==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENTEROTOXIN 15-FEB-95 1HTL . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN, SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.A.MERRITT,W.G.J.HOL . 741 7 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 201 27.1 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.1 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 1 6 2 1 0 0 0 1 0 0 0 0 0 0 1 1 3 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 2 4 1 5 15 3 4 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 . 1 0 1 0 1 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 60 0, 0.0 2,-0.1 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 147.7 17.2 66.8 19.8 2 2 D P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.311 360.0-147.2 -81.1 173.0 14.0 66.9 17.6 3 3 D Q S S+ 0 0 80 1,-0.1 2,-0.3 -2,-0.1 149,-0.1 0.544 74.2 42.0-120.2 -14.4 10.3 67.3 18.8 4 4 D T S > S- 0 0 61 1,-0.1 4,-1.8 96,-0.0 3,-0.1 -0.928 77.5-118.0-133.0 161.2 8.2 65.2 16.3 5 5 D I H > S+ 0 0 6 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.826 114.9 57.6 -64.9 -33.0 8.6 61.8 14.6 6 6 D T H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.874 107.6 45.3 -68.5 -36.0 8.6 63.5 11.3 7 7 D E H 4 S+ 0 0 102 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.866 113.3 52.7 -73.2 -32.4 11.6 65.6 12.3 8 8 D L H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.958 105.6 52.9 -65.4 -49.7 13.3 62.5 13.7 9 9 D a H >< S+ 0 0 4 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.800 101.6 60.9 -57.9 -32.8 12.8 60.5 10.6 10 10 D S T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.460 84.9 71.0 -82.7 0.4 14.5 63.0 8.3 11 11 D E T < S+ 0 0 83 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.350 96.1 82.9 -89.0 5.2 17.9 63.1 9.9 12 12 D Y S X S- 0 0 55 -3,-1.1 3,-0.6 -4,-0.1 2,-0.3 -0.814 77.9-124.1-116.0 156.8 18.2 59.7 8.4 13 13 D R T 3 S+ 0 0 221 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.679 91.4 7.2 -94.6 142.9 19.0 58.2 5.1 14 14 D N T 3 S+ 0 0 101 -2,-0.3 75,-2.8 1,-0.2 76,-0.5 0.798 96.4 133.6 56.1 35.3 16.6 55.8 3.3 15 15 D T E < -A 88 0A 26 -3,-0.6 2,-0.3 73,-0.2 73,-0.2 -0.638 31.8-175.8-106.5 169.2 13.8 56.5 5.8 16 16 D Q E -A 87 0A 79 71,-1.5 71,-3.2 -2,-0.2 2,-0.4 -0.973 21.7-124.9-164.1 146.9 10.2 57.2 5.2 17 17 D I E -A 86 0A 48 -2,-0.3 2,-0.4 69,-0.2 69,-0.2 -0.858 20.2-167.7-102.8 132.9 7.0 58.1 7.2 18 18 D Y E -A 85 0A 49 67,-2.8 67,-2.4 -2,-0.4 2,-0.6 -0.970 14.9-141.7-116.9 134.5 3.9 56.1 6.9 19 19 D T E +A 84 0A 96 -2,-0.4 65,-0.3 65,-0.2 64,-0.1 -0.863 29.5 163.7 -95.2 121.6 0.6 57.3 8.4 20 20 D I E - 0 0 23 63,-3.9 63,-0.2 -2,-0.6 64,-0.2 0.841 13.4-178.4-100.8 -59.7 -1.4 54.4 9.9 21 21 D N E + 0 0 93 62,-1.2 2,-0.3 61,-0.8 62,-0.2 0.873 56.8 96.6 57.8 38.2 -4.0 55.8 12.1 22 22 D D E S-A 82 0A 25 60,-1.7 60,-2.7 58,-0.1 -1,-0.2 -0.984 76.9-103.0-154.3 160.1 -5.0 52.3 13.0 23 23 D K - 0 0 53 -2,-0.3 20,-0.4 58,-0.3 2,-0.4 -0.485 51.0 -91.2 -80.8 155.9 -4.5 49.4 15.4 24 24 D I - 0 0 3 56,-0.4 18,-0.2 -2,-0.2 -1,-0.1 -0.553 34.7-166.4 -72.1 123.9 -2.2 46.5 14.7 25 25 D L + 0 0 41 16,-1.8 494,-2.8 -2,-0.4 2,-0.3 0.888 69.5 16.3 -76.1 -46.5 -4.2 43.7 13.0 26 26 D S E -BC 41 518A 18 15,-1.6 15,-1.6 492,-0.2 2,-0.4 -0.966 60.1-164.5-132.0 152.0 -1.6 40.8 13.3 27 27 D Y E -BC 40 517A 0 490,-1.8 490,-2.1 -2,-0.3 2,-0.4 -0.999 6.1-174.1-138.0 127.0 1.5 40.3 15.4 28 28 D T E -BC 39 516A 5 11,-2.9 11,-2.3 -2,-0.4 2,-0.5 -0.990 0.7-173.2-128.6 124.0 4.1 37.6 14.8 29 29 D E E -BC 38 515A 5 486,-2.0 486,-1.7 -2,-0.4 2,-0.4 -0.974 6.7-172.5-117.7 129.3 6.9 36.9 17.1 30 30 D S E +BC 37 514A 4 7,-2.3 7,-1.6 -2,-0.5 484,-0.3 -0.973 25.6 179.4-130.3 126.2 9.6 34.5 16.1 31 31 D M + 0 0 0 482,-3.1 5,-0.2 -2,-0.4 483,-0.2 0.180 43.0 138.6-101.1 13.6 12.5 33.1 18.1 32 32 D A > - 0 0 1 3,-0.5 3,-2.1 481,-0.5 -2,-0.1 -0.270 69.6 -83.0 -58.4 143.0 13.7 31.0 15.1 33 33 D G T 3 S- 0 0 17 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.274 111.8 -1.2 -54.8 131.6 17.5 31.0 14.7 34 34 D K T 3 S+ 0 0 149 -3,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.607 125.2 76.3 60.3 16.3 18.8 34.1 12.8 35 35 D R < + 0 0 66 -3,-2.1 2,-0.6 16,-0.1 -3,-0.5 -0.181 52.2 148.1-143.5 36.7 15.1 35.3 12.5 36 36 D E + 0 0 3 -5,-0.2 2,-0.3 -7,-0.1 -5,-0.2 -0.726 38.5 114.9 -75.7 116.5 14.4 36.6 16.0 37 37 D M E -B 30 0A 7 -7,-1.6 -7,-2.3 -2,-0.6 2,-0.4 -0.974 61.8-116.1-175.1 166.5 12.0 39.3 15.1 38 38 D V E -BD 29 50A 1 12,-0.8 12,-1.4 -2,-0.3 2,-0.4 -0.932 22.6-167.9-120.6 136.2 8.5 40.8 15.3 39 39 D I E -BD 28 49A 2 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.3 -0.985 7.1-175.2-123.5 136.1 6.3 41.3 12.2 40 40 D I E -BD 27 48A 0 8,-2.0 8,-1.8 -2,-0.4 2,-0.3 -0.954 3.7-165.1-130.9 151.8 3.2 43.3 12.4 41 41 D T E -BD 26 47A 22 -15,-1.6 -16,-1.8 -2,-0.3 -15,-1.6 -0.989 8.1-147.7-138.9 150.1 0.5 44.0 9.8 42 42 D F > - 0 0 2 4,-1.7 3,-2.6 -2,-0.3 -18,-0.1 -0.785 33.3-110.7-113.7 156.3 -2.3 46.4 9.4 43 43 D K T 3 S+ 0 0 157 -20,-0.4 -19,-0.1 1,-0.3 -1,-0.0 0.594 115.7 72.2 -62.3 -10.2 -5.7 45.8 7.6 44 44 D S T 3 S- 0 0 76 2,-0.1 -1,-0.3 -24,-0.0 -24,-0.0 0.721 119.5-110.3 -72.9 -24.9 -4.5 48.3 5.0 45 45 D G S < S+ 0 0 59 -3,-2.6 -2,-0.1 1,-0.3 2,-0.1 0.314 70.6 139.2 111.2 -3.7 -2.1 45.4 