==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-AUG-12 2LXG . COMPND 2 MOLECULE: MU-CONOTOXIN KIIIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.K.KHOO,R.S.NORTON . 16 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 31.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 25.0 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+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 a 0 0 127 0, 0.0 8,-0.1 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0-171.2 1.8 7.0 -3.7 2 2 A b - 0 0 37 7,-0.2 2,-0.4 1,-0.1 11,-0.0 0.041 360.0 -90.2 -72.8-169.2 -0.7 4.1 -3.5 3 3 A N > - 0 0 81 1,-0.1 3,-1.6 3,-0.0 7,-0.3 -0.888 15.7-140.5-110.2 136.7 -3.4 4.0 -0.8 4 4 A c T 3 S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.579 94.0 83.0 -69.5 -4.3 -2.9 2.2 2.5 5 5 A S T 3 S+ 0 0 110 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.590 87.3 61.8 -75.8 -6.1 -6.5 0.9 2.2 6 6 A S S <> S- 0 0 55 -3,-1.6 4,-1.8 1,-0.1 3,-0.3 -0.967 76.7-141.0-123.6 131.9 -5.2 -1.9 -0.1 7 7 A K H > S+ 0 0 133 -2,-0.4 4,-2.0 1,-0.2 5,-0.3 0.891 104.3 61.7 -55.9 -36.3 -2.7 -4.6 1.0 8 8 A W H > S+ 0 0 139 2,-0.2 4,-5.1 1,-0.2 5,-0.3 0.958 102.4 49.9 -56.0 -49.2 -1.1 -4.3 -2.4 9 9 A b H > S+ 0 0 0 -3,-0.3 4,-0.8 -6,-0.3 6,-0.3 0.965 111.6 47.7 -54.2 -52.7 -0.2 -0.7 -1.7 10 10 A R H < S+ 0 0 109 -4,-1.8 -1,-0.3 -7,-0.3 -2,-0.2 0.815 122.8 36.2 -60.1 -28.2 1.3 -1.6 1.7 11 11 A D H < S+ 0 0 106 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.868 120.4 43.6 -93.4 -43.1 3.2 -4.4 -0.1 12 12 A H H < S+ 0 0 135 -4,-5.1 2,-0.3 -5,-0.3 -2,-0.2 0.363 124.4 33.7 -84.3 9.4 4.1 -2.8 -3.4 13 13 A S < - 0 0 19 -4,-0.8 3,-0.4 -5,-0.3 -1,-0.1 -0.982 60.8-147.7-160.3 147.0 5.1 0.4 -1.7 14 14 A R S S+ 0 0 229 -2,-0.3 -4,-0.1 1,-0.2 -5,-0.0 0.175 72.4 105.7-102.7 19.0 6.7 1.6 1.6 15 15 A a 0 0 84 -6,-0.3 -1,-0.2 1,-0.2 -5,-0.1 0.696 360.0 360.0 -71.3 -14.6 4.7 4.8 1.7 16 16 A c 0 0 95 -3,-0.4 -1,-0.2 -7,-0.2 -2,-0.1 0.710 360.0 360.0 -92.5 360.0 2.6 3.2 4.5