==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-JUN-12 4FP5 . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN IIB, B CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.CODY,J.PACE,H.NAWAR,S.LIANG,T.CONNELL,G.HAJISHENGALLIS . 490 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 33.7 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 . 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 . 17 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 24.1 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 0 0 1 4 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 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 4 3 9 7 2 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 G 0 0 61 0, 0.0 3,-0.1 0, 0.0 78,-0.1 0.000 360.0 360.0 360.0 135.9 -8.3 -3.0 45.5 2 2 D A - 0 0 9 1,-0.1 17,-0.1 76,-0.1 122,-0.0 -0.272 360.0-100.8 -50.2 143.8 -5.6 -3.0 43.0 3 3 D S > - 0 0 14 1,-0.2 4,-2.7 4,-0.0 5,-0.2 -0.343 27.1-119.4 -62.9 150.5 -4.3 -6.5 42.2 4 4 D Q H > S+ 0 0 109 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.901 115.4 59.0 -57.8 -36.0 -1.1 -7.3 44.0 5 5 D F H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.954 107.0 44.9 -56.0 -48.6 0.5 -7.8 40.5 6 6 D F H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 115.5 48.2 -66.4 -43.1 -0.4 -4.2 39.5 7 7 D K H X S+ 0 0 52 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.933 111.3 49.8 -61.7 -45.0 0.8 -2.8 42.9 8 8 D D H X S+ 0 0 84 -4,-3.6 4,-0.7 1,-0.2 -2,-0.2 0.919 112.2 48.1 -60.5 -43.7 4.1 -4.8 42.7 9 9 D N H >< S+ 0 0 9 -4,-2.3 3,-0.9 -5,-0.3 -1,-0.2 0.929 112.1 47.8 -61.9 -43.1 4.7 -3.5 39.1 10 10 D a H >< S+ 0 0 5 -4,-2.4 3,-1.9 1,-0.3 5,-0.3 0.896 105.1 60.8 -64.3 -39.1 4.0 0.1 40.0 11 11 D N H 3< S+ 0 0 127 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.654 95.8 61.6 -65.9 -14.0 6.3 -0.2 43.1 12 12 D R T << S+ 0 0 166 -3,-0.9 -1,-0.3 -4,-0.7 2,-0.2 0.140 103.2 66.9 -84.6 0.7 9.2 -1.0 40.7 13 13 D T S < S- 0 0 39 -3,-1.9 117,-0.0 2,-0.2 -3,-0.0 -0.823 88.9-114.9-114.8 171.5 8.8 2.5 39.1 14 14 D T S S+ 0 0 113 -2,-0.2 2,-0.1 2,-0.1 -3,-0.1 0.367 90.3 95.9 -80.0 -3.3 9.1 6.2 40.0 15 15 D A S S- 0 0 11 -5,-0.3 2,-0.3 68,-0.2 68,-0.3 -0.366 72.5-122.7 -81.9 177.1 5.4 6.5 39.5 16 16 D S E -A 82 0A 63 66,-2.8 66,-2.9 -2,-0.1 2,-0.4 -0.885 16.0-116.2-123.6 152.6 2.8 6.3 42.3 17 17 D L E -A 81 0A 55 -2,-0.3 2,-0.5 64,-0.2 64,-0.2 -0.623 23.5-175.3 -87.0 133.5 -0.2 4.1 42.9 18 18 D V E -A 80 0A 45 62,-2.6 62,-3.0 -2,-0.4 2,-0.4 -0.994 15.8-161.3-126.4 121.7 -3.6 5.6 42.9 19 19 D E E + 0 0 90 -2,-0.5 60,-0.2 60,-0.2 -2,-0.0 -0.827 57.0 6.2-111.6 143.9 -6.4 3.1 43.8 20 20 D G E S+ 0 0 21 -2,-0.4 2,-0.2 1,-0.2 59,-0.2 0.824 75.0 176.3 71.2 28.9 -10.1 3.0 43.4 21 21 D V E -A 78 0A 14 57,-2.4 57,-1.8 -3,-0.3 2,-0.8 -0.527 