3.9 46 46 D E - 0 0 66 47,-0.0 -4,-1.7 -4,-0.0 2,-0.4 -0.444 32.9-161.6 -77.8 148.3 1.2 46.9 5.1 47 47 D T E +D 41 0A 28 -6,-0.2 47,-0.8 -2,-0.1 2,-0.3 -0.992 11.9 172.6-135.3 126.5 3.9 44.8 6.8 48 48 D F E -De 40 94A 1 -8,-1.8 -8,-2.0 -2,-0.4 2,-0.3 -0.851 10.9-157.0-127.1 163.2 6.8 46.0 8.9 49 49 D Q E -De 39 95A 13 45,-2.5 47,-1.7 -2,-0.3 2,-0.6 -0.845 22.7-132.1-137.7 164.5 9.4 44.4 11.0 50 50 D V E -D 38 0A 2 -12,-1.4 -12,-0.8 -2,-0.3 45,-0.1 -0.999 50.7-127.0-115.7 109.3 11.8 45.1 13.9 51 51 D E - 0 0 14 -2,-0.6 -16,-0.1 45,-0.2 -13,-0.1 0.049 20.3 -83.8 -61.6 170.6 15.0 43.7 12.5 52 52 D V - 0 0 37 -18,-0.1 2,-1.3 1,-0.1 -1,-0.1 -0.521 48.2-105.7 -75.8 133.3 17.5 41.2 13.8 53 53 D P + 0 0 31 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.507 68.4 144.2 -62.8 94.6 20.1 42.6 16.1 54 54 D G - 0 0 24 -2,-1.3 3,-0.3 0, 0.0 8,-0.1 -0.132 67.0 -77.5-109.8-144.8 23.0 42.5 13.6 55 55 D S S S+ 0 0 123 1,-0.2 4,-0.1 -2,-0.1 0, 0.0 0.601 111.4 83.0 -98.5 -14.3 26.0 44.8 12.9 56 56 D Q S S+ 0 0 112 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.297 87.3 78.0 -69.9 9.8 24.0 47.4 11.0 57 57 D H S S- 0 0 6 -3,-0.3 2,-0.2 80,-0.0 5,-0.0 -0.984 81.6-132.8-125.6 132.7 23.3 48.6 14.6 58 58 D I >> - 0 0 68 -2,-0.4 3,-2.1 1,-0.1 4,-0.5 -0.528 40.6-100.3 -77.9 152.0 25.6 50.6 16.8 59 59 D D T >4 S+ 0 0 138 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.838 118.6 61.9 -43.2 -47.3 25.8 49.1 20.3 60 60 D S T >> S+ 0 0 51 1,-0.3 3,-0.7 2,-0.2 4,-0.7 0.763 95.0 64.9 -53.5 -26.9 23.4 51.6 21.9 61 61 D Q H <> S+ 0 0 13 -3,-2.1 4,-2.2 1,-0.2 3,-0.3 0.783 82.4 76.7 -69.3 -29.4 20.6 50.4 19.6 62 62 D K H S+ 0 0 22 -3,-0.7 4,-1.2 -4,-0.4 -1,-0.2 0.822 113.6 53.1 -82.0 -21.4 18.6 48.0 24.2 64 64 D A H X S+ 0 0 3 -4,-0.7 4,-1.8 -3,-0.3 -2,-0.2 0.780 103.8 56.7 -79.0 -30.5 16.3 50.2 22.0 65 65 D I H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.929 106.8 47.7 -65.4 -49.1 15.4 47.3 19.8 66 66 D E H X S+ 0 0 15 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.874 110.0 54.2 -61.5 -36.6 14.2 45.2 22.7 67 67 D R H X S+ 0 0 4 -4,-1.2 4,-2.0 1,-0.2 3,-0.3 0.915 104.4 54.5 -65.1 -42.0 12.2 48.2 23.9 68 68 D M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.814 105.3 52.0 -62.1 -36.7 10.5 48.5 20.5 69 69 D K H X S+ 0 0 8 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.824 108.6 51.9 -70.4 -28.4 9.3 44.8 20.5 70 70 D D H X S+ 0 0 12 -4,-1.3 4,-2.3 -3,-0.3 5,-0.2 0.901 110.2 49.3 -70.2 -44.8 7.7 45.4 24.0 71 71 D T H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.939 110.2 49.1 -59.3 -52.4 5.9 48.4 22.7 72 72 D L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.866 