==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER POTASSIUM CHANNEL INHIBITOR 11-JAN-96 1ROO . COMPND 2 MOLECULE: SHK TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STICHODACTYLA HELIANTHUS; . AUTHOR J.E.TUDOR,P.K.PALLAGHY,M.W.PENNINGTON,R.S.NORTON . 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 . 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 . 2 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 14.3 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 . 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 R 0 0 259 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.8 1.6 0.0 -3.7 2 2 A S - 0 0 84 2,-0.0 2,-0.7 0, 0.0 27,-0.0 -0.932 360.0-125.8-122.2 145.7 4.5 -2.5 -3.7 3 3 A a + 0 0 43 -2,-0.4 27,-0.3 27,-0.1 2,-0.3 -0.813 47.0 147.4 -93.6 111.4 6.3 -4.0 -0.7 4 4 A I - 0 0 90 -2,-0.7 2,-0.3 22,-0.1 25,-0.3 -0.871 28.7-154.1-138.2 171.7 10.1 -3.5 -1.0 5 5 A D - 0 0 59 -2,-0.3 23,-0.3 24,-0.3 22,-0.2 -0.995 22.2-151.1-146.5 148.1 13.2 -2.9 1.0 6 6 A T S S+ 0 0 115 21,-2.2 22,-0.1 1,-0.4 21,-0.1 0.669 104.4 7.3 -89.6 -19.2 16.6 -1.3 0.6 7 7 A I S S- 0 0 32 20,-1.4 -1,-0.4 16,-0.1 2,-0.1 -0.926 78.7-169.6-150.6 144.9 17.7 -3.9 3.3 8 8 A P > - 0 0 48 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.021 69.3 -15.6-108.6-137.9 15.5 -6.7 4.6 9 9 A K G > S+ 0 0 141 1,-0.3 3,-1.6 2,-0.2 8,-0.1 0.697 118.5 85.7 -36.0 -32.1 16.1 -9.0 7.5 10 10 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.878 114.0 8.5 -46.0 -48.9 19.7 -7.9 7.3 11 11 A R G < S+ 0 0 141 -3,-2.4 2,-0.4 12,-0.1 -1,-0.3 -0.116 124.2 83.6-126.9 33.7 19.0 -4.8 9.5 12 12 A b < + 0 0 0 -3,-1.6 2,-0.3 -4,-0.1 20,-0.1 -0.956 41.5 148.5-142.7 118.0 15.5 -5.9 10.4 13 13 A T >> - 0 0 58 -2,-0.4 4,-3.5 19,-0.1 3,-0.7 -0.934 68.7 -89.9-140.5 153.1 14.6 -8.3 13.1 14 14 A A H 3> S+ 0 0 73 -2,-0.3 4,-2.1 1,-0.3 5,-0.4 0.792 132.3 56.6 -38.4 -30.4 11.3 -8.1 15.0 15 15 A F H 3> S+ 0 0 141 2,-0.2 4,-2.3 3,-0.2 5,-0.4 0.979 117.0 30.0 -69.2 -53.5 13.3 -5.9 17.3 16 16 A Q H <> S+ 0 0 57 -3,-0.7 4,-1.4 3,-0.2 8,-0.3 0.816 122.3 52.8 -75.5 -28.2 14.4 -3.4 14.6 17 17 A c H < S+ 0 0 10 -4,-3.5 -3,-0.2 2,-0.2 -1,-0.2 0.848 119.0 34.1 -75.4 -35.6 11.2 -4.0 12.6 18 18 A K H < S+ 0 0 165 -4,-2.1 -2,-0.2 -5,-0.5 -3,-0.2 0.811 129.5 35.4 -89.6 -33.1 8.9 -3.3 15.6 19 19 A H H < S+ 0 0 93 -4,-2.3 2,-1.6 -5,-0.4 -3,-0.2 0.901 106.5 62.7 -89.5 -43.9 11.1 -0.6 17.2 20 20 A S >X - 0 0 46 -4,-1.4 4,-1.8 -5,-0.4 3,-1.7 -0.603 64.5-170.3 -87.2 91.4 12.6 1.2 14.2 21 21 A M H 3> S+ 0 0 121 -2,-1.6 4,-3.4 1,-0.3 5,-0.2 0.836 87.2 53.3 -46.6 -37.1 9.5 2.6 12.6 22 22 A K H 3>>S+ 0 0 133 1,-0.2 5,-2.8 2,-0.2 4,-1.1 0.803 104.4 56.7 -71.1 -26.0 11.6 3.7 9.6 23 23 A Y H <4>S+ 0 0 52 -3,-1.7 5,-3.4 -7,-0.3 -2,-0.2 0.922 118.5 31.1 -70.2 -42.8 12.9 0.2 9.3 24 24 A R H <5S+ 0 0 103 -4,-1.8 -2,-0.2 -8,-0.3 -3,-0.2 0.896 125.0 45.0 -82.1 -42.9 9.4 -1.1 9.0 25 25 A L H <5S- 0 0 71 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.567 138.7 -3.3 -78.8 -7.8 7.8 1.9 7.3 26 26 A S T <5S+ 0 0 49 -4,-1.1 3,-0.5 -5,-0.2 -20,-0.3 0.496 126.3 51.3-150.8 -44.4 10.7 2.4 4.8 27 27 A F T X + 0 0 0 -5,-3.4 5,-2.8 -23,-0.3 3,-2.6 -0.179 69.5 141.0-108.5 31.0 11.9 -3.2 5.0 29 29 A R T 3 5 + 0 0 79 -3,-0.5 -24,-0.3 4,-0.3 -1,-0.1 0.500 64.1 80.6 -55.5 2.2 8.6 -2.2 3.3 30 30 A K T 3 5S- 0 0 45 -27,-0.3 -1,-0.3 -26,-0.2 -25,-0.1 0.802 126.3 -49.7 -79.7 -32.3 9.0 -5.7 1.8 31 31 A T T <>5S+ 0 0 70 -3,-2.6 4,-1.3 -27,-0.2 -2,-0.1 0.124 135.4 58.6-166.7 -56.7 7.7 -7.6 4.9 32 32 A c T 45S+ 0 0 35 1,-0.2 -3,-0.2 2,-0.2 -8,-0.1 0.823 124.5 33.1 -57.7 -29.1 9.2 -6.6 8.2 33 33 A G T 4