==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 06-APR-05 1ZAD . COMPND 2 MOLECULE: CYTOTOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA OXIANA; . AUTHOR M.A.DUBINNYI,Y.E.PUSTOVALOVA,P.V.DUBOVSKII,Y.N.UTKIN, . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 53.3 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 . 17 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 . 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 . 8 13.3 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 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 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 L 0 0 35 0, 0.0 13,-3.4 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 147.8 5.6 11.1 -1.2 2 2 A K E -A 13 0A 94 11,-0.3 56,-3.5 17,-0.1 57,-0.4 -0.893 360.0-176.8-103.8 113.3 8.0 8.2 -0.7 3 3 A a E -A 12 0A 7 9,-2.5 9,-2.4 -2,-0.7 2,-0.2 -0.858 14.1-140.8-110.5 144.9 6.2 4.8 -1.0 4 4 A N E -A 11 0A 8 -2,-0.4 7,-0.3 7,-0.3 56,-0.0 -0.497 14.3-123.2 -98.0 169.7 7.9 1.5 -0.4 5 5 A K - 0 0 118 5,-1.9 -1,-0.2 2,-0.9 32,-0.1 0.046 60.3 -53.8 -92.7-156.2 7.4 -1.7 -2.3 6 6 A L S S+ 0 0 107 1,-0.1 -2,-0.1 2,-0.1 31,-0.1 0.851 131.0 52.5 -50.9 -37.3 6.4 -5.2 -1.1 7 7 A V S > S- 0 0 80 3,-0.1 2,-2.4 29,-0.1 3,-0.9 -0.890 86.9-128.5-105.8 129.6 9.2 -4.8 1.4 8 8 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.330 95.6 73.6 -60.6 55.3 9.7 -1.9 3.7 9 9 A I T 3 S+ 0 0 126 -2,-2.4 2,-0.5 1,-0.4 -3,-0.0 0.523 89.8 45.8-134.9 -47.1 13.4 -1.4 2.6 10 10 A A < + 0 0 37 -3,-0.9 -5,-1.9 2,-0.0 -1,-0.4 -0.915 66.3 160.1-110.3 131.4 13.3 0.0 -0.9 11 11 A Y E -A 4 0A 82 -2,-0.5 -7,-0.3 -7,-0.3 2,-0.2 -0.977 15.1-169.5-147.4 157.2 11.0 3.0 -1.7 12 12 A K E -A 3 0A 163 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.6 -0.752 40.9 -72.0-136.1-178.4 10.7 5.7 -4.3 13 13 A T E -A 2 0A 71 -11,-0.2 -11,-0.3 -2,-0.2 6,-0.0 -0.719 43.3-125.8 -85.3 122.0 8.7 8.9 -4.9 14 14 A b - 0 0 4 -13,-3.4 3,-0.1 -2,-0.6 -1,-0.1 -0.558 44.3-128.7 -69.5 106.0 5.1 8.3 -5.8 15 15 A P > - 0 0 89 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.407 37.1 -46.9 -59.6-174.8 4.9 10.2 -9.0 16 16 A E T 3 S+ 0 0 199 1,-0.3 3,-0.1 3,-0.1 0, 0.0 -0.307 129.1 20.4 -54.8 124.4 2.7 12.9 -10.5 