111.3 50.5 -59.2 -35.7 4.5 46.6 19.7 73 73 D R H X S+ 0 0 7 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.975 114.3 42.4 -66.7 -51.5 3.3 43.7 21.8 74 74 D I H X S+ 0 0 8 -4,-2.3 4,-2.1 2,-0.2 6,-0.2 0.807 114.4 52.7 -65.5 -28.1 1.5 45.9 24.4 75 75 D T H X>S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 5,-1.4 0.940 112.8 43.6 -72.2 -46.1 0.1 48.1 21.6 76 76 D Y H <5S+ 0 0 11 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.927 115.1 49.0 -64.1 -45.1 -1.3 45.1 19.7 77 77 D L H <5S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.895 117.8 39.5 -63.7 -39.3 -2.7 43.6 22.9 78 78 D T H <5S- 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.692 105.0-126.0 -84.0 -18.4 -4.4 46.8 24.0 79 79 D E T <5 + 0 0 102 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.742 44.5 171.0 77.0 28.7 -5.6 47.8 20.5 80 80 D T < - 0 0 19 -5,-1.4 -56,-0.4 -6,-0.2 -1,-0.2 -0.548 37.0-114.6 -72.2 134.7 -4.0 51.3 20.7 81 81 D K - 0 0 101 -2,-0.3 2,-0.5 -58,-0.2 -58,-0.3 -0.390 22.3-142.3 -72.2 133.2 -4.1 53.1 17.4 82 82 D I E -A 22 0A 0 -60,-2.7 -60,-1.7 1,-0.2 -61,-0.8 -0.898 14.4-169.4 -94.8 133.0 -0.7 53.7 15.9 83 83 D D E - 0 0 41 17,-2.3 -63,-3.9 -2,-0.5 -62,-1.2 0.950 60.0 -2.7 -84.5 -68.0 -0.6 57.1 14.3 84 84 D K E -AF 19 100A 62 16,-0.9 16,-1.5 -65,-0.3 2,-0.4 -0.902 54.3-157.2-127.3 157.6 2.7 57.2 12.3 85 85 D L E -AF 18 99A 0 -67,-2.4 -67,-2.8 -2,-0.3 2,-0.6 -0.982 8.6-150.9-134.2 135.2 5.7 55.0 11.7 86 86 D a E -AF 17 98A 1 12,-2.3 11,-3.5 -2,-0.4 12,-1.5 -0.968 31.5-176.1-106.8 117.4 9.1 56.1 10.6 87 87 D V E -AF 16 96A 0 -71,-3.2 -71,-1.5 -2,-0.6 2,-0.6 -0.729 34.6-121.7-118.9 162.0 10.7 53.2 8.6 88 88 D W E -AF 15 95A 35 7,-2.3 7,-1.8 -2,-0.2 3,-0.4 -0.902 26.1-168.3 -95.5 121.2 13.9 52.2 6.8 89 89 D N + 0 0 54 -75,-2.8 -74,-0.1 -2,-0.6 -1,-0.1 0.466 65.4 88.8 -93.6 0.7 12.9 51.4 3.2 90 90 D N S S+ 0 0 94 -76,-0.5 2,-0.3 5,-0.0 -1,-0.2 0.488 91.5 43.9 -76.9 1.1 16.1 49.7 2.0 91 91 D K S S- 0 0 56 -3,-0.4 4,-0.2 4,-0.1 -3,-0.0 -0.971 89.7 -89.6-145.0 156.8 14.8 46.3 3.2 92 92 D T S S+ 0 0 81 -2,-0.3 2,-0.2 2,-0.1 -44,-0.1 -0.960 108.7 29.2-121.2 127.7 11.6 44.2 3.1 93 93 D P S S- 0 0 3 0, 0.0 -45,-0.2 0, 0.0 -44,-0.1 0.470 111.7-104.3 -69.4 159.1 9.5 44.3 5.2 94 94 D N E -e 48 0A 20 -47,-0.8 -45,-2.5 -2,-0.2 2,-0.3 -0.236 34.0-120.5 -57.0 140.6 10.3 47.9 6.1 95 95 D S E -eF 49 88A 1 -7,-1.8 -7,-2.3 -47,-0.2 2,-0.6 -0.608 21.1-123.4 -81.1 143.5 12.2 48.4 9.3 96 96 D I E + F 0 87A 2 -47,-1.7 -9,-0.2 -2,-0.3 -45,-0.2 -0.774 33.8 168.4 -94.9 122.7 10.7 50.4 12.1 97 97 D A E - 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