==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-JUL-03 1PX9 . COMPND 2 MOLECULE: ERGTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CENTRUROIDES NOXIUS; . AUTHOR K.FRENAL,K.WECKER,G.B.GURROLA,L.D.POSSANI,N.WOLFF, . 42 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 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 . 7 16.7 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 . 1 2.4 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 4.8 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 0 0 1 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 171 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.4 -11.0 -14.1 -13.1 2 2 A R > + 0 0 118 2,-0.1 3,-1.9 4,-0.1 5,-0.1 0.886 360.0 160.7 53.3 46.3 -9.6 -13.7 -9.5 3 3 A D G >>>S+ 0 0 50 1,-0.3 3,-2.1 2,-0.2 5,-1.6 0.910 70.6 64.1 -53.6 -46.4 -11.6 -10.5 -9.0 4 4 A S G 345S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.2 -2,-0.1 0.520 110.1 37.6 -50.9 -16.7 -11.0 -11.1 -5.3 5 5 A a G <45S+ 0 0 13 -3,-1.9 -1,-0.3 18,-0.1 -2,-0.2 0.091 124.6 36.7-128.1 20.3 -7.2 -10.6 -6.0 6 6 A V T <45S- 0 0 45 -3,-2.1 3,-0.2 34,-0.1 -3,-0.2 0.511 135.4 -4.9-131.2 -68.9 -7.4 -7.8 -8.6 7 7 A D T <5S+ 0 0 59 -4,-1.3 2,-1.3 1,-0.1 3,-0.2 0.848 135.1 48.3-101.4 -51.0 -10.2 -5.2 -8.0 8 8 A K S - 0 0 75 -2,-0.3 4,-1.9 15,-0.2 15,-0.1 -0.847 18.1-147.0-166.1 112.5 -1.5 -6.9 1.8 18 18 A Q H > S+ 0 0 165 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.742 94.2 62.7 -61.0 -30.0 -0.5 -10.5 2.3 19 19 A E H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.988 110.7 34.5 -59.2 -66.4 -3.9 -11.9 0.9 20 20 A c H > S+ 0 0 0 -11,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.867 116.7 59.5 -58.3 -40.7 -3.5 -10.5 -2.7 21 21 A Q H X S+ 0 0 66 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.951 111.1 37.7 -45.4 -63.6 0.3 -11.2 -2.4 22 22 A D H X S+ 0 0 88 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.867 115.5 53.7 -68.2 -38.9 -0.1 -14.9 -1.8 23 23 A a H X S+ 0 0 34 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.896 108.3 51.8 -53.1 -46.5 -3.1 -15.2 -4.2 24 24 A d H X>S+ 0 0 1 -4,-2.6 4,-1.3 2,-0.2 5,-1.3 0.786 102.7 57.4 -70.6 -30.3 -0.9 -13.6 -6.9 25 25 A K H <5S+ 0 0 109 -4,-1.6 -1,-0.2 2,-0.2 3,-0.2 0.942 111.9 43.4 -55.1 -50.0 2.0 -16.1 -6.3 26 26 A N H <5S+ 0 0 150 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.913 110.3 53.8 -65.1 -48.0 -0.6 -18.9 -7.1 27 27 A A H <5S- 0 0 28 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.770 112.9-124.7 -51.4 -33.0 -2.0 -16.9 -10.1 28 28 A G T <5S+ 0 0 58 -4,-1.3 -3,-0.2 -3,-0.2 -2,-0.1 0.471 79.3 119.0 90.6 9.5 1.7 -16.8 -11.3 29 29 A H S