==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-OCT-99 1C56 . COMPND 2 MOLECULE: BUTANTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TITYUS SERRULATUS; . AUTHOR S.K.HOLADAY JR.,B.M.MARTIN,P.L.FLETCHER JR.,N.R.KRISHNA . 40 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 55.0 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 . 7 17.5 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 . 1 2.5 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 . 5 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.5 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 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 W 0 0 266 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.1 -9.7 10.8 -2.6 2 2 A a - 0 0 41 1,-0.2 3,-0.4 3,-0.1 0, 0.0 -0.956 360.0-175.7-120.1 126.8 -6.8 8.8 -1.1 3 3 A S S S+ 0 0 99 -2,-0.5 2,-1.5 1,-0.2 -1,-0.2 0.963 85.3 31.1 -82.4 -67.2 -3.7 10.4 0.5 4 4 A T S S+ 0 0 17 34,-0.2 34,-1.0 33,-0.1 2,-0.5 -0.444 90.1 129.8 -90.2 66.1 -1.4 7.4 1.3 5 5 A a B -A 37 0A 40 -2,-1.5 32,-0.2 -3,-0.4 2,-0.1 -0.965 42.9-152.8-123.3 125.4 -2.5 5.2 -1.6 6 6 A L - 0 0 29 30,-1.8 10,-0.0 -2,-0.5 -2,-0.0 -0.356 22.5-123.4 -87.0 172.7 0.0 3.6 -4.0 7 7 A D S S+ 0 0 135 -2,-0.1 2,-0.4 28,-0.1 -1,-0.1 0.333 81.6 99.3 -98.2 8.4 -0.7 2.6 -7.6 8 8 A L S S- 0 0 93 28,-0.2 28,-2.0 8,-0.0 -2,-0.1 -0.750 76.4-118.9 -96.5 141.8 0.2 -1.0 -7.1 9 9 A A - 0 0 59 -2,-0.4 26,-0.3 26,-0.2 25,-0.1 -0.452 27.9-124.1 -75.8 149.9 -2.5 -3.7 -6.5 10 10 A b + 0 0 33 24,-0.3 -1,-0.1 1,-0.1 26,-0.1 0.064 58.5 123.5 -77.3-164.0 -2.5 -5.6 -3.2 11 11 A G S S+ 0 0 73 24,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.113 76.5 43.1 132.2 -21.2 -2.3 -9.4 -2.9 12 12 A A > - 0 0 43 1,-0.1 4,-1.9 2,-0.0 3,-0.5 -0.812 65.4-144.2-156.9 111.8 0.8 -9.9 -0.8 13 13 A S H > S+ 0 0 109 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.855 107.9 53.1 -44.1 -34.8 1.8 -7.9 2.3 14 14 A R H > S+ 0 0 200 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.945 102.8 54.9 -69.5 -45.8 5.3 -8.3 1.1 15 15 A E H 4 S+ 0 0 114 -3,-0.5 3,-0.2 1,-0.2 -2,-0.2 0.930 118.0 35.7 -54.2 -44.8 4.6 -6.9 -2.4 16 16 A c H X S+ 0 0 10 -4,-1.9 4,-2.1 1,-0.2 5,-0.4 0.737 107.6 68.7 -82.0 -20.9 3.2 -3.7 -0.9 17 17 A Y H X S+ 0 0 115 -4,-1.5 4,-0.7 -5,-0.4 -2,-0.2 0.844 96.5 54.8 -66.9 -30.0 5.8 -3.8 2.0 18 18 A D H X S+ 0 0 99 -4,-1.7 4,-1.6 -3,-0.2 -1,-0.2 0.988 122.5 24.3 -66.2 -57.5 8.6 -3.0 -0.5 19 19 A P H > S+ 0 0 27 0, 0.0 4,-3.7 0, 0.0 5,-0.4 0.967 119.0 57.4 -73.1 -56.8 7.0 0.1 -2.0 20 20 A d H X>S+ 0 0 3 -4,-2.1 5,-0.8 1,-0.3 4,-0.8 0.795 114.5 44.0 -47.0 -24.4 4.8 1.1 1.0 21 21 A F H <5S+ 0 0 93 -4,-0.7 -1,-0.3 -5,-0.4 -3,-0.1 0.844 117.5 41.2 -90.6 -37.2 8.1 1.1 2.9 22 22 A K H <5S+ 0 0 181 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.1 0.734 121.2 44.5 -82.4 -20.6 10.2 3.0 0.3 23 23 A A H <5S+ 0 0 64 -4,-3.7 -3,-0.2 -5,-0.1 -2,-0.1 0.940 135.0 10.9 -87.3 -58.0 7.4 5.4 -0.5 24 24 A F T <5S- 0 0 77 -4,-0.8 -3,-0.2 -5,-0.4 -2,-0.1 0.823 98.7-121.3 -90.5 -33.9 6.1 6.4 3.0 25 25 A G S -B 35 0A 110 3,-4.0 3,-0.6 -2,-0.8 -22,-0.1 -0.954 68.1 -7.6-121.1 122.0 -8.3 -1.1 -0.6 33 33 A N T 3 S- 0 0 110 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.960 129.5 -54.3 64.2 48.8 -10.0 -1.2 -4.0 34 34 A N T 3 S+ 0 0 126 -3,-0.2 2,-0.3 1,-0.2 -24,-0.3 0.727 126.9 98.1 58.9 16.1 -7.6 -3.9 -5.4 35 35 A K E < S- B 0 32A 80 -3,-0.6 -3,-4.0 -26,-0.3 2,-0.4 -0.979 79.4-114.5-135.4 148.3 -4.9 -1.4 -4.4 36 36 A c E - B 0 31A 10 -28,-2.0 -30,-1.8 -2,-0.3 2,-0.5 -0.657 29.6-168.7 -82.7 129.9 -2.6 -1.2 -1.3 37 37 A R E -AB 5 30A 98 -7,-3.7 -7,-1.9 -2,-0.4 -32,-0.2 -0.929 3.8-159.4-122.8 112.8 -3.2 1.9 0.9 38 38 A d E - B 0 29A 2 -34,-1.0 2,-0.3 -2,-0.5 -9,-0.3 -0.459 8.4-158.8 -85.0 161.3 -0.7 2.7 3.6 39 39 A Y 0 0 105 -11,-2.0 -11,-0.1 -13,-0.1 -13,-0.0 -0.943 360.0 360.0-137.7 160.3 -1.6 5.0 6.6 40 40 A T 0 0 175 -2,-0.3 -36,-0.0 -11,-0.0 -16,-0.0 -0.780 360.0 360.0-127.4 360.0 0.4 7.1 9.1