==== 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 ENTEROTOXIN 13-JUN-95 1EHS . COMPND 2 MOLECULE: HEAT-STABLE ENTEROTOXIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.SUKUMAR,J.RIZO,M.WALL,L.A.DREYFUS,Y.M.KUPERSZTOCH, . 48 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 2.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 29.2 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+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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL 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 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 0 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 A S 0 0 178 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.1 -2.1 -18.3 -10.1 2 2 A T + 0 0 136 1,-0.2 2,-0.3 2,-0.1 0, 0.0 0.859 360.0 21.3 -71.7 -40.6 0.4 -16.5 -7.7 3 3 A Q + 0 0 63 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.994 55.9 141.6-131.2 141.1 -2.1 -15.5 -4.9 4 4 A S S > S+ 0 0 103 -2,-0.3 3,-0.6 -3,-0.1 -1,-0.1 0.433 87.5 24.5-137.9 -62.0 -5.5 -16.9 -3.8 5 5 A N T 3 S+ 0 0 156 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.852 117.1 64.3 -73.7 -37.3 -5.9 -17.0 0.1 6 6 A K T 3 S+ 0 0 94 3,-0.1 2,-0.4 4,-0.0 4,-0.2 0.048 84.2 118.5 -69.6 27.4 -3.3 -14.1 0.4 7 7 A K < + 0 0 71 -3,-0.6 -3,-0.0 1,-0.2 0, 0.0 -0.813 66.8 11.9 -99.8 136.8 -5.9 -11.9 -1.6 8 8 A D S S+ 0 0 121 -2,-0.4 -1,-0.2 1,-0.1 0, 0.0 0.985 116.8 59.7 57.2 90.6 -7.5 -8.7 -0.1 9 9 A L S > S+ 0 0 77 -3,-0.1 4,-1.1 39,-0.0 -2,-0.1 -0.387 114.8 41.1 138.8 -53.8 -5.4 -7.9 3.0 10 10 A a H > S+ 0 0 0 -4,-0.2 4,-1.0 2,-0.2 -3,-0.1 0.866 121.7 39.7 -94.9 -51.6 -2.4 -7.7 0.6 11 11 A E H > S+ 0 0 82 -5,-0.2 4,-2.3 2,-0.2 3,-0.3 0.857 112.7 59.1 -50.3 -43.6 -4.4 -5.8 -2.0 12 12 A H H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.917 98.8 57.6 -58.2 -42.8 -5.9 -4.0 1.1 13 13 A Y H X S+ 0 0 65 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.834 108.3 44.6 -43.6 -45.3 -2.3 -2.9 1.9 14 14 A R H < S+ 0 0 80 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.749 104.2 64.1 -76.7 -25.3 -2.2 -1.3 -1.7 15 15 A Q H >X S+ 0 0 90 -4,-2.3 3,-1.3 2,-0.2 4,-1.0 0.906 101.5 50.1 -52.5 -40.2 -5.7 0.1 -0.8 16 16 A I H 3X S+ 0 0 97 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.916 98.4 65.1 -63.1 -42.8 -3.8 2.0 1.9 17 17 A A H 3< S+ 0 0 1 -4,-1.2 19,-0.7 1,-0.2 -1,-0.2 0.561 96.5 61.3 -50.1 -8.5 -1.4 3.0 -1.0 18 18 A K H X> S+ 0 0 94 -3,-1.3 3,-2.2 -4,-0.1 4,-1.6 0.911 100.5 47.5 -79.3 -55.8 -4.6 4.9 -2.2 19 19 A E H 3X S+ 0 0 97 -4,-1.0 4,-0.5 1,-0.3 -2,-0.2 0.625 104.7 66.0 -62.7 -11.3 -5.0 7.2 0.9 20 20 A S H 3< S+ 0 0 8 -4,-1.2 15,-1.4 -5,-0.2 -1,-0.3 0.537 109.7 36.3 -60.4 -21.7 -1.2 7.8 0.3 