==== 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 TOXIN 16-AUG-95 1ECI . COMPND 2 MOLECULE: ECTATOMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ECTATOMMA TUBERCULATUM; . AUTHOR D.E.NOLDE,A.G.SOBOL,K.A.PLUZHNIKOV,A.S.ARSENIEV,E.V.GRISHIN . 71 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 67.6 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 . 2 2.8 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 . 0 0.0 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 . 3 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 50.7 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 0 0 0 0 1 0 0 0 1 0 1 0 1 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 . 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 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 G 0 0 126 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.6 4.6 -13.2 6.5 2 2 A V - 0 0 130 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.257 360.0-126.8 -67.9 154.7 2.7 -13.6 3.3 3 3 A I - 0 0 11 44,-0.0 -1,-0.1 3,-0.0 2,-0.0 -0.899 23.9-136.4-106.0 129.3 -0.7 -12.0 2.7 4 4 A P > - 0 0 67 0, 0.0 4,-2.0 0, 0.0 3,-0.1 -0.258 25.9-101.8 -81.2 170.2 -3.7 -14.2 1.6 5 5 A K H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.911 119.1 57.2 -54.6 -47.3 -6.4 -13.6 -1.0 6 6 A K H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 107.1 46.9 -52.7 -51.1 -9.0 -12.5 1.6 7 7 A I H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.913 107.8 56.6 -60.2 -44.1 -6.8 -9.7 3.0 8 8 A W H X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.887 108.1 48.4 -55.1 -40.8 -6.0 -8.4 -0.6 9 9 A E H < S+ 0 0 74 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.924 112.2 49.1 -62.3 -46.4 -9.8 -8.1 -1.2 10 10 A T H < S+ 0 0 66 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.931 112.7 45.4 -60.2 -49.3 -10.2 -6.2 2.1 11 11 A V H >X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 3,-0.7 0.811 84.2 102.1 -68.2 -31.8 -7.4 -3.7 1.6 12 12 A a H 3X S+ 0 0 26 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.682 86.0 36.4 -21.7 -63.7 -8.3 -2.9 -2.0 13 13 A P H 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.921 118.9 49.1 -65.0 -46.2 -10.1 0.5 -1.4 14 14 A T H <4 S+ 0 0 46 -3,-0.7 4,-0.5 -4,-0.4 -2,-0.2 0.933 117.8 39.6 -59.2 -49.6 -7.8 1.7 1.3 15 15 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.792 97.5 85.6 -70.3 -29.5 -4.6 0.9 -0.6 16 16 A E H X S+ 0 0 90 -4,-1.6 4,-1.6 -5,-0.4 5,-0.4 0.869 86.2 47.1 -43.3 -60.5 -6.0 2.1 -3.9 17 17 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.900 117.6 42.9 -56.0 -45.0 -5.2 5.9 -3.7 18 18 A W H 4 S+ 0 0 13 -4,-0.5 41,-0.3 -3,-0.3 -2,-0.2 0.918 108.0 61.3 -64.0 -44.0 -1.6 5.3 -2.7 19 19 A A H >< S+ 0 0 7 -4,-2.5 3,-0.7 1,-0.2 -1,-0.1 0.930 108.8 37.9 -55.4 -58.8 -1.0 2.5 -5.2 20 20 A K H 3< S+ 0 0 122 -4,-1.6 2,-0.9 1,-0.3 -1,-0.2 0.883 113.2 59.7 -60.7 -39.6 -1.6 4.4 -8.4 21 21 A K T 3< S+ 0 0 114 -4,-1.3 38,-1.2 -5,-0.4 -1,-0.3 -0.216 108.4 57.2 -82.8 47.6 0.1 7.5 -6.8 22 22 A b B < -A 58 0A 14 -2,-0.9 2,-0.3 -3,-0.7 36,-0.2 -0.958 63.1-158.4-160.7 176.2 3.3 5.3 -6.4 23 23 A S > + 0 0 43 34,-1.5 4,-0.5 31,-0.4 34,-0.3 -0.883 37.6 73.5-152.4-175.5 5.8 3.2 -8.3 24 24 A G H > S- 0 0 34 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.238 90.9 -53.9 89.7 178.6 8.5 0.4 -8.0 25 25 A D H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 133.4 49.7 -58.1 -46.1 8.2 -3.4 -7.5 26 26 A I H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.906 108.3 52.4 -64.5 -44.9 6.0 -3.2 -4.4 27 27 A A H X S+ 0 0 6 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.935 111.3 48.0 -54.9 -47.0 3.5 -0.8 -6.0 28 28 A T H X S+ 0 0 89 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.872 110.5 53.6 -60.3 -39.9 3.2 -3.1 -9.0 29 29 A Y H X S+ 0 0 86 -4,-2.0 4,-2.1 2,-0.2 3,-0.2 0.987 109.4 43.8 -60.8 -61.5 2.7 -6.1 -6.6 30 30 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.889 111.6 56.2 -52.6 -44.5 -0.2 -4.7 -4.5 31 31 A K H X S+ 0 0 114 -4,-1.9 4,-2.2 -5,-0.3 5,-0.3 0.938 108.2 47.9 -51.0 -50.3 -1.9 -3.5 -7.7 32 32 A R H X S+ 0 0 148 -4,-1.9 4,-2.2 -3,-0.2 -2,-0.2 0.887 108.9 54.8 -59.8 -41.6 -1.8 -7.1 -9.1 33 33 A E H < S+ 0 0 44 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.976 116.3 33.1 -60.6 -58.6 -3.2 -8.6 -5.9 34 34 A a H < S+ 0 0 37 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.943 121.6 49.3 -62.4 -49.8 -6.4 -6.4 -5.6 35 35 A G H < S+ 0 0 58 -4,-2.2 2,-2.0 -5,-0.3 -3,-0.2 0.953 100.4 64.0 -57.5 -57.3 -6.9 -6.1 -9.4 36 36 A K < 0 0 157 -4,-2.2 -1,-0.2 -5,-0.3 -4,-0.0 -0.505 360.0 360.0 -71.7 82.7 -6.5 -9.9 -10.2 37 37 A L 0 0 134 -2,-2.0 -3,-0.0 -29,-0.0 -4,-0.0 -0.851 360.0 360.0-162.4 360.0 -9.6 -10.9 -8.2 38 !* 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 39 1 B W 0 0 106 0, 0.0 3,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -53.0 -6.2 0.7 11.0 40 2 B S - 0 0 46 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.121 360.0-119.2 -80.8-179.3 -7.4 -2.8 12.1 41 3 B T S > S+ 0 0 111 3,-0.1 4,-0.8 4,-0.0 -1,-0.1 0.884 109.1 12.8 -80.7 -60.9 -5.8 -5.1 14.7 42 4 B I H > S+ 0 0 114 2,-0.1 4,-1.8 3,-0.1 3,-0.1 0.970 130.3 49.0 -78.1 -60.9 -4.9 -8.0 12.4 43 5 B V H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.857 107.8 56.8 -54.0 -42.7 -5.3 -6.4 8.9 44 6 B K H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.971 109.5 43.2 -50.2 -60.6 -3.3 -3.4 9.8 45 7 B L H < S+ 0 0 100 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.803 113.7 54.7 -59.9 -31.6 -0.2 -5.4 10.8 46 8 B T H < S+ 0 0 37 -4,-1.8 4,-0.5 2,-0.1 -1,-0.2 0.977 