23.8-147.0 -73.9 134.4 -10.4 6.2 41.3 22 22 D E E -A 77 0A 92 -2,-0.2 20,-2.5 55,-0.2 2,-0.4 -0.897 14.1-155.3-103.1 110.2 -13.8 7.1 40.0 23 23 D L E +B 41 0A 2 -2,-0.8 18,-0.3 53,-0.5 52,-0.2 -0.728 21.2 169.4 -88.9 126.1 -13.4 8.8 36.6 24 24 D T E + 0 0 26 16,-2.8 470,-2.7 -2,-0.4 2,-0.3 0.496 60.1 42.0-117.6 -8.0 -16.3 11.0 35.7 25 25 D K E -BC 40 493A 30 15,-1.7 15,-2.2 468,-0.2 2,-0.4 -0.998 55.1-164.7-141.7 148.7 -15.0 12.9 32.6 26 26 D Y E -BC 39 492A 0 466,-1.7 466,-2.9 -2,-0.3 2,-0.4 -0.999 17.3-164.5-130.2 124.0 -13.0 11.9 29.5 27 27 D I E -BC 38 491A 0 11,-3.0 11,-2.2 -2,-0.4 2,-0.4 -0.926 16.0-172.6-120.7 135.1 -11.4 14.7 27.4 28 28 D S E +BC 37 490A 0 462,-2.3 462,-2.5 -2,-0.4 2,-0.4 -0.997 17.2 176.6-115.2 132.8 -10.0 14.8 23.9 29 29 D D E +BC 36 489A 1 7,-2.3 7,-2.3 -2,-0.4 460,-0.2 -0.998 24.2 176.1-140.4 130.9 -8.3 18.0 22.9 30 30 D I + 0 0 34 458,-2.7 5,-0.2 -2,-0.4 2,-0.1 0.208 43.8 124.4-114.6 14.5 -6.4 19.1 19.8 31 31 D N S >> S- 0 0 14 457,-0.4 3,-1.7 3,-0.2 4,-1.1 -0.452 74.2 -86.8 -72.7 150.9 -5.7 22.7 20.7 32 32 D N T 34 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.247 109.3 2.9 -54.9 133.6 -2.1 23.9 20.6 33 33 D N T 34 S+ 0 0 115 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.340 130.0 58.9 70.9 -8.0 -0.2 23.3 23.8 34 34 D T T <4 S+ 0 0 6 -3,-1.7 -2,-0.2 371,-0.0 -3,-0.2 0.288 72.3 134.8-122.4 5.1 -3.1 21.5 25.5 35 35 D D < + 0 0 40 -4,-1.1 2,-0.3 -5,-0.2 -5,-0.2 -0.270 33.9 78.7 -61.5 146.7 -3.6 18.7 23.1 36 36 D G E S-B 29 0A 2 -7,-2.3 -7,-2.3 417,-0.1 2,-0.4 -0.914 75.9 -75.6 150.3-179.3 -4.0 15.2 24.5 37 37 D M E +B 28 0A 7 12,-0.4 12,-2.7 -2,-0.3 2,-0.3 -0.972 50.7 172.9-113.1 135.0 -6.3 12.7 26.0 38 38 D Y E -BD 27 48A 2 -11,-2.2 -11,-3.0 -2,-0.4 2,-0.4 -0.926 22.4-149.5-141.1 158.9 -7.2 13.2 29.7 39 39 D V E -BD 26 47A 0 8,-2.4 8,-2.4 -2,-0.3 2,-0.4 -0.949 9.0-155.5-129.5 150.6 -9.4 11.9 32.4 40 40 D V E -BD 25 46A 2 -15,-2.2 -16,-2.8 -2,-0.4 -15,-1.7 -0.990 14.6-135.8-126.6 137.1 -10.9 13.7 35.4 41 41 D S E > -B 23 0A 7 4,-2.7 3,-2.7 -2,-0.4 -18,-0.3 -0.428 30.9 -98.7 -91.0 170.0 -11.9 12.0 38.6 42 42 D S T 3 S+ 0 0 62 -20,-2.5 -19,-0.1 1,-0.3 -1,-0.1 0.656 127.0 48.8 -60.3 -22.6 -15.1 12.5 40.8 43 43 D T T 3 S- 0 0 129 -21,-0.2 -1,-0.3 2,-0.1 -20,-0.1 0.351 125.8-101.4 -98.6 3.1 -13.1 14.8 43.1 44 44 D G < + 0 0 46 -3,-2.7 357,-0.2 1,-0.3 -2,-0.1 0.317 69.1 145.9 94.7 -0.1 -11.6 16.9 40.1 45 45 D G - 0 0 29 -5,-0.1 -4,-2.7 1,-0.1 2,-0.4 -0.358 35.7-145.1 -65.9 149.2 -8.0 15.4 39.7 46 46 D V E -D 40 0A 33 -6,-0.2 43,-0.8 -2,-0.0 2,-0.3 -0.926 17.0-177.3-125.7 135.6 -6.7 15.3 36.1 47 47 D W E -De 39 89A 27 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.5 -0.981 21.3-133.4-128.1 147.4 -4.5 12.7 34.4 48 48 D R E -De 38 90A 69 41,-2.3 43,-2.7 -2,-0.3 2,-0.4 -0.839 21.3-132.4 -92.0 134.2 -3.0 12.5 31.0 49 49 D I E - e 0 91A 7 -12,-2.7 -12,-0.4 -2,-0.5 43,-0.1 -0.682 31.2-110.4 -81.2 132.7 -3.3 9.2 29.1 50 50 D S - 0 0 11 41,-0.9 2,-0.3 -2,-0.4 15,-0.1 -0.219 33.2-157.4 -56.4 153.6 0.0 8.2 27.6 51 51 D R + 0 0 100 -3,-0.0 2,-0.3 11,-0.0 7,-0.1 -0.974 13.6 175.5-128.2 156.6 0.3 8.3 23.8 52 52 D A - 0 0 23 -2,-0.3 10,-0.1 6,-0.1 9,-0.1 -0.952 22.8-155.9-159.0 135.8 2.7 6.5 21.4 53 53 D K S S+ 0 0 131 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.878 74.0 57.6 -77.1 -31.9 2.9 6.3 17.6 54 54 D D S > S- 0 0 113 1,-0.1 4,-2.0 4,-0.0 3,-0.3 -0.592 87.0 -61.7-110.8 161.5 4.7 3.0 17.3 55 55 D Y T 4 S+ 0 0 78 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.497 107.3 20.0 -65.7 138.3 4.4 -0.7 18.2 56 56 D P T >> S+ 0 0 36 0, 0.0 3,-1.2 0, 0.0 4,-1.2 -0.993 127.4 44.1 -94.3 -10.3 4.3 -2.0 20.9 57 57 D D H 3> S+ 0 0 50 -3,-0.3 4,-3.0 1,-0.3 5,-0.3 0.739 100.8 69.7 -69.4 -23.0 3.2 1.0 22.9 58 58 D N H 3X S+ 0 0 57 -4,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.846 100.8 50.4 -60.9 -28.7 0.6 2.1 20.4 59 59 D V H <> S+ 0 0 26 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.961 112.3 43.5 -70.7 -55.3 -1.3 -1.0 21.5 60 60 D M H X S+ 0 0 3 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.897 113.3 51.1 -64.3 -37.6 -1.2 -0.4 25.2 61 61 D T H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.914 107.9 52.7 -69.1 -34.1 -2.0 3.3 24.8 62 62 D A H X S+ 0 0 22 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.913 110.0 49.8 -61.0 -37.3 -5.0 2.5 22.7 63 63 D E H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.854 105.3 56.7 -70.2 -29.3 -6.2 0.1 25.4 64 64 D M H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.917 107.6 48.2 -62.7 -42.1 -5.7 2.8 28.0 65 65 D R H X S+ 0 0 26 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 112.0 49.4 -66.8 -38.5 -8.1 5.0 26.1 66 66 D K H X S+ 0 0 70 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.919 111.8 48.9 -65.9 -38.0 -10.6 2.1 25.8 67 67 D I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.908 110.8 50.4 -63.9 -47.2 -10.3 1.5 29.6 68 68 D A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 112.9 45.9 -55.8 -47.9 -10.8 5.2 30.4 69 69 D M H X S+ 0 0 20 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.938 112.6 49.7 -64.5 -44.1 -13.9 5.4 28.2 70 70 D A H X S+ 0 0 12 -4,-2.5 4,-2.6 -5,-0.2 6,-0.4 0.909 109.9 51.6 -62.3 -35.4 -15.3 2.2 29.6 71 71 D A H X>S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 5,-1.2 0.933 112.9 45.3 -67.7 -41.5 -14.8 3.4 33.2 72 72 D V H <5S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.911 115.3 46.0 -70.6 -39.4 -16.5 6.7 32.5 73 73 D L H <5S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.880 124.5 31.2 -69.8 -36.1 -19.4 5.2 30.7 74 74 D A H <5S- 0 0 70 