17 17 A G T 3 S+ 0 0 60 -3,-0.1 2,-0.6 22,-0.1 -1,-0.3 -0.224 116.3 70.5 108.5 -40.6 -0.9 11.9 -10.0 18 18 A K < + 0 0 99 -3,-1.7 22,-0.2 1,-0.1 20,-0.0 -0.930 42.3 147.4-115.7 107.9 -0.2 9.5 -7.2 19 19 A N + 0 0 90 -2,-0.6 2,-0.4 20,-0.6 21,-0.2 0.119 54.1 86.0-122.0 15.5 0.8 11.1 -3.9 20 20 A L E -B 39 0B 53 19,-2.0 19,-2.8 -19,-0.1 2,-0.5 -0.936 62.2-150.5-121.4 143.2 -0.8 8.6 -1.7 21 21 A a E +BC 38 54B 0 33,-1.8 33,-2.1 -2,-0.4 2,-0.3 -0.948 19.2 176.8-115.7 131.8 0.7 5.3 -0.5 22 22 A Y E -BC 37 53B 45 15,-3.1 15,-1.2 -2,-0.5 2,-0.3 -0.883 17.0-157.8-131.1 162.1 -1.5 2.3 0.3 23 23 A K E -BC 36 52B 30 29,-1.7 29,-1.7 -2,-0.3 2,-0.5 -0.922 9.7-151.8-145.9 114.6 -1.0 -1.3 1.4 24 24 A M E -BC 35 51B 31 11,-2.3 11,-2.0 -2,-0.3 10,-1.8 -0.749 9.7-158.7 -90.4 129.0 -3.6 -4.1 0.9 25 25 A F E - C 0 50B 17 25,-2.3 25,-2.1 -2,-0.5 2,-0.2 -0.937 7.3-146.6-112.4 121.8 -3.6 -6.9 3.3 26 26 A M E S- C 0 49B 92 -2,-0.5 2,-3.8 23,-0.2 23,-0.2 -0.505 74.3 -8.0 -84.2 153.1 -5.1 -10.2 2.4 27 27 A M S S+ 0 0 162 21,-2.2 2,-0.3 -2,-0.2 -1,-0.1 -0.290 137.3 0.5 62.9 -67.1 -6.9 -12.5 4.9 28 28 A S - 0 0 44 -2,-3.8 22,-0.1 4,-0.2 -2,-0.1 -0.971 49.9-151.8-148.4 159.0 -5.8 -10.3 7.7 29 29 A D S S+ 0 0 67 -2,-0.3 -1,-0.1 -4,-0.1 -3,-0.1 0.746 87.9 80.1-100.2 -34.7 -3.8 -7.2 8.3 30 30 A L S S+ 0 0 162 -5,-0.1 -1,-0.1 2,-0.1 2,-0.0 0.768 99.7 52.7 -43.0 -27.8 -2.6 -8.0 11.8 31 31 A T S S- 0 0 84 1,-0.2 -4,-0.0 0, 0.0 -6,-0.0 0.114 113.5 -59.3 -90.0-154.0 -0.1 -10.0 9.9 32 32 A I - 0 0 144 1,-0.1 -4,-0.2 2,-0.0 -6,-0.2 -0.738 61.8-105.0 -98.0 145.5 2.2 -9.0 7.0 33 33 A P - 0 0 30 0, 0.0 -8,-0.2 0, 0.0 -1,-0.1 0.332 11.9-151.4 -63.1-173.1 0.8 -7.6 3.8 34 34 A V S S+ 0 0 57 -10,-1.8 2,-0.3 1,-0.5 -9,-0.2 0.602 77.2 3.9-126.4 -43.9 0.3 -8.8 0.2 35 35 A K E +B 24 0B 142 -11,-2.0 -11,-2.3 -30,-0.0 -1,-0.5 -0.990 58.7 169.2-148.5 150.4 0.5 -5.8 -1.9 36 36 A R E +B 23 0B 29 -2,-0.3 -13,-0.3 -13,-0.3 2,-0.2 -0.889 15.0 130.4-165.7 131.7 1.2 -2.1 -1.5 37 37 A G E -B 22 0B 18 -15,-1.2 -15,-3.1 -2,-0.3 2,-0.2 -0.663 51.3 -61.2-153.4-152.1 1.9 0.8 -3.8 38 38 A b E +B 21 0B 36 -17,-0.3 2,-0.3 -2,-0.2 -17,-0.3 -0.670 46.4 164.7-108.4 164.8 0.9 4.4 -4.5 39 39 A I E -B 20 0B 29 -19,-2.8 -19,-2.0 -2,-0.2 -20,-0.6 -0.955 38.3-134.1-165.4 175.1 -2.5 5.8 -5.5 40 40 A D S S+ 0 0 87 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.722 93.6 23.9-109.0 -39.3 -4.5 9.0 -5.9 41 41 A V S S- 0 0 98 -21,-0.1 -1,-0.4 -23,-0.0 -21,-0.0 -0.997 83.9-116.4-135.1 129.0 -7.8 7.9 -4.3 42 42 A c - 0 0 60 -2,-0.4 3,-0.1 -3,-0.1 9,-0.0 -0.471 34.1-137.5 -64.1 119.5 -8.3 5.1 -1.8 43 43 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 10,-0.1 -0.095 34.5 -73.5 -61.4 171.5 -10.5 2.4 -3.2 44 44 A K - 0 0 194 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.589 51.3-133.8 -75.1 126.4 -13.3 0.5 -1.4 45 45 A N - 0 0 67 -2,-0.4 2,-0.2 6,-0.1 5,-0.1 -0.274 19.0-149.2 -75.4 165.4 -11.9 -2.0 1.1 46 46 A S - 0 0 53 3,-0.9 5,-0.2 1,-0.0 -1,-0.1 -0.685 25.0-116.6-127.3-179.6 -13.2 -5.5 1.4 47 47 A L S S+ 0 0 169 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.661 116.5 49.9 -91.9 -21.1 -13.6 -8.2 4.1 48 48 A L S S+ 0 0 105 1,-0.1 -21,-2.2 -22,-0.1 2,-0.3 0.738 122.3 29.6 -86.4 -27.1 -11.2 -10.5 2.4 49 49 A V E S-C 26 0B 32 -23,-0.2 -3,-0.9 -22,-0.1 2,-0.5 -0.894 73.2-135.2-131.2 160.3 -8.6 -7.7 2.1 50 50 A K E -C 25 0B 92 -25,-2.1 -25,-2.3 -2,-0.3 2,-0.9 -0.971 11.6-153.4-122.2 117.7 -7.7 -4.6 4.1 51 51 A Y E -C 24 0B 65 -2,-0.5 2,-0.8 -27,-0.2 -27,-0.2 -0.802 14.1-178.3 -93.9 106.1 -7.0 -1.4 2.3 52 52 A V E -C 23 0B 47 -29,-1.7 -29,-1.7 -2,-0.9 2,-0.2 -0.869 7.3-177.3-108.2 99.3 -4.7 0.8 4.4 53 53 A c E +C 22 0B 41 -2,-0.8 2,-0.3 -31,-0.3 -31,-0.3 -0.622 6.1 167.4 -94.3 154.9 -4.1 4.1 2.6 54 54 A d E -C 21 0B 26 -33,-2.1 -33,-1.8 -2,-0.2 6,-0.0 -0.930 36.2-147.2-155.4 173.4 -1.9 6.8 3.9 55 55 A N + 0 0 102 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.1 0.060 64.8 109.0-135.9 20.3 -0.2 10.0 2.9 56 56 A T S > S- 0 0 73 -35,-0.2 3,-1.5 -55,-0.1 4,-0.3 -0.835 78.0-103.9-105.1 140.3 3.0 9.7 5.0 57 57 A D T 3 S+ 0 0 101 -2,-0.4 -54,-0.2 1,-0.3 -2,-0.1 -0.432 108.7 7.1 -62.7 123.4 6.4 9.0 3.5 58 58 A R T 3 S+ 0 0 120 -56,-3.5 -1,-0.3 -2,-0.2 -55,-0.1 0.869 85.0 141.8 70.5 38.5 7.3 5.4 4.2 59 59 A d < 0 0 30 -3,-1.5 -2,-0.1 -57,-0.4 -56,-0.1 0.866 360.0 360.0 -76.4 -38.7 3.8 4.7 5.6 60 60 A N 0 0 9 -4,-0.3 -55,-0.1 -38,-0.1 -37,-0.1 0.174 360.0 360.0 -94.1 360.0 3.7 1.3 3.9