118.9 26.7 -66.7 -57.9 -0.6 -7.7 7.8 47 9 B I H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-1.0 0.912 105.9 75.7 -76.2 -44.2 -0.6 -5.1 4.9 48 10 B c H 3X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.4 5,-0.2 0.779 89.9 54.5 -42.1 -49.6 1.4 -2.2 6.6 49 11 B P H 3> S+ 0 0 71 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.919 112.4 45.8 -54.5 -44.2 5.0 -3.8 6.2 50 12 B T H <> S+ 0 0 29 -3,-1.0 4,-1.9 -4,-0.5 -2,-0.2 0.934 109.9 54.6 -60.4 -47.1 4.3 -4.2 2.5 51 13 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.852 104.3 54.5 -57.6 -38.0 2.9 -0.6 2.3 52 14 B K H X S+ 0 0 37 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.920 105.8 51.8 -61.5 -45.5 6.2 0.7 3.8 53 15 B S H < S+ 0 0 58 -4,-1.5 4,-0.4 1,-0.2 3,-0.3 0.895 111.4 48.3 -57.5 -41.2 8.3 -1.0 1.1 54 16 B M H >< S+ 0 0 1 -4,-1.9 3,-1.6 1,-0.2 -31,-0.4 0.919 103.0 62.2 -61.9 -44.7 6.0 0.7 -1.5 55 17 B A H >< S+ 0 0 8 -4,-2.3 3,-1.2 1,-0.3 8,-0.3 0.789 83.8 78.9 -54.9 -32.3 6.3 4.1 0.3 56 18 B K T 3< S+ 0 0 158 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.841 111.7 19.4 -46.5 -39.8 10.1 4.0 -0.4 57 19 B K T < S+ 0 0 138 -3,-1.6 -34,-1.5 -4,-0.4 -1,-0.3 -0.515 90.9 136.4-137.8 66.3 9.4 5.1 -4.0 58 20 B b B < -A 22 0A 26 -3,-1.2 -36,-0.3 -36,-0.2 2,-0.2 -0.662 53.6 -96.1-102.6 169.3 6.0 6.7 -4.3 59 21 B E S > S- 0 0 85 -38,-1.2 3,-2.0 -41,-0.3 2,-1.2 -0.472 86.5 -13.2 -86.0 156.2 4.8 9.8 -6.1 60 22 B G T 3 S- 0 0 88 1,-0.2 -2,-0.1 -2,-0.2 -38,-0.0 -0.370 125.5 -46.6 60.1 -92.4 4.3 13.3 -4.6 61 23 B S T >> S+ 0 0 70 -2,-1.2 3,-0.9 -40,-0.1 4,-0.7 -0.073 87.9 136.8-165.1 43.7 4.5 12.4 -0.9 62 24 B I H <> + 0 0 13 -3,-2.0 4,-2.1 -41,-0.3 3,-0.2 0.798 63.0 75.4 -65.8 -30.5 2.2 9.3 -0.5 63 25 B A H 3> S+ 0 0 34 -8,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.867 91.4 56.6 -47.4 -40.9 4.8 7.7 1.7 64 26 B T H <> S+ 0 0 76 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.937 105.6 49.0 -57.7 -49.4 3.7 10.1 4.5 65 27 B M H X S+ 0 0 89 -4,-0.7 4,-1.8 -3,-0.2 5,-0.3 0.906 108.7 53.8 -58.9 -44.8 0.1 8.9 4.2 66 28 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.962 112.0 43.2 -53.3 -55.5 1.1 5.2 4.4 67 29 B K H < S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 107.3 61.9 -60.9 -38.6 3.1 5.7 7.6 68 30 B K H < S+ 0 0 164 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.939 112.6 35.0 -55.7 -51.8 0.3 7.8 9.1 69 31 B K H < S+ 0 0 107 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.957 120.7 55.0 -64.0 -53.2 -2.2 5.0 9.0 70 32 B c S < S- 0 0 11 -4,-2.4 2,-0.3 -5,-0.3 -25,-0.1 0.162 72.1-143.3 -72.7-173.1 0.3 2.3 9.7 71 33 B D 0 0 74 -27,-0.1 -1,-0.1 -26,-0.0 -2,-0.0 -0.884 360.0 360.0-145.0 178.6 2.9 1.7 12.5 72 34 B K 0 0 223 -2,-0.3 -24,-0.0 -5,-0.0 -5,-0.0 -0.951 360.0 360.0-163.7 360.0 6.4 0.4 13.2