==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER POTASSIUM CHANNEL INHIBITOR 14-MAY-98 1BEI . COMPND 2 MOLECULE: POTASSIUM CHANNEL TOXIN SHK; . SOURCE 2 ORGANISM_SCIENTIFIC: STICHODACTYLA HELIANTHUS; . AUTHOR K.KALMAN,M.W.PENNINGTON,M.D.LANIGAN,A.NGUYEN,H.RAUER, . 35 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 60.0 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 . 4 11.4 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 3 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 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 0 253 0, 0.0 2,-0.5 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 92.4 0.2 16.4 0.3 2 2 A S + 0 0 122 2,-0.0 2,-0.3 33,-0.0 0, 0.0 -0.980 360.0 165.9-121.8 118.6 -3.1 14.4 0.5 3 3 A a - 0 0 20 -2,-0.5 2,-0.3 26,-0.0 32,-0.1 -0.914 13.4-164.0-129.4 153.7 -3.0 10.7 -0.2 4 4 A I - 0 0 108 -2,-0.3 25,-0.3 22,-0.2 2,-0.1 -0.990 20.7-117.8-140.9 145.0 -5.6 8.0 0.5 5 5 A D + 0 0 45 -2,-0.3 23,-0.2 23,-0.2 22,-0.1 -0.441 22.5 179.5 -79.2 155.0 -5.6 4.2 0.6 6 6 A T + 0 0 105 21,-2.7 22,-0.2 -2,-0.1 -1,-0.1 -0.019 57.8 80.2-146.4 28.4 -7.8 2.4 -1.8 7 7 A I S S- 0 0 39 20,-0.5 2,-0.5 16,-0.0 24,-0.1 -0.876 88.9 -97.9-127.7 157.5 -6.9 -1.1 -0.7 8 8 A P >> - 0 0 75 0, 0.0 3,-2.8 0, 0.0 4,-0.9 -0.761 30.4-139.1 -64.9 119.7 -7.8 -3.5 2.1 9 9 A K T 34 S+ 0 0 109 -2,-0.5 3,-0.3 1,-0.3 19,-0.1 0.816 100.8 79.8 -51.9 -29.3 -5.0 -3.0 4.6 10 10 A S T >4 S+ 0 0 90 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.837 92.6 46.4 -45.9 -38.3 -5.4 -6.7 4.8 11 11 A R T <4 S+ 0 0 126 -3,-2.8 2,-0.4 1,-0.2 -1,-0.3 0.840 109.6 53.6 -78.6 -34.3 -3.4 -6.9 1.6 12 12 A b T 3< S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 -0.216 83.2 146.9 -96.4 46.1 -0.8 -4.4 3.0 13 13 A T S X> S- 0 0 26 -3,-0.6 4,-3.2 -2,-0.4 3,-2.5 -0.236 73.3 -88.9 -71.9 169.6 -0.3 -6.6 6.0 14 14 A A H 3> S+ 0 0 75 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.800 132.4 58.5 -51.0 -25.3 3.1 -6.8 7.6 15 15 A F H 34 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.694 122.3 19.6 -78.9 -22.4 3.6 -9.6 5.2 16 16 A Q H <> S+ 0 0 53 -3,-2.5 4,-1.2 3,-0.2 8,-0.6 0.386 109.2 77.3-125.3 -6.7 3.0 -7.5 2.0 17 17 A c H < S+ 0 0 16 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.1 0.937 114.5 20.6 -71.6 -45.6 3.5 -4.0 3.5 18 18 A K T < S+ 0 0 175 -4,-0.7 -1,-0.2 -5,-0.3 -4,-0.1 0.051 139.1 39.3-111.1 25.3 7.4 -4.3 3.4 19 19 A H T 4 S+ 0 0 150 -3,-0.2 2,-0.6 0, 0.0 -3,-0.2 0.483 115.7 43.5-137.1 -44.9 7.2 -7.1 0.8 20 20 A S >X + 0 0 23 -4,-1.2 3,-2.8 -7,-0.2 4,-1.6 -0.611 54.5 168.4-112.9 75.1 4.4 -6.2 -1.6 21 21 A M H 3> + 0 0 110 -2,-0.6 4,-2.0 1,-0.3 6,-0.3 0.727 67.2 89.2 -58.2 -15.4 5.0 -2.5 -2.3 22 22 A X H 34 S+ 0 0 52 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.698 108.2 18.7 -57.7 -14.1 2.4 -3.2 -5.0 23 23 A Y H <>>S+ 0 0 40 -3,-2.8 5,-2.8 -7,-0.4 4,-2.4 0.634 126.2 54.6-115.1 -58.0 -0.0 -2.3 -2.2 24 24 A R H <5S+ 0 0 67 -4,-1.6 -3,-0.2 -8,-0.6 -2,-0.2 0.438 98.3 72.4 -57.3 -0.6 2.3 -0.4 0.1 25 25 A L T <5S- 0 0 92 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 0.907 131.7 -38.3 -77.5 -86.2 3.3 1.9 -2.8 26 26 A S T 45S+ 0 0 46 -5,-0.3 -22,-0.2 -4,-0.1 -2,-0.2 0.110 129.9 75.4-128.2 16.9 0.3 4.1 -3.3 27 27 A F T <5S+ 0 0 84 -4,-2.4 -21,-2.7 -6,-0.3 -20,-0.5 0.866 111.7 25.4 -94.2 -46.4 -2.5 1.5 -2.8 28 28 A b S >XS+ 0 0 0 -5,-2.8 4,-2.8 -23,-0.2 5,-0.9 -0.268 84.2 158.2-109.8 44.0 -2.1 1.5 1.1 29 29 A R H >>S+ 0 0 71 -25,-0.3 5,-2.9 2,-0.2 6,-1.7 0.789 80.6 9.1 -29.5 -61.0 -0.7 5.0 1.1 30 30 A K H 45S+ 0 0 122 3,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.869 118.3 75.5 -92.6 -51.1 -1.5 5.8 4.7 31 31 A T H 45S+ 0 0 40 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.1 0.705 119.2 15.7 -30.5 -38.4 -2.6 2.3 5.7 32 32 A c H <5S- 0 0 27 -4,-2.8 -1,-0.3 -9,-0.1 -2,-0.2 0.733 113.7-107.8-109.6 -41.6 1.1 1.3 5.7 33 33 A G T <