==== 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 28-SEP-04 1WQD . COMPND 2 MOLECULE: OMTX2; . SOURCE 2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS; . AUTHOR B.CHAGOT,C.PIMENTEL,L.DAI,J.PIL,J.TYTGAT,T.NAKAJIMA,G.CORZO, . 27 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 59.3 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 . 2 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.7 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 1 1 0 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 95 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 149.9 -1.9 8.1 -1.1 2 2 A P H > + 0 0 99 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.929 360.0 47.0 -69.0 -47.0 -2.7 7.0 -4.7 3 3 A a H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 113.4 48.5 -60.2 -50.3 -0.6 3.8 -4.6 4 4 A Y H > S+ 0 0 73 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.948 113.5 45.6 -56.2 -54.2 -2.0 2.7 -1.2 5 5 A E H X S+ 0 0 134 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.938 111.6 51.7 -56.5 -50.0 -5.7 3.3 -2.2 6 6 A V H < S+ 0 0 109 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.917 116.6 42.1 -53.1 -44.2 -5.2 1.6 -5.6 7 7 A b H >< S+ 0 0 20 -4,-2.5 3,-3.1 -5,-0.2 -2,-0.2 0.993 113.1 50.1 -63.2 -63.7 -3.8 -1.4 -3.7 8 8 A L H >< S+ 0 0 69 -4,-3.6 3,-1.1 1,-0.3 -2,-0.2 0.808 94.6 76.8 -43.4 -37.8 -6.3 -1.3 -0.9 9 9 A Q T 3< S+ 0 0 149 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.816 124.1 0.3 -46.0 -35.7 -8.9 -1.3 -3.6 10 10 A Q T < S+ 0 0 167 -3,-3.1 2,-0.3 -4,-0.5 -1,-0.3 -0.205 122.3 72.3-152.6 50.6 -8.2 -5.0 -4.1 11 11 A H S < S- 0 0 94 -3,-1.1 -4,-0.0 1,-0.2 0, 0.0 -0.962 74.7 -95.4-156.7 170.1 -5.5 -6.0 -1.6 12 12 A G - 0 0 44 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.325 59.5 -62.9 -71.6-152.7 -4.9 -6.7 2.1 13 13 A N S > S- 0 0 101 4,-0.0 4,-1.1 -6,-0.0 5,-0.2 0.004 70.1 -66.0 -83.3-166.2 -3.4 -4.2 4.6 14 14 A V H > S+ 0 0 9 3,-0.2 4,-2.6 2,-0.1 3,-0.4 0.934 110.4 75.2 -45.1 -90.1 0.0 -2.5 4.6 15 15 A K H > S+ 0 0 150 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.335 117.3 11.6 11.9-100.0 2.5 -5.5 5.1 16 16 A E H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.949 127.8 59.7 -60.4 -50.6 2.5 -7.1 1.7 17 17 A b H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.838 104.3 53.2 -46.3 -38.0 0.6 -4.2 0.1 18 18 A E H X>S+ 0 0 72 -4,-2.6 4,-2.1 -3,-0.3 5,-0.7 0.952 107.6 47.8 -64.6 -50.9 3.5 -2.0 1.2 19 19 A E H <5S+ 0 0 175 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.814 115.2 48.1 -60.0 -30.4 6.2 -4.2 -0.5 20 20 A A H <5S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.841 113.8 44.7 -78.8 -35.6 4.0 -4.2 -3.6 21 21 A a H <5S- 0 0 14 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.692 88.6-155.9 -80.6 -20.1 3.5 -0.4 -3.6 22 22 A K T <5 + 0 0 174 -4,-2.1 -3,-0.1 1,-0.2 -4,-0.1 0.830 46.0 137.2 45.6 37.7 7.2 0.1 -2.9 23 23 A H < - 0 0 91 -5,-0.7 2,-3.1 2,-0.0 -1,-0.2 -0.852 45.1-159.2-117.5 94.9 6.2 3.5 -1.4 24 24 A P + 0 0 125 0, 0.0 -5,-0.0 0, 0.0 -6,-0.0 -0.283 41.4 147.3 -70.3 60.9 8.1 4.2 1.9 25 25 A V S S- 0 0 68 -2,-3.1 2,-3.2 1,-0.1 -2,-0.0 -0.025 70.2 -58.3 -82.7-168.5 5.5 6.7 3.0 26 26 A E 0 0 178 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 -0.306 360.0 360.0 -72.4 61.2 4.4 7.5 6.6 27 27 A Y 0 0 194 -2,-3.2 -1,-0.2 -4,-0.1 -13,-0.0 0.916 360.0 360.0 60.7 360.0 3.3 3.9 7.1