==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-SEP-04 1WQC . COMPND 2 MOLECULE: OMTX1; . SOURCE 2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS; . AUTHOR B.CHAGOT,C.PIMENTEL,L.DAI,J.PIL,J.TYTGAT,T.NAKAJIMA,G.CORZO, . 26 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 57.7 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 . 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 . 1 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 50.0 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+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 1 0 0 0 0 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 D > 0 0 184 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -60.2 -7.4 -4.8 -3.6 2 2 A P H > + 0 0 93 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.859 360.0 64.2 -71.4 -35.8 -8.7 -3.8 -0.2 3 3 A a H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.973 109.4 35.9 -50.0 -68.1 -5.2 -3.4 1.3 4 4 A Y H > S+ 0 0 50 1,-0.2 4,-3.5 2,-0.2 3,-0.2 0.943 115.6 56.4 -51.4 -53.4 -4.2 -0.5 -0.9 5 5 A E H X S+ 0 0 118 -4,-1.6 4,-2.3 1,-0.3 5,-0.3 0.885 106.0 51.6 -46.1 -45.4 -7.8 0.9 -0.8 6 6 A V H X S+ 0 0 69 -4,-3.2 4,-3.2 -3,-0.2 -1,-0.3 0.928 113.2 43.9 -59.3 -45.5 -7.5 0.9 3.0 7 7 A b H X S+ 0 0 10 -4,-2.1 4,-0.7 -3,-0.2 6,-0.3 0.878 108.4 59.8 -66.0 -38.3 -4.2 2.8 2.8 8 8 A L H < S+ 0 0 90 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.907 119.8 26.7 -56.4 -45.0 -5.7 5.1 0.1 9 9 A Q H < S+ 0 0 132 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.949 128.3 41.6 -83.2 -57.6 -8.4 6.2 2.5 10 10 A Q H < S- 0 0 145 -4,-3.2 2,-0.3 -5,-0.3 -2,-0.2 0.330 134.9 -2.5 -72.5 8.7 -6.7 5.7 5.9 11 11 A H < - 0 0 127 -4,-0.7 0, 0.0 -5,-0.2 0, 0.0 -0.942 67.7-111.8-172.1-168.7 -3.5 7.2 4.3 12 12 A G + 0 0 66 -2,-0.3 -4,-0.2 0, 0.0 2,-0.1 -0.260 61.8 128.2-143.4 50.0 -2.0 8.5 1.1 13 13 A N + 0 0 55 -6,-0.3 -2,-0.1 -9,-0.2 -6,-0.0 -0.448 25.0 171.3-101.4 176.7 0.7 6.0 0.1 14 14 A V S > S+ 0 0 81 -2,-0.1 4,-2.7 -7,-0.0 5,-0.2 0.175 78.7 13.0-144.7 -89.6 1.4 4.1 -3.1 15 15 A K H > S+ 0 0 145 3,-0.2 4,-2.5 2,-0.2 5,-0.4 0.825 126.4 58.9 -69.8 -30.5 4.6 2.0 -3.6 16 16 A E H > S+ 0 0 132 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.978 117.7 28.0 -61.4 -58.7 5.2 2.2 0.1 17 17 A b H > S+ 0 0 25 2,-0.2 4,-1.8 3,-0.2 -2,-0.2 0.918 122.0 53.7 -70.1 -44.8 1.9 0.6 1.1 18 18 A E H X S+ 0 0 97 -4,-2.7 4,-0.7 2,-0.2 -3,-0.2 0.946 119.2 34.1 -54.4 -52.2 1.6 -1.4 -2.0 19 19 A E H >X S+ 0 0 131 -4,-2.5 4,-1.2 -5,-0.2 3,-0.7 0.887 118.9 51.8 -70.6 -41.6 5.1 -3.0 -1.6 20 20 A A H 3< S+ 0 0 55 -4,-2.6 5,-0.3 -5,-0.4 -1,-0.2 0.655 97.2 70.3 -70.8 -15.0 4.8 -3.0 2.2 21 21 A a H 3< S+ 0 0 65 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 109.5 32.1 -69.0 -36.6 1.5 -4.8 1.9 22 22 A K H << S+ 0 0 171 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.647 106.7 90.0 -92.8 -19.4 3.2 -7.9 0.7 23 23 A H S < S- 0 0 141 -4,-1.2 2,-1.4 -5,-0.1 -3,-0.0 -0.474 89.5-107.9 -79.0 150.2 6.4 -7.3 2.8 24 24 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.616 38.7-146.7 -81.9 89.2 6.7 -8.7 6.3 25 25 A V 0 0 129 -2,-1.4 -4,-0.0 -5,-0.3 -5,-0.0 -0.138 360.0 360.0 -53.6 148.1 6.3 -5.6 8.4 26 26 A E 0 0 241 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.690 360.0 360.0 -90.0 360.0 8.3 -5.5 11.7