==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-JUL-00 1FD7 . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN B CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.FAN,E.A.MERRITT,J.PICKENS,M.AHN,W.G.J.HOL . 1030 10 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 741 71.9 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 . 323 31.4 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 . 4 0.4 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 . 49 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 19.2 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 6 4 0 0 0 0 0 0 0 0 0 1 2 3 3 1 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 17 19 9 5 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 52 0, 0.0 138,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 39.0 -21.4 -3.1 17.2 2 2 D P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.240 360.0-158.6 -65.3 147.0 -20.0 -5.0 14.2 3 3 D Q S S+ 0 0 64 1,-0.1 2,-0.3 140,-0.0 149,-0.1 0.468 71.3 31.2-107.9 -6.1 -18.7 -8.6 14.9 4 4 D T S > S- 0 0 71 1,-0.1 4,-2.3 147,-0.0 5,-0.2 -0.981 80.6-111.2-146.8 161.5 -16.4 -9.0 11.9 5 5 D I H > S+ 0 0 8 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.879 117.1 55.6 -65.6 -33.4 -14.2 -6.9 9.7 6 6 D T H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 108.3 47.0 -66.0 -40.0 -16.6 -7.4 6.7 7 7 D E H > S+ 0 0 93 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.940 115.0 47.2 -64.7 -43.8 -19.6 -6.1 8.7 8 8 D L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.957 111.3 50.3 -59.1 -51.5 -17.6 -3.1 9.9 9 9 D a H >< S+ 0 0 3 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.869 103.2 60.7 -59.7 -38.8 -16.2 -2.4 6.4 10 10 D S H 3< S+ 0 0 92 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.636 89.3 71.0 -65.3 -13.3 -19.7 -2.5 4.9 11 11 D E T << S+ 0 0 86 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.3 0.594 95.2 68.0 -79.3 -8.0 -20.9 0.4 7.1 12 12 D Y S X S- 0 0 52 -3,-1.8 3,-0.5 -4,-0.2 2,-0.2 -0.854 78.2-123.9-116.3 152.8 -18.7 2.8 5.1 13 13 D R T 3 S+ 0 0 217 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.521 91.0 26.2 -83.1 158.1 -18.7 4.2 1.5 14 14 D N T 3 S+ 0 0 82 1,-0.2 75,-2.6 -2,-0.2 76,-0.6 0.822 96.2 118.9 60.2 35.2 -15.7 3.8 -0.8 15 15 D T E < +A 88 0A 26 -3,-0.5 2,-0.3 73,-0.3 -1,-0.2 -0.900 35.4 175.9-127.0 155.1 -14.4 0.7 0.9 16 16 D Q E -A 87 0A 81 71,-1.6 71,-2.5 -2,-0.3 2,-0.5 -0.941 30.7-114.8-148.8 158.4 -13.8 -2.9 -0.1 17 17 D I E -A 86 0A 44 -2,-0.3 2,-0.5 69,-0.2 69,-0.2 -0.887 21.3-159.2 -91.3 134.9 -12.4 -5.9 1.6 18 18 D Y E -A 85 0A 49 67,-3.4 67,-1.9 -2,-0.5 2,-1.1 -0.951 9.4-148.1-111.3 117.7 -9.1 -7.4 0.4 19 19 D T E +A 84 0A 92 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.679 29.0 164.7 -82.3 103.4 -8.5 -11.0 1.4 20 20 D I E - 0 0 24 63,-1.9 -1,-0.2 -2,-1.1 64,-0.2 0.865 11.2-179.4 -87.5 -41.2 -4.7 -11.0 1.7 21 21 D N E + 0 0 95 62,-1.9 2,-0.3 61,-0.1 62,-0.2 0.889 53.5 86.0 33.7 65.0 -4.1 -14.2 3.6 22 22 D D E S-A 82 0A 26 60,-1.6 60,-2.7 58,-0.1 -1,-0.1 -0.915 81.2 -93.6-173.8 163.3 -0.3 -13.6 3.6 23 23 D K - 0 0 68 58,-0.3 20,-0.4 -2,-0.3 2,-0.2 -0.316 53.1 -86.1 -84.2 167.6 2.4 -11.9 5.5 24 24 D I - 0 0 2 56,-0.4 18,-0.2 51,-0.2 3,-0.1 -0.563 31.5-162.8 -72.9 136.6 3.7 -8.4 4.6 25 25 D L S S+ 0 0 43 16,-2.7 494,-2.7 1,-0.3 2,-0.3 0.921 72.6 11.6 -86.2 -52.4 6.4 -8.4 1.9 26 26 D S E -BC 41 518A 15 15,-1.2 15,-1.8 492,-0.2 2,-0.4 -0.974 58.1-160.2-131.6 153.3 7.7 -4.8 2.5 27 27 D Y E -BC 40 517A 0 490,-2.5 490,-2.3 -2,-0.3 2,-0.4 -0.989 11.6-177.0-130.1 125.4 7.2 -2.1 5.2 28 28 D T E -BC 39 516A 9 11,-2.3 11,-2.1 -2,-0.4 2,-0.4 -0.987 1.2-175.0-128.2 134.0 8.1 1.6 4.5 29 29 D E E -BC 38 515A 3 486,-2.7 486,-2.4 -2,-0.4 2,-0.4 -0.999 3.4-166.0-134.5 133.4 7.9 4.4 7.1 30 30 D S E +BC 37 514A 4 7,-2.5 7,-0.6 -2,-0.4 484,-0.3 -0.963 22.8 177.1-125.2 141.6 8.3 8.1 6.6 31 31 D M + 0 0 8 482,-3.2 5,-0.2 -2,-0.4 483,-0.2 0.190 45.6 130.1-117.6 10.3 8.9 10.9 9.0 32 32 D A S > S- 0 0 0 481,-0.8 3,-1.9 3,-0.4 2,-0.1 -0.336 73.6 -89.0 -68.8 139.5 9.3 13.5 6.2 33 33 D G T 3 S+ 0 0 18 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.372 111.1 7.7 -60.7 130.0 7.1 16.6 6.7 34 34 D K T 3 S+ 0 0 149 -2,-0.1 -1,-0.3 -3,-0.1 18,-0.1 0.392 122.0 72.8 81.9 -1.3 3.6 16.2 5.2 35 35 D R < + 0 0 66 -3,-1.9 2,-1.7 16,-0.1 -3,-0.4 -0.172 52.9 149.3-129.8 39.6 4.3 12.6 4.4 36 36 D E + 0 0 8 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.625 42.4 114.3 -75.8 89.2 4.1 11.1 7.9 37 37 D M E -B 30 0A 3 -2,-1.7 -7,-2.5 -7,-0.6 2,-0.4 -0.912 61.2-123.0-151.2 176.0 2.9 7.7 6.8 38 38 D V E -BD 29 50A 0 12,-1.1 12,-2.0 -2,-0.3 2,-0.4 -0.978 17.3-164.6-128.6 137.6 3.4 4.0 6.3 39 39 D I E -BD 28 49A 1 -11,-2.1 -11,-2.3 -2,-0.4 2,-0.3 -0.991 8.5-174.2-117.3 132.5 3.3 2.0 3.0 40 40 D I E -BD 27 48A 1 8,-2.6 8,-2.7 -2,-0.4 2,-0.3 -0.934 1.5-168.5-127.8 150.2 3.0 -1.8 3.0 41 41 D T E -BD 26 47A 28 -15,-1.8 -16,-2.7 -2,-0.3 -15,-1.2 -0.907 6.8-151.3-131.9 161.7 3.2 -4.2 0.0 42 42 D F > - 0 0 4 4,-1.7 3,-2.7 -2,-0.3 -18,-0.1 -0.919 35.6-104.8-126.6 159.8 2.4 -7.9 -0.5 43 43 D K T 3 S+ 0 0 157 -20,-0.4 -19,-0.1 1,-0.3 -21,-0.0 0.670 115.7 72.1 -64.7 -15.3 3.9 -10.5 -3.0 44 44 D S T 3 S- 0 0 83 2,-0.1 -1,-0.3 -24,-0.1 3,-0.1 0.568 117.3-111.6 -65.9 -19.1 0.6 -10.2 -5.0 45 45 D G S < S+ 0 0 59 -3,-2.7 2,-0.2 1,-0.3 -2,-0.2 0.319 73.1 137.2 99.9 -5.9 1.8 -6.7 -6.0 46 46 D E - 0 0 81 -4,-0.1 -4,-1.7 47,-0.0 2,-0.4 -0.506 35.8-161.2 -80.4 139.7 -0.8 -4.8 -4.0 47 47 D T E -D 41 0A 27 -6,-0.2 47,-0.7 -2,-0.2 2,-0.3 -0.959 9.1-178.5-119.5 138.8 0.3 -1.8 -2.1 48 48 D F E -De 40 94A 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.3 -0.961 6.7-158.0-133.1 158.4 -1.6 -0.1 0.8 49 49 D Q E -De 39 95A 9 45,-2.4 47,-2.7 -2,-0.3 2,-0.5 -0.899 21.8-134.7-130.2 168.9 -1.0 3.0 3.0 50 50 D V E -D 38 0A 1 -12,-2.0 -12,-1.1 -2,-0.3 47,-0.1 -0.990 49.2-118.7-108.8 124.1 -2.0 4.4 6.4 51 51 D E - 0 0 20 -2,-0.5 3,-0.1 45,-0.2 -16,-0.1 -0.267 20.6 -99.7 -69.5 151.9 -2.8 8.0 5.5 52 52 D V - 0 0 35 -18,-0.1 -15,-0.1 1,-0.1 -1,-0.1 -0.500 56.1 -97.7 -58.8 133.0 -1.0 11.1 6.8 53 53 D P + 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 66.2 146.0 -59.0 135.3 -3.4 12.4 9.5 54 54 D G > - 0 0 24 -3,-0.1 3,-2.2 4,-0.1 -3,-0.0 -0.863 61.3 -61.5-153.1-166.0 -5.6 15.2 8.1 55 55 D S T 3 S+ 0 0 130 1,-0.3 -1,-0.0 -2,-0.3 0, 0.0 0.755 119.8 66.5 -62.2 -24.3 -8.8 17.1 8.0 56 56 D Q T 3 S+ 0 0 92 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.532 92.0 78.7 -72.6 -13.2 -10.7 13.9 6.8 57 57 D H S < S- 0 0 20 -3,-2.2 2,-0.2 79,-0.0 79,-0.1 -0.817 74.7-139.4 -97.6 141.4 -10.0 12.3 10.2 58 58 D I > - 0 0 69 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.588 33.5-103.2 -94.3 165.4 -11.9 13.1 13.4 59 59 D D G >> S+ 0 0 138 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.855 119.3 64.3 -65.1 -25.6 -10.1 13.5 16.8 60 60 D S G 34 S+ 0 0 59 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.641 98.9 57.0 -64.9 -15.7 -11.1 10.0 17.9 61 61 D Q G <> S+ 0 0 11 -3,-2.4 4,-2.6 2,-0.1 -1,-0.3 0.594 83.5 84.1 -89.6 -14.0 -9.1 8.6 15.0 62 62 D K H <> S+ 0 0 64 -3,-1.5 4,-1.8 -4,-0.4 5,-0.2 0.951 96.8 36.9 -58.6 -49.7 -5.8 10.2 16.0 63 63 D K H X S+ 0 0 104 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.857 116.2 56.3 -69.9 -31.1 -4.7 7.5 18.5 64 64 D A H > S+ 0 0 11 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.874 104.2 51.8 -68.8 -36.0 -6.2 4.8 16.2 65 65 D I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.943 111.8 47.2 -63.5 -45.4 -4.1 5.9 13.2 66 66 D E H X S+ 0 0 37 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.914 111.5 51.5 -62.5 -42.1 -1.0 5.7 15.5 67 67 D R H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 106.8 53.3 -59.7 -46.1 -2.1 2.2 16.7 68 68 D M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.896 108.5 49.0 -58.2 -44.3 -2.6 0.9 13.1 69 69 D K H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.913 110.7 51.8 -64.7 -37.0 0.9 1.9 12.1 70 70 D D H X S+ 0 0 47 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.915 109.4 49.9 -58.6 -48.4 2.2 0.2 15.3 71 71 D T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.905 108.6 51.8 -58.9 -41.7 0.3 -3.0 14.4 72 72 D L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.870 109.0 51.0 -64.9 -39.6 1.7 -3.0 10.8 73 73 D R H X S+ 0 0 29 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.959 115.0 40.2 -62.7 -47.8 5.2 -2.7 12.1 74 74 D I H X S+ 0 0 49 -4,-2.3 4,-1.9 1,-0.2 6,-0.3 0.868 114.3 54.7 -71.7 -32.0 5.0 -5.6 14.5 75 75 D T H X>S+ 0 0 0 -4,-2.3 5,-1.8 -5,-0.3 4,-0.7 0.925 110.8 45.6 -61.3 -47.3 3.0 -7.6 12.1 76 76 D Y H ><5S+ 0 0 12 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.940 113.6 48.6 -62.9 -46.5 5.7 -7.2 9.5 77 77 D L H 3<5S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.779 114.1 45.5 -65.7 -26.8 8.5 -8.0 11.9 78 78 D T H 3<5S- 0 0 64 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.534 105.7-125.4 -95.9 -0.6 6.8 -11.2 13.2 79 79 D E T <<5 + 0 0 97 -3,-0.9 2,-0.2 -4,-0.7 -3,-0.2 0.788 47.3 173.7 59.2 31.0 5.9 -12.4 9.7 80 80 D T < - 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