==== 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 2AK0 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN MII; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.J.CLARK,H.FISCHER,L.DEMPSTER,N.L.DALY,K.J.ROSENGREN, . 23 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 65.2 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 30.4 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 1 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 66 0, 0.0 4,-0.2 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0-119.6 6.4 4.0 6.9 2 2 A a > + 0 0 67 21,-0.2 3,-1.9 1,-0.2 7,-0.4 0.859 360.0 63.0 -81.0 -39.5 4.6 0.6 6.8 3 3 A b T 3 S+ 0 0 16 20,-1.1 -1,-0.2 1,-0.3 6,-0.2 0.778 92.1 65.4 -57.4 -30.1 2.5 1.4 3.7 4 4 A S T 3 S+ 0 0 77 19,-0.6 -1,-0.3 17,-0.1 -2,-0.1 0.711 87.4 86.0 -67.4 -17.8 5.7 1.8 1.6 5 5 A N S <> S- 0 0 90 -3,-1.9 4,-3.4 18,-0.2 5,-0.2 -0.730 79.9-138.7 -88.0 127.5 6.2 -1.9 2.2 6 6 A P H > S+ 0 0 106 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.864 102.5 49.8 -50.7 -44.4 4.4 -4.2 -0.3 7 7 A V H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.941 116.8 39.9 -62.8 -48.8 3.4 -6.7 2.4 8 8 A a H > S+ 0 0 14 -6,-0.3 4,-3.7 1,-0.2 -1,-0.2 0.883 113.5 55.5 -67.6 -39.7 2.0 -4.0 4.7 9 9 A H H < S+ 0 0 74 -4,-3.4 7,-0.2 -7,-0.4 8,-0.2 0.868 106.1 52.0 -60.9 -39.0 0.5 -2.1 1.7 10 10 A L H >< S+ 0 0 139 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.949 117.1 37.4 -63.0 -50.1 -1.4 -5.2 0.7 11 11 A E H 3< S+ 0 0 145 -4,-1.8 3,-0.5 1,-0.3 2,-0.4 0.937 121.8 45.1 -66.9 -47.6 -2.9 -5.7 4.2 12 12 A H T 3X>S+ 0 0 68 -4,-3.7 4,-3.1 1,-0.2 5,-0.7 -0.175 77.8 127.9 -89.6 41.0 -3.3 -2.0 4.7 13 13 A S H <>5S+ 0 0 61 -3,-1.0 4,-1.5 -2,-0.4 -1,-0.2 0.926 79.7 34.8 -63.4 -46.9 -4.8 -1.6 1.2 14 14 A N H 45S+ 0 0 128 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.723 119.5 53.9 -80.1 -22.5 -7.9 0.2 2.4 15 15 A L H 45S+ 0 0 117 -4,-0.2 -2,-0.2 -6,-0.1 -1,-0.1 0.921 125.3 19.7 -76.5 -48.5 -5.9 1.9 5.2 16 16 A b H >X5S+ 0 0 7 -4,-3.1 4,-1.3 -7,-0.2 3,-1.1 0.810 86.0 174.3 -91.1 -36.6 -3.1 3.4 3.0 17 17 A G T 3<< - 0 0 32 -4,-1.5 -1,-0.2 -5,-0.7 -2,-0.1 -0.460 62.8 -45.7 67.4-128.9 -4.9 3.3 -0.3 18 18 A A T 34 S+ 0 0 110 -2,-0.2 -1,-0.2 -4,-0.1 3,-0.1 -0.260 135.3 12.4-134.1 45.1 -2.9 4.9 -3.1 19 19 A G T X4 S+ 0 0 57 -3,-1.1 3,-0.7 1,-0.4 2,-0.2 0.127 92.7 103.7 177.8 -40.6 -1.8 8.2 -1.4 20 20 A G T 3< S- 0 0 44 -4,-1.3 -1,-0.4 1,-0.2 3,-0.2 -0.478 98.1 -0.3 -68.8 130.1 -2.4 8.1 2.3 21 21 A A T 3 S- 0 0 68 -2,-0.2 2,-2.9 1,-0.2 -1,-0.2 0.967 74.2-164.8 55.4 60.6 0.7 7.5 4.4 22 22 A A < 0 0 102 -3,-0.7 -1,-0.2 -19,-0.1 -2,-0.1 -0.234 360.0 360.0 -72.1 53.4 3.1 7.3 1.4 23 23 A G 0 0 25 -2,-2.9 -20,-1.1 -3,-0.2 -19,-0.6 -0.960 360.0 360.0 175.4 360.0 5.8 5.8 3.6