==== 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 1WQE . COMPND 2 MOLECULE: OMTX3; . SOURCE 2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS; . AUTHOR B.CHAGOT,C.PIMENTEL,L.DAI,J.PIL,J.TYTGAT,T.NAKAJIMA,G.CORZO, . 23 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 73.9 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.3 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 N 0 0 160 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.8 -3.8 -5.1 -6.7 2 2 A D > - 0 0 105 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.707 360.0-132.4 -94.0 143.5 -4.3 -5.9 -3.0 3 3 A P H > S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.866 106.1 55.2 -59.1 -37.1 -6.9 -3.9 -0.9 4 4 A a H >> S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 3,-0.8 0.996 112.7 36.8 -58.8 -71.0 -4.3 -3.5 1.8 5 5 A E H 3> S+ 0 0 33 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.824 118.5 55.4 -52.0 -31.1 -1.6 -1.9 -0.3 6 6 A E H 3X S+ 0 0 80 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.875 104.9 50.8 -70.2 -38.1 -4.5 -0.1 -2.0 7 7 A V H X>S+ 0 0 34 -4,-2.2 4,-3.6 2,-0.2 3,-1.7 0.993 115.1 41.7 -66.0 -63.8 -2.3 2.6 2.1 9 9 A I H 3<5S+ 0 0 63 -4,-2.5 4,-0.2 1,-0.3 -2,-0.2 0.878 115.9 52.0 -51.9 -40.0 -1.6 4.2 -1.2 10 10 A Q H 3<5S+ 0 0 144 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.699 121.2 34.2 -70.4 -18.7 -5.1 5.5 -1.3 11 11 A H H <<5S+ 0 0 157 -3,-1.7 -2,-0.2 -4,-0.7 -3,-0.2 0.866 144.6 2.1 -99.5 -57.8 -4.6 6.9 2.2 12 12 A T T <5S- 0 0 104 -4,-3.6 -3,-0.3 -5,-0.1 -2,-0.1 0.459 84.2-132.4-109.7 -7.5 -0.9 8.0 2.4 13 13 A G < + 0 0 42 -5,-1.5 2,-1.4 -4,-0.2 -4,-0.3 0.693 58.4 144.5 61.9 16.0 0.0 7.2 -1.2 14 14 A D > + 0 0 55 -6,-0.4 4,-2.4 1,-0.2 5,-0.3 -0.663 18.5 169.3 -90.8 83.6 3.1 5.6 0.3 15 15 A V H > S+ 0 0 55 -2,-1.4 4,-3.5 1,-0.2 3,-0.2 0.988 76.9 43.7 -56.8 -70.3 3.6 2.7 -2.0 16 16 A K H > S+ 0 0 167 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.781 112.3 60.4 -48.9 -27.5 7.0 1.4 -0.9 17 17 A A H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.984 113.9 30.2 -66.5 -58.3 5.7 2.0 2.6 18 18 A b H X>S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 5,-0.6 0.810 110.3 72.7 -70.2 -27.8 2.8 -0.5 2.4 19 19 A E H X5S+ 0 0 93 -4,-3.5 4,-0.9 -5,-0.3 -1,-0.2 0.900 113.0 25.1 -50.8 -45.6 4.8 -2.5 -0.1 20 20 A E H <5S+ 0 0 152 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.819 121.2 56.1 -88.6 -36.8 7.0 -3.6 2.8 21 21 A A H <5S+ 0 0 86 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.715 126.1 23.7 -68.3 -20.7 4.4 -3.2 5.6 22 22 A a H <5 0 0 44 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.583 360.0 360.0-116.7 -21.9 2.1 -5.5 3.6 23 23 A Q << 0 0 219 -4,-0.9 -1,-0.1 -5,-0.6 -2,-0.1 -0.387 360.0 360.0 63.2 360.0 4.6 -7.5 1.6