==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-JUN-13 4LFS . COMPND 2 MOLECULE: POTASSIUM CHANNEL TOXIN SHK; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.DANG,T.KUBOTA,K.MANDAL,F.BEZANILLA,S.B.H.KENT . 35 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 57.1 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 . 2 5.7 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 . 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 . 2 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 8.6 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 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 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 . 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 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 R 0 0 222 0, 0.0 2,-0.3 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 161.8 -10.9 -29.8 -0.3 2 2 A S - 0 0 80 1,-0.1 2,-1.9 2,-0.1 27,-0.1 -0.573 360.0-120.8 -79.9 142.8 -7.9 -28.8 1.8 3 3 A a S S+ 0 0 50 -2,-0.3 2,-0.3 26,-0.1 -1,-0.1 -0.524 76.2 101.1 -84.9 75.2 -7.1 -25.1 2.1 4 4 A I S S- 0 0 89 -2,-1.9 25,-0.6 26,-0.0 2,-0.2 -0.973 76.5-105.8-145.8 153.2 -3.6 -25.2 0.7 5 5 A D B -A 28 0A 37 -2,-0.3 23,-0.2 23,-0.2 22,-0.1 -0.593 23.3-162.3 -72.8 149.0 -1.9 -24.4 -2.6 6 6 A T S S+ 0 0 81 21,-2.6 22,-0.2 -2,-0.2 -1,-0.1 0.162 73.0 50.8-124.4 14.1 -1.1 -27.6 -4.6 7 7 A I S S- 0 0 42 20,-0.9 5,-0.1 0, 0.0 -2,-0.0 -0.933 112.0 -71.5-134.4 160.8 1.4 -26.0 -7.0 8 8 A P > - 0 0 94 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.244 48.1-126.6 -53.7 134.1 4.4 -23.8 -6.0 9 9 A K G > S+ 0 0 157 1,-0.3 3,-1.5 2,-0.2 -3,-0.0 0.692 102.8 73.9 -69.4 -16.8 2.8 -20.5 -4.9 10 10 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.751 96.8 53.1 -62.1 -20.5 4.9 -18.4 -7.2 11 11 A R G < S+ 0 0 155 -3,-2.4 2,-1.5 1,-0.2 -1,-0.3 0.500 85.7 88.0 -89.7 -4.6 2.6 -19.8 -10.0 12 12 A b < + 0 0 8 -3,-1.5 -1,-0.2 -4,-0.3 2,-0.1 -0.561 68.8 169.0 -91.7 70.5 -0.5 -18.7 -8.0 13 13 A T > - 0 0 59 -2,-1.5 4,-2.8 1,-0.1 5,-0.2 -0.357 51.2-111.3 -85.2 163.1 -0.4 -15.2 -9.6 14 14 A A H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 119.3 55.1 -58.0 -39.2 -3.1 -12.5 -9.5 15 15 A F H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 110.3 44.3 -60.7 -47.8 -3.7 -13.1 -13.2 16 16 A Q H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 8,-0.3 0.915 113.4 50.4 -65.6 -42.5 -4.4 -16.8 -12.6 17 17 A c H < S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.913 115.9 42.1 -61.9 -41.4 -6.6 -16.2 -9.6 18 18 A K H < S+ 0 0 157 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.888 126.7 29.1 -72.2 -37.4 -8.7 -13.7 -11.4 19 19 A H H < S+ 0 0 132 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.448 108.0 66.2-113.6 2.7 -9.0 -15.5 -14.7 20 20 A S X - 0 0 25 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.1 -0.926 47.2-169.2-133.7 114.8 -8.8 -19.2 -14.1 21 21 A M H > S+ 0 0 114 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.882 93.6 56.3 -57.4 -44.1 -11.3 -21.3 -12.2 22 22 A K H >>S+ 0 0 137 1,-0.2 4,-2.8 2,-0.2 5,-1.5 0.904 107.6 48.4 -63.1 -37.9 -9.0 -24.3 -12.1 23 23 A Y H 4>S+ 0 0 57 -7,-0.2 5,-2.6 3,-0.2 -1,-0.2 0.929 113.6 47.7 -65.8 -41.1 -6.3 -22.2 -10.4 24 24 A R H <5S+ 0 0 73 -4,-2.1 -2,-0.2 -8,-0.3 -1,-0.2 0.860 125.6 27.6 -64.0 -37.5 -8.9 -20.9 -7.9 25 25 A L H <5S+ 0 0 78 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.791 133.2 21.7 -98.0 -34.6 -10.3 -24.3 -7.0 26 26 A S T <5S+ 0 0 38 -4,-2.8 -3,-0.2 -5,-0.3 3,-0.2 0.863 128.4 22.2-102.1 -52.2 -7.5 -26.8 -7.7 27 27 A F T < +A 5 0A 0 -5,-2.6 4,-2.9 -6,-0.3 6,-0.4 -0.180 64.4 139.6-134.2 39.2 -4.1 -22.0 -5.6 29 29 A R T 4>S+ 0 0 40 -25,-0.6 5,-1.3 1,-0.2 6,-1.1 0.886 80.6 41.2 -57.1 -43.7 -7.0 -22.2 -3.1 30 30 A K T >45S+ 0 0 117 3,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.977 117.9 43.6 -69.7 -55.1 -5.0 -20.6 -0.3 31 31 A T T 345S+ 0 0 67 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.868 113.1 52.0 -63.2 -36.2 -3.3 -17.9 -2.3 32 32 A c T 3<5S- 0 0 31 -4,-2.9 -1,-0.3 -9,-0.2 -2,-0.2 0.607 111.8-118.8 -75.6 -9.7 -6.4 -16.9 -4.3 33 33 A G T < 5S+ 0 0 57 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.600 71.2 136.6 82.2 14.1 -8.4 -16.5 -1.1 34 34 A T < 0 0 55 -5,-1.3 -4,-0.2 -6,-0.4 -5,-0.1 0.843 360.0 360.0 -60.0 -36.7 -10.8 -19.3 -2.1 35 35 A a 0 0 88 -6,-1.1 -2,-0.1 -5,-0.1 -33,-0.0 -0.815 360.0 360.0-133.2 360.0 -10.7 -20.7 1.4