==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-AUG-11 2LI3 . COMPND 2 MOLECULE: POTASSIUM CHANNEL TOXIN KAPPA-KTX3.1; . SOURCE 2 ORGANISM_SCIENTIFIC: TITYUS TRIVITTATUS; . AUTHOR A.SAUCEDO-YANEZ,F.DEL RIO-PORTILLA,R.HERNANDEZ-LOPEZ . 30 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 56.7 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 . 2 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.3 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 1 0 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 G 0 0 83 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0-169.1 26.2 28.9 34.0 2 2 A S + 0 0 120 22,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.991 360.0 41.5-130.3 141.3 26.2 26.2 36.7 3 3 A G S S+ 0 0 81 -2,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.414 110.8 49.9 104.2 4.2 24.7 22.6 36.7 4 4 A a S S- 0 0 21 -3,-0.1 22,-0.1 19,-0.1 23,-0.0 -0.849 73.4-131.4-169.2 131.9 25.7 21.8 33.1 5 5 A M >> - 0 0 141 -2,-0.2 4,-1.8 1,-0.1 3,-1.1 -0.628 29.9-116.5 -82.8 147.9 29.0 22.0 31.0 6 6 A P H 3> S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.834 115.0 57.1 -53.0 -37.8 28.8 23.6 27.5 7 7 A E H 3> S+ 0 0 180 2,-0.2 4,-1.1 1,-0.2 5,-0.0 0.794 106.0 50.0 -65.6 -31.2 29.8 20.3 25.8 8 8 A Y H <> S+ 0 0 127 -3,-1.1 4,-0.6 2,-0.1 5,-0.3 0.923 113.6 46.5 -70.6 -43.5 26.7 18.6 27.4 9 9 A b H >X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 3,-1.0 0.973 119.0 35.7 -63.1 -59.0 24.4 21.4 26.2 10 10 A A H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.801 105.2 69.8 -74.5 -25.1 25.6 21.7 22.5 11 11 A G H 3< S+ 0 0 70 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.693 123.7 8.0 -64.1 -19.8 26.2 17.9 22.0 12 12 A Q H << S+ 0 0 132 -3,-1.0 2,-0.4 -4,-0.6 -2,-0.2 0.599 110.7 81.5-132.7 -30.5 22.4 17.2 22.1 13 13 A c S < S- 0 0 17 -4,-2.6 -1,-0.1 -5,-0.3 6,-0.1 -0.721 79.7-117.1 -90.4 131.5 20.4 20.5 22.2 14 14 A R >> - 0 0 135 -2,-0.4 5,-0.7 15,-0.1 4,-0.6 -0.210 58.4 -15.8 -73.9 155.0 19.9 22.0 18.7 15 15 A G T 45S- 0 0 57 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 -0.451 93.3 -67.5 77.1-128.2 21.0 25.3 17.0 16 16 A K T >5S+ 0 0 164 -2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.515 122.2 57.2-137.7 -32.3 22.2 28.2 19.2 17 17 A V H >5S+ 0 0 98 2,-0.2 4,-1.8 3,-0.2 5,-0.2 0.929 109.8 45.4 -70.0 -47.1 19.1 29.4 21.2 18 18 A S H X5S+ 0 0 4 -4,-0.6 4,-1.6 2,-0.2 3,-0.2 0.939 115.3 49.2 -63.4 -41.6 18.4 26.0 22.9 19 19 A Q H >