==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 26-JAN-95 1TFS . COMPND 2 MOLECULE: TOXIN FS2; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS POLYLEPIS POLYLEPIS; . AUTHOR J.-P.ALBRAND,M.J.BLACKLEDGE,F.PASCAUD,M.HOLLECKER,D.MARION . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 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 . 21 35.0 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 . 1 1.7 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 . 1 1.7 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 . 6 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.0 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+4), 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 . 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 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 74 0, 0.0 16,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 114.8 12.9 3.1 0.8 2 2 A I E +A 16 0A 52 14,-0.2 55,-2.6 16,-0.1 2,-0.3 -0.819 360.0 153.9 -87.7 125.0 11.9 -0.6 0.6 3 3 A a E -A 15 0A 0 12,-2.8 12,-2.8 -2,-0.5 2,-0.2 -0.921 44.3 -85.4-147.3 170.0 8.1 -0.9 0.8 4 4 A Y E +A 14 0A 50 -2,-0.3 10,-0.3 10,-0.3 19,-0.2 -0.493 47.2 149.6 -81.0 151.2 5.2 -3.2 -0.3 5 5 A S + 0 0 25 8,-2.2 32,-1.8 -2,-0.2 -1,-0.1 0.247 3.8 148.6-135.2 -93.0 3.6 -2.9 -3.7 6 6 A H - 0 0 18 30,-0.2 31,-0.5 1,-0.1 7,-0.0 0.951 34.4-151.7 40.0 106.5 2.0 -6.0 -5.5 7 7 A K S S+ 0 0 166 29,-0.1 2,-1.1 1,-0.1 -1,-0.1 0.797 82.6 84.9 -68.3 -27.8 -1.0 -5.1 -7.7 8 8 A A S S- 0 0 46 1,-0.1 2,-2.3 2,-0.0 -1,-0.1 -0.685 78.1-150.7 -77.3 102.2 -2.4 -8.6 -7.1 9 9 A S S S+ 0 0 29 -2,-1.1 -1,-0.1 1,-0.2 27,-0.1 -0.251 82.9 52.4 -79.3 55.1 -4.2 -7.9 -3.8 10 10 A L S S+ 0 0 158 -2,-2.3 -1,-0.2 1,-0.5 -2,-0.0 0.300 101.9 47.4-147.1 -67.5 -3.8 -11.5 -2.4 11 11 A P S S- 0 0 74 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 -0.187 82.4-127.2 -70.0 176.4 -0.1 -12.5 -2.6 12 12 A R + 0 0 115 -3,-0.1 2,-0.3 24,-0.0 -6,-0.1 -0.958 32.2 158.2-133.0 149.9 2.6 -10.1 -1.3 13 13 A A - 0 0 52 -2,-0.3 -8,-2.2 -7,-0.0 2,-0.3 -0.938 20.9-145.4-163.4 155.0 5.8 -8.6 -2.7 14 14 A T E -A 4 0A 43 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.3 -0.885 10.5-170.7-126.9 157.3 8.0 -5.5 -2.0 15 15 A K E -A 3 0A 100 -12,-2.8 -12,-2.8 -2,-0.3 2,-0.3 -0.945 28.6-103.7-144.1 161.4 10.1 -3.1 -4.1 16 16 A T E +A 2 0A 102 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.639 40.4 177.6 -85.9 146.0 12.6 -0.3 -3.6 17 17 A b - 0 0 21 -16,-2.3 23,-0.0 -2,-0.3 5,-0.0 -0.958 36.9-132.2-146.2 157.1 11.4 3.3 -4.1 18 18 A V S S+ 0 0 151 -2,-0.3 -1,-0.1 21,-0.0 -16,-0.1 0.829 75.3 104.7 -79.6 -37.1 12.8 6.8 -3.8 19 19 A E - 0 0 103 1,-0.1 -2,-0.2 -18,-0.1 21,-0.1 -0.096 66.4-144.5 -50.2 142.1 9.9 8.2 -1.8 20 20 A N S S+ 0 0 98 34,-0.1 35,-1.1 19,-0.1 2,-0.2 0.738 86.8 54.5 -73.6 -26.2 10.3 8.7 2.0 21 21 A T E -B 54 0B 41 33,-0.2 19,-2.7 -20,-0.1 2,-0.3 -0.622 64.0-170.0-109.3 163.3 6.6 7.7 2.3 22 22 A a E -BC 53 39B 0 31,-2.7 31,-2.3 17,-0.3 2,-0.3 -0.961 12.8-137.7-145.9 156.5 4.6 4.6 1.2 23 23 A Y E -BC 52 38B 23 15,-2.5 15,-2.7 -2,-0.3 2,-0.4 -0.859 1.8-152.2-118.5 158.9 0.9 3.8 1.2 24 24 A K E -BC 51 37B 23 27,-2.8 27,-2.6 -2,-0.3 2,-0.4 -0.955 17.2-149.7-124.6 138.8 -1.3 0.8 2.0 25 25 A M E +BC 50 36B 4 11,-3.1 11,-2.0 -2,-0.4 10,-1.4 -0.956 17.0 173.8-120.8 133.0 -4.6 0.2 0.3 26 26 A F E -BC 49 34B 10 23,-2.9 23,-2.9 -2,-0.4 2,-0.3 -0.885 42.8 -94.8-131.2 157.0 -7.8 -1.5 1.6 27 27 A I E > -BC 48 30B 38 6,-0.7 3,-2.0 3,-0.6 21,-0.3 -0.649 38.9-126.1 -72.9 133.9 -11.3 -1.9 0.2 28 28 A R T 3 S+ 0 0 85 19,-3.1 3,-0.4 -2,-0.3 -1,-0.1 0.889 109.8 46.4 -47.5 -52.0 -13.4 0.9 1.7 29 29 A T T 3 S+ 0 0 90 1,-0.2 -1,-0.3 18,-0.2 2,-0.2 0.571 115.3 50.5 -67.9 -13.6 -16.0 -1.4 3.1 30 30 A H E < +C 27 0B 103 -3,-2.0 -3,-0.6 1,-0.1 3,-0.5 -0.622 57.5 164.7-132.2 72.6 -13.3 -3.7 4.6 31 31 A R E S+ 0 0 144 -3,-0.4 2,-2.0 1,-0.3 -1,-0.1 0.907 74.6 66.5 -51.6 -45.8 -10.8 -1.6 6.6 32 32 A E E S+ 0 0 200 1,-0.1 -1,-0.3 -3,-0.1 2,-0.1 -0.224 89.2 75.3 -77.1 48.5 -9.5 -4.8 8.2 33 33 A Y E - 0 0 95 -2,-2.0 2,-1.2 -3,-0.5 -6,-0.7 -0.588 64.9-160.9-160.2 87.8 -8.1 -6.1 4.8 34 34 A I E +C 26 0B 42 1,-0.2 -8,-0.3 -8,-0.2 3,-0.1 -0.661 25.1 173.3 -78.1 99.6 -4.9 -4.3 3.6 35 35 A S E + 0 0 0 -10,-1.4 2,-0.2 -2,-1.2 -9,-0.2 0.923 51.3 3.8 -80.0 -57.3 -5.5 -5.4 0.1 36 36 A E E -C 25 0B 28 -11,-2.0 -11,-3.1 -3,-0.2 2,-0.3 -0.788 64.0-155.8-129.2 170.3 -2.9 -3.7 -2.1 37 37 A R E +C 24 0B 13 -32,-1.8 2,-0.3 -31,-0.5 -13,-0.2 -0.902 12.0 170.6-145.1 169.4 0.1 -1.4 -1.4 38 38 A G E -C 23 0B 7 -15,-2.7 -15,-2.5 -2,-0.3 2,-0.2 -0.974 33.3 -85.6-168.6 176.1 2.3 1.2 -3.1 39 39 A b E S+C 22 0B 31 -17,-0.3 2,-0.7 -2,-0.3 -17,-0.3 -0.607 89.2 4.0 -97.1 155.9 5.0 3.9 -2.6 40 40 A G S S- 0 0 3 -19,-2.7 13,-0.5 -2,-0.2 -2,-0.1 -0.681 111.0 -49.3 78.8-113.3 4.5 7.5 -1.6 41 41 A c S S- 0 0 70 -2,-0.7 -18,-0.2 1,-0.3 -2,-0.1 -0.852 92.7 -6.9-154.6 164.6 0.9 8.3 -0.8 42 42 A P + 0 0 68 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.631 48.0 141.0 -15.6 147.9 -2.5 7.5 -2.7 43 43 A T + 0 0 94 2,-0.0 2,-0.3 -5,-0.0 6,-0.0 -0.638 34.2 124.0 176.8 127.2 -3.3 6.1 -6.1 44 44 A A - 0 0 41 -2,-0.2 2,-0.3 4,-0.1 6,-0.0 -0.941 48.5-121.0 179.5 169.2 -6.3 3.7 -6.3 45 45 A M > - 0 0 133 -2,-0.3 3,-2.6 4,-0.0 -2,-0.0 -0.970 53.6 -59.7-129.4 142.1 -9.7 3.1 -7.9 46 46 A W T 3 S+ 0 0 195 1,-0.3 3,-0.1 -2,-0.3 -19,-0.1 -0.340 121.0 34.2 -57.6 140.6 -13.1 2.7 -6.2 47 47 A P T 3 S+ 0 0 57 0, 0.0 -19,-3.1 0, 0.0 -1,-0.3 -0.916 106.5 88.0 -89.9 19.4 -13.9 0.7 -4.0 48 48 A Y E < -B 27 0B 42 -3,-2.6 2,-0.3 -21,-0.3 -21,-0.2 -0.494 53.8-168.9 -77.6 152.1 -10.2 0.9 -2.8 49 49 A Q E -B 26 0B 57 -23,-2.9 -23,-2.9 -2,-0.1 2,-0.3 -0.988 9.8-147.7-139.1 135.5 -9.1 3.5 -0.2 50 50 A T E -B 25 0B 34 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.733 10.7-168.1-105.2 154.4 -5.5 4.3 0.6 51 51 A E E -B 24 0B 82 -27,-2.6 -27,-2.8 -2,-0.3 2,-0.2 -0.984 19.4-136.4-139.8 141.4 -3.6 5.4 3.8 52 52 A c E +B 23 0B 53 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.516 24.0 165.0-100.1 165.2 0.0 6.7 3.9 53 53 A d E -B 22 0B 26 -31,-2.3 -31,-2.7 -13,-0.5 2,-0.3 -0.920 26.1-125.5-161.3 175.9 3.0 6.1 6.2 54 54 A K E +B 21 0B 155 -33,-0.3 -33,-0.2 -2,-0.3 2,-0.1 -0.964 60.5 62.6-133.6 148.1 6.8 6.5 6.3 55 55 A G S > S- 0 0 22 -35,-1.1 3,-2.3 -2,-0.3 4,-0.4 -0.060 91.3 -56.2 111.5 147.5 9.6 3.9 7.0 56 56 A D T 3 S- 0 0 91 1,-0.3 -53,-0.2 2,-0.1 -2,-0.1 -0.320 123.9 -7.2 -57.3 131.0 10.8 0.8 5.3 57 57 A R T 3 S+ 0 0 123 -55,-2.6 -1,-0.3 1,-0.1 3,-0.2 0.682 89.6 137.7 47.0 30.4 7.9 -1.7 4.9 58 58 A d < + 0 0 27 -3,-2.3 2,-2.1 1,-0.2 -2,-0.1 0.845 58.1 74.5 -64.6 -32.0 5.7 0.6 7.0 59 59 A N 0 0 0 -4,-0.4 -1,-0.2 -36,-0.1 -55,-0.2 -0.372 360.0 360.0 -81.0 58.0 2.9 -0.1 4.5 60 60 A K 0 0 120 -2,-2.1 -36,-0.0 -3,-0.2 -2,-0.0 -0.570 360.0 360.0 -74.9 360.0 2.2 -3.6 5.8