905 111.6 51.9 -60.6 -41.1 -11.4 -47.6 14.1 63 67 D R H X S+ 0 0 16 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.922 107.1 52.7 -59.5 -46.6 -11.2 -46.8 10.3 64 68 D M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.949 109.7 47.9 -56.2 -48.7 -14.2 -44.4 10.6 65 69 D K H X S+ 0 0 9 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 112.1 50.9 -59.3 -38.9 -12.4 -42.5 13.4 66 70 D D H X S+ 0 0 46 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.919 111.0 48.9 -59.6 -47.9 -9.3 -42.4 11.2 67 71 D T H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.897 110.1 49.5 -63.7 -41.7 -11.2 -41.1 8.3 68 72 D L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.916 111.1 51.3 -66.8 -37.1 -12.9 -38.4 10.2 69 73 D R H X S+ 0 0 28 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.962 114.5 39.9 -62.3 -53.5 -9.6 -37.2 11.7 70 74 D I H X S+ 0 0 45 -4,-2.3 4,-2.1 1,-0.2 6,-0.2 0.835 113.9 55.9 -67.9 -31.7 -7.8 -37.0 8.4 71 75 D T H <>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.3 4,-0.4 0.886 110.3 45.3 -65.7 -40.8 -10.9 -35.5 6.7 72 76 D Y H ><5S+ 0 0 11 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.942 112.8 51.1 -65.6 -46.9 -11.0 -32.8 9.3 73 77 D L H 3<5S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.842 114.7 41.3 -62.7 -35.4 -7.2 -32.1 9.0 74 78 D T T 3<5S- 0 0 65 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.460 106.1-124.9 -91.4 -0.6 -7.3 -31.8 5.2 75 79 D E T < 5 + 0 0 94 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.843 45.4 179.4 57.3 34.5 -10.5 -29.7 5.2 76 80 D T < - 0 0 24 -5,-1.9 -52,-0.4 -6,-0.2 2,-0.4 -0.500 30.3-116.1 -70.8 133.7 -12.0 -32.3 2.9 77 81 D K - 0 0 113 -2,-0.2 21,-0.7 -54,-0.2 2,-0.4 -0.560 24.2-145.1 -73.2 120.6 -15.6 -31.7 1.8 78 82 D I E -AF 22 97A 0 -56,-2.5 -56,-1.3 -2,-0.4 -57,-0.4 -0.736 11.0-168.1 -84.6 135.0 -18.0 -34.4 3.0 79 83 D D E - 0 0 34 17,-2.3 -59,-2.1 -2,-0.4 -58,-1.6 0.932 64.6 -8.3 -84.6 -68.4 -20.9 -35.2 0.6 80 84 D K E -AF 19 96A 48 16,-0.7 16,-2.3 -61,-0.2 2,-0.4 -0.869 50.2-152.2-130.2 161.6 -23.2 -37.3 2.8 81 85 D L E -AF 18 95A 0 -63,-2.0 -63,-2.8 -2,-0.3 2,-0.7 -0.999 10.1-151.6-126.3 128.8 -23.4 -39.1 6.2 82 86 D a E +AF 17 94A 0 12,-3.1 11,-3.5 -2,-0.4 12,-2.0 -0.921 32.8 177.4 -93.0 118.3 -25.5 -42.1 6.8 83 87 D V E -AF 16 92A 0 -67,-2.6 -67,-2.1 -2,-0.7 2,-0.5 -0.892 37.2-120.5-126.4 152.7 -26.4 -42.0 10.5 84 88 D W E -AF 15 91A 41 7,-3.2 7,-1.5 -2,-0.3 3,-0.4 -0.798 23.9-164.4 -84.7 124.8 -28.4 -43.9 13.1 85 89 D N S S+ 0 0 67 -71,-2.0 -70,-0.1 -2,-0.5 -1,-0.1 0.122 74.5 78.8-105.9 20.2 -31.0 -41.4 14.4 86 90 D N S S+ 0 0 91 -72,-0.4 2,-0.3 5,-0.1 -1,-0.2 0.060 88.3 72.6-104.3 19.1 -32.0 -43.3 17.5 87 91 D K S S- 0 0 83 -3,-0.4 4,-0.0 4,-0.1 0, 0.0 -0.930 87.4-107.1-129.4 155.8 -28.9 -42.1 19.3 88 92 D T S S+ 0 0 93 -2,-0.3 2,-0.2 1,-0.2 -40,-0.1 -0.952 111.5 23.3-131.3 110.4 -27.9 -38.6 20.6 89 93 D P S S- 0 0 5 0, 0.0 -1,-0.2 0, 0.0 -41,-0.2 0.586 116.1-100.5 -76.5 170.0 -25.9 -37.4 18.9 90 94 D N E -e 48 0A 26 -43,-0.6 -41,-2.1 -2,-0.2 2,-0.4 -0.278 39.6-128.8 -57.5 137.3 -26.7 -39.3 15.7 91 95 D S E -eF 49 84A 0 -7,-1.5 -7,-3.2 -43,-0.2 2,-0.4 -0.758 18.8-116.5 -98.6 136.8 -24.1 -42.1 15.3 92 96 D I E + F 0 83A 0 -43,-2.5 -9,-0.3 -2,-0.4 -41,-0.2 -0.555 36.1 166.0 -81.5 128.0 -22.3 -42.4 12.0 93 97 D A E S- 0 0 1 -11,-3.5 38,-3.0 1,-0.4 39,-0.8 0.699 70.1 -1.2-104.5 -34.1 -22.8 -45.5 9.9 94 98 D A E -GF 130 82A 0 -12,-2.0 -12,-3.1 36,-0.3 -1,-0.4 -0.992 55.7-155.8-158.1 157.2 -21.2 -44.3 6.6 95 99 D I E -GF 129 81A 0 34,-2.8 34,-2.9 -2,-0.3 2,-0.3 -0.968 5.3-166.4-133.1 144.4 -19.6 -41.4 5.0 96 100 D S E -GF 128 80A 3 -16,-2.3 -17,-2.3 -2,-0.3 -16,-0.7 -0.977 5.8-168.5-131.3 148.3 -19.2 -40.3 1.3 97 101 D M E -GF 127 78A 0 30,-1.9 30,-2.0 -2,-0.3 2,-0.3 -0.988 7.4-153.7-140.6 146.6 -16.9 -37.6 -0.1 98 102 D E E G 126 0A 86 -21,-0.7 28,-0.2 -2,-0.3 27,-0.1 -0.897 360.0 360.0-168.5 134.5 -16.7 -36.0 -3.6 99 103 D K 0 0 131 26,-0.5 -1,-0.2 -2,-0.3 27,-0.2 0.180 360.0 360.0-113.7 360.0 -14.8 -34.5 -5.6 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 1 E A 0 0 49 0, 0.0 138,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 154.7 5.6 -63.5 -9.1 102 2 E P - 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