21 21 A b H <4 S+ 0 0 28 -3,-2.2 -2,-0.2 14,-0.2 3,-0.1 0.684 106.9 57.6-123.1 -37.8 -2.2 9.4 -3.0 22 22 A K H < S+ 0 0 169 -4,-1.6 2,-0.4 1,-0.2 -3,-0.1 0.875 110.3 38.6 -62.5 -46.4 -5.5 11.5 -2.5 23 23 A K S < S- 0 0 126 -4,-0.5 -1,-0.2 1,-0.1 12,-0.1 -0.951 107.2 -12.9-125.4 121.1 -4.2 13.7 0.4 24 24 A G - 0 0 49 -2,-0.4 11,-0.2 -3,-0.1 -1,-0.1 0.461 37.4-155.4 76.1 147.0 -0.7 15.4 1.0 25 25 A F S S+ 0 0 114 8,-0.1 -1,-0.1 9,-0.1 -5,-0.0 0.221 80.2 58.1-146.0 20.3 2.8 14.9 -0.6 26 26 A L S S+ 0 0 159 7,-0.0 7,-0.2 2,-0.0 -2,-0.1 0.517 119.4 17.0-130.8 -7.6 5.5 16.1 1.9 27 27 A G S S+ 0 0 53 5,-0.2 6,-0.2 2,-0.0 -2,-0.1 -0.233 81.4 121.9-150.8 68.2 4.9 13.8 4.9 28 28 A V S S- 0 0 45 4,-2.4 5,-0.2 -8,-0.1 -3,-0.1 0.963 99.4 -11.5 -70.7 -69.8 2.7 10.8 3.8 29 29 A R S S- 0 0 90 -9,-0.1 4,-0.1 9,-0.0 -9,-0.0 0.179 97.6-102.4-123.7 7.7 4.9 7.9 4.7 30 30 A D S S+ 0 0 148 2,-0.2 -3,-0.0 1,-0.1 3,-0.0 0.428 118.1 82.0 50.6 17.3 8.3 9.6 5.6 31 31 A G S S- 0 0 50 7,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.815 113.6-117.6 -57.0 -58.9 9.8 8.7 2.5 32 32 A T S S+ 0 0 71 0, 0.0 -4,-2.4 0, 0.0 2,-0.3 -0.367 85.1 20.2 155.0 -59.6 7.7 12.0 1.6 33 33 A A + 0 0 41 -6,-0.2 5,-0.3 -7,-0.2 -8,-0.1 -0.793 48.5 177.0-147.4 89.0 5.1 10.9 -1.0 34 34 A G >>> + 0 0 2 -2,-0.3 3,-2.2 -14,-0.1 4,-1.6 0.872 26.2 176.0 -59.9 -39.2 4.1 7.2 -1.3 35 35 A A T 345 - 0 0 38 -15,-1.4 -14,-0.2 1,-0.3 -17,-0.1 0.673 66.2 -49.9 52.7 40.4 1.6 8.5 -3.9 36 36 A b T 345S+ 0 0 59 -19,-0.7 -1,-0.3 1,-0.1 -18,-0.1 0.689 142.6 38.8 56.5 33.2 0.1 5.2 -5.2 37 37 A F T <>5S+ 0 0 142 -3,-2.2 4,-2.1 -20,-0.1 5,-0.3 0.190 100.2 64.0-160.0 -44.0 3.4 3.4 -6.0 38 38 A G T <5S+ 0 0 26 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.383 115.9 38.4 -66.9 8.6 6.0 4.2 -3.1 39 39 A A T > S+ 0 0 67 -6,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.876 110.9 40.8 -59.3 -41.5 2.6 -0.4 -3.4 41 41 A I H >< S+ 0 0 94 -4,-2.1 3,-1.2 2,-0.2 4,-0.4 0.919 106.3 62.6 -62.1 -53.8 6.3 -1.5 -3.1 42 42 A M H >4 S+ 0 0 62 -5,-0.3 3,-1.6 1,-0.2 -2,-0.2 0.811 92.5 66.3 -49.0 -36.2 6.4 -1.0 0.7 43 43 A V H >X>S+ 0 0 4 -4,-1.6 3,-1.5 1,-0.2 4,-1.2 0.902 92.8 60.1 -43.3 -52.1 3.7 -3.7 1.0 44 44 A A T <<5S+ 0 0 73 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.549 118.5 30.1 -62.3 -7.7 6.3 -6.3 -0.3 45 45 A A T <45S+ 0 0 98 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 -0.152 118.1 54.3-138.9 51.0 8.5 -5.4 2.8 46 46 A K T <45S- 0 0 139 -3,-1.5 -3,-0.2 0, 0.0 -2,-0.1 0.472 131.6 -37.9-136.0 -59.9 5.9 -4.4 5.5 47 47 A G T <5 0 0 39 -4,-1.2 -3,-0.1 -5,-0.1 -4,-0.1 0.479 360.0 360.0-135.9 -42.4 3.5 -7.4 5.8 48 48 A a < 0 0 61 -5,-0.9 -38,-0.0 -38,-0.1 -5,-0.0 -0.210 360.0 360.0 -73.7 360.0 2.8 -9.0 2.3