==== 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 4LFQ . 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) . 2900.0 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 . 3 8.6 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 . 9 25.7 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 0 2 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 0 299 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.2 -4.9 4.7 -17.0 2 2 A S - 0 0 94 2,-0.0 2,-0.8 33,-0.0 0, 0.0 -0.957 360.0-126.7-129.1 152.2 -3.2 5.1 -13.6 3 3 A a + 0 0 41 -2,-0.3 2,-0.3 32,-0.1 32,-0.0 -0.889 50.5 145.1-102.2 104.6 -4.5 4.2 -10.2 4 4 A I - 0 0 95 -2,-0.8 25,-0.5 26,-0.0 2,-0.4 -0.911 52.3-111.9-134.2 160.1 -4.3 7.3 -8.0 5 5 A D - 0 0 27 -2,-0.3 23,-0.2 24,-0.2 4,-0.1 -0.762 21.4-154.4 -83.1 143.1 -6.0 9.1 -5.2 6 6 A T S S+ 0 0 87 21,-2.0 22,-0.2 -2,-0.4 -1,-0.1 0.294 78.4 47.1-106.0 5.8 -7.4 12.4 -6.4 7 7 A I S S- 0 0 32 20,-1.0 5,-0.1 1,-0.0 -2,-0.1 -0.888 114.1 -65.0-129.5 167.2 -7.3 14.1 -3.0 8 8 A P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.305 48.4-125.8 -53.2 133.9 -4.5 14.1 -0.5 9 9 A K G > S+ 0 0 151 1,-0.3 3,-1.8 2,-0.2 -3,-0.0 0.808 105.8 64.9 -54.3 -36.7 -3.9 10.5 0.7 10 10 A S G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.763 96.0 57.7 -62.6 -23.5 -4.2 11.4 4.4 11 11 A R G < S+ 0 0 153 -3,-2.0 2,-1.9 1,-0.2 -1,-0.3 0.628 85.0 85.1 -77.3 -14.7 -7.9 12.4 3.8 12 12 A b S < S+ 0 0 9 -3,-1.8 -1,-0.2 -4,-0.4 -3,-0.1 -0.515 72.3 175.9 -86.4 68.0 -8.5 8.8 2.5 13 13 A T > - 0 0 59 -2,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.212 47.0-111.2 -74.8 164.0 -9.1 7.5 6.0 14 14 A A H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 120.5 57.6 -57.1 -40.1 -10.1 4.0 7.0 15 15 A F H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 108.0 45.1 -58.9 -45.7 -13.4 5.6 8.1 16 16 A Q H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 8,-0.3 0.907 111.1 51.5 -68.8 -41.0 -14.0 7.0 4.6 17 17 A c H < S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.904 115.9 44.3 -59.5 -37.6 -13.1 3.8 2.8 18 18 A K H < S+ 0 0 152 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.911 129.3 20.5 -69.1 -44.1 -15.5 1.9 5.1 19 19 A H H < S+ 0 0 110 -4,-2.4 2,-0.6 -5,-0.2 -3,-0.2 0.534 106.6 73.0-113.0 -10.2 -18.4 4.3 5.0 20 20 A S X - 0 0 22 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 -0.882 42.2-177.4-119.7 103.2 -18.2 6.6 1.9 21 21 A M H > S+ 0 0 126 -2,-0.6 4,-2.4 1,-0.2 5,-0.3 0.893 90.6 57.5 -58.4 -39.9 -18.9 5.1 -1.5 22 22 A K H >>S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 5,-0.9 0.933 109.8 41.8 -57.2 -49.6 -18.0 8.5 -3.0 23 23 A Y H >>S+ 0 0 61 1,-0.2 5,-2.9 3,-0.2 4,-0.7 0.936 115.8 50.8 -62.8 -43.6 -14.6 8.5 -1.4 24 24 A R H <5S+ 0 0 76 -4,-2.6 10,-0.3 -8,-0.3 -2,-0.2 0.829 121.2 31.7 -63.0 -36.0 -14.1 4.8 -2.3 25 25 A L H <5S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.681 134.2 16.9 -99.5 -21.8 -15.1 5.3 -6.0 26 26 A S H <5S+ 0 0 57 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.724 128.0 27.3-124.0 -39.3 -13.9 8.8 -6.8 27 27 A F T << + 0 0 0 -5,-2.9 4,-3.0 -6,-0.3 6,-0.3 -0.217 66.3 138.4-130.7 40.8 -9.5 7.5 -2.9 29 29 A R T 4>S+ 0 0 96 -25,-0.5 5,-1.6 1,-0.2 6,-1.3 0.872 78.9 43.6 -63.4 -37.1 -9.5 4.7 -5.5 30 30 A K T >45S+ 0 0 131 -26,-0.3 3,-1.2 3,-0.2 -1,-0.2 0.969 118.3 41.2 -70.0 -54.1 -5.8 3.8 -4.8 31 31 A T T 345S+ 0 0 52 1,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.855 117.6 47.8 -66.6 -35.1 -6.0 3.9 -1.0 32 32 A c T 3<5S- 0 0 25 -4,-3.0 -1,-0.3 -9,-0.2 -2,-0.2 0.369 111.6-121.8 -88.9 5.8 -9.4 2.2 -0.8 33 33 A G T < 5S+ 0 0 59 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.681 72.6 129.2 71.5 21.3 -8.2 -0.5 -3.2 34 34 A T < 0 0 53 -5,-1.6 -4,-0.2 -6,-0.3 -5,-0.1 0.440 360.0 360.0 -94.7 0.5 -10.8 0.1 -5.9 35 35 A a 0 0 83 -6,-1.3 -32,-0.1 -5,-0.1 -2,-0.0 -0.894 360.0 360.0-133.9 360.0 -8.2 0.3 -8.6