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.536 102.5-119.4-102.1 -4.6 -20.1 2.4 33.2 75 75 D G T <5 + 0 0 47 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.837 58.8 155.6 66.7 38.1 -18.9 4.0 36.5 76 76 D M < - 0 0 25 -5,-1.2 -53,-0.5 -6,-0.4 -1,-0.2 -0.691 40.4-118.7 -92.0 152.8 -16.3 1.4 37.0 77 77 D R E -A 22 0A 131 20,-0.4 20,-2.4 -2,-0.3 2,-0.3 -0.446 24.4-157.0 -86.9 156.2 -13.2 2.2 39.1 78 78 D V E -AF 21 96A 0 -57,-1.8 -57,-2.4 18,-0.2 2,-0.4 -0.937 11.0-144.0-126.2 154.4 -9.6 2.2 37.9 79 79 D N E - F 0 95A 0 16,-2.3 16,-2.7 -2,-0.3 2,-0.3 -0.948 26.5-162.4-112.6 136.2 -6.3 1.8 39.6 80 80 D M E -AF 18 94A 0 -62,-3.0 -62,-2.6 -2,-0.4 2,-0.6 -0.937 26.9-153.9-123.7 146.2 -3.5 3.9 38.1 81 81 D a E +AF 17 93A 0 12,-2.6 11,-2.9 -2,-0.3 12,-1.3 -0.988 37.8 178.6-108.7 107.2 0.3 4.0 38.1 82 82 D A E -AF 16 91A 2 -66,-2.9 -66,-2.8 -2,-0.6 9,-0.2 -0.960 29.2-128.8-125.9 130.4 0.9 7.7 37.4 83 83 D S E - F 0 90A 5 7,-2.7 7,-0.8 -2,-0.4 3,-0.5 -0.627 7.5-157.1 -76.5 129.1 4.1 9.6 37.2 84 84 D P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -69,-0.1 0.403 72.2 97.5 -83.9 5.5 4.1 12.8 39.4 85 85 D A S S+ 0 0 84 5,-0.1 2,-0.2 -71,-0.0 4,-0.1 0.817 87.0 26.0 -63.2 -39.7 6.9 14.3 37.1 86 86 D S S S- 0 0 62 -3,-0.5 4,-0.1 2,-0.1 0, 0.0 -0.700 89.6 -87.4-127.4 168.6 4.5 16.5 35.0 87 87 D S S S+ 0 0 114 -2,-0.2 2,-0.1 2,-0.1 -40,-0.1 -0.997 114.6 32.7-126.7 123.7 1.1 18.2 35.3 88 88 D P S S- 0 0 21 0, 0.0 -41,-0.2 0, 0.0 -1,-0.1 0.642 110.5-114.6 -65.0 151.9 -1.3 16.6 34.6 89 89 D N E -e 47 0A 53 -43,-0.8 -41,-2.3 -2,-0.1 2,-0.4 -0.415 29.4-122.2 -58.4 135.9 0.3 13.4 35.9 90 90 D V E -eF 48 83A 23 -7,-0.8 -7,-2.7 -43,-0.2 2,-0.6 -0.711 15.2-128.7 -90.1 128.0 0.9 10.9 33.1 91 91 D I E +eF 49 82A 2 -43,-2.7 -41,-0.9 -2,-0.4 -9,-0.2 -0.716 29.0 172.1 -74.9 116.8 -0.7 7.4 33.4 92 92 D W E S+ 0 0 68 -11,-2.9 37,-2.8 -2,-0.6 38,-0.4 0.605 71.9 9.4-100.1 -21.9 1.9 4.7 32.8 93 93 D A E -GF 128 81A 2 -12,-1.3 -12,-2.6 35,-0.2 -1,-0.4 -0.965 65.4-171.1-150.8 153.3 -0.3 1.8 33.7 94 94 D I E -GF 127 80A 3 33,-2.5 33,-2.4 -2,-0.3 2,-0.5 -0.999 8.2-158.2-147.0 143.8 -4.0 1.4 34.4 95 95 D E E -GF 126 79A 0 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.4 -0.983 11.3-149.5-126.9 117.2 -6.2 -1.4 35.7 96 96 D L E -GF 125 78A 0 29,-3.2 29,-1.6 -2,-0.5 2,-0.5 -0.759 14.5-153.9 -81.5 131.7 -9.9 -1.5 35.0 97 97 D E E G 124 0A 17 -20,-2.4 -20,-0.4 -2,-0.4 27,-0.2 -0.934 360.0 360.0-110.6 133.8 -11.9 -3.2 37.8 98 98 D A 0 0 83 25,-2.8 -1,-0.1 -2,-0.5 26,-0.1 0.781 360.0 360.0 -85.9 360.0 -15.3 -4.8 37.2 99 !* 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 0.0 100 1 E G 0 0 64 0, 0.0 78,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 171.3 -16.8 -25.2 29.4 101 2 E A - 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