==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 02-AUG-05 2AJW . COMPND 2 MOLECULE: ALPHA-CONOTOXIN MII; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.J.CLARK,H.FISCHER,L.DEMPSTER,N.L.DALY,K.J.ROSENGREN, . 22 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 68.2 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.5 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 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 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 G > 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -31.9 4.9 4.7 6.7 2 2 A a G > + 0 0 12 19,-1.2 3,-1.7 1,-0.3 7,-0.4 0.852 360.0 67.2 -52.1 -41.9 2.9 1.5 6.2 3 3 A b G 3 S+ 0 0 51 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.697 84.1 73.4 -56.2 -21.3 3.7 1.6 2.4 4 4 A S G < S+ 0 0 97 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.878 89.6 66.6 -61.9 -36.8 7.4 1.0 3.3 5 5 A N S <> S- 0 0 98 -3,-1.7 4,-2.6 -4,-0.4 5,-0.2 -0.765 78.3-147.3 -89.7 123.6 6.5 -2.6 4.1 6 6 A P H > S+ 0 0 108 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.890 101.8 46.6 -54.3 -42.7 5.4 -4.6 1.0 7 7 A V H > S+ 0 0 98 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.940 110.8 51.5 -65.2 -48.7 3.0 -6.6 3.1 8 8 A a H > S+ 0 0 27 1,-0.2 4,-2.9 -6,-0.2 8,-0.3 0.882 105.2 57.1 -55.8 -42.8 1.6 -3.5 4.9 9 9 A H H < S+ 0 0 88 -4,-2.6 -1,-0.2 -7,-0.4 7,-0.2 0.904 118.6 30.7 -56.6 -45.9 0.9 -1.9 1.5 10 10 A L H >< S+ 0 0 134 -4,-1.4 3,-1.2 -3,-0.3 -2,-0.2 0.934 122.4 47.7 -79.0 -50.9 -1.3 -4.7 0.4 11 11 A E H 3< S+ 0 0 129 -4,-3.6 3,-0.2 1,-0.3 -3,-0.2 0.864 123.5 35.5 -57.8 -39.4 -2.7 -5.8 3.8 12 12 A H T >X S+ 0 0 61 -4,-2.9 4,-2.7 -5,-0.4 3,-1.1 -0.400 70.2 146.9-114.2 53.9 -3.4 -2.2 4.6 13 13 A S T <4 S+ 0 0 61 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.783 70.1 66.0 -58.8 -26.5 -4.5 -1.0 1.2 14 14 A N T >4>S+ 0 0 113 -3,-0.2 5,-0.9 1,-0.2 3,-0.5 0.878 110.0 35.6 -63.2 -37.3 -6.9 1.3 3.0 15 15 A L G X>5S+ 0 0 60 -3,-1.1 6,-3.0 1,-0.2 3,-1.2 0.942 118.8 49.2 -79.7 -51.6 -3.9 3.2 4.5 16 16 A b G 3<5S+ 0 0 18 -4,-2.7 -1,-0.2 -8,-0.3 -2,-0.2 -0.124 118.1 43.3 -81.1 40.3 -1.7 2.8 1.4 17 17 A G G <45S+ 0 0 66 -2,-0.9 -1,-0.3 -3,-0.5 -2,-0.1 0.088 134.4 1.1-172.4 33.2 -4.5 4.1 -0.8 18 18 A G T <45S+ 0 0 70 -3,-1.2 -3,-0.2 0, 0.0 -2,-0.1 0.010 120.5 60.9 171.9 -47.0 -6.1 7.0 1.1 19 19 A A S <