==== 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 02-MAR-99 1CCQ . COMPND 2 MOLECULE: PROTEIN (CYTOTOXIN 2); . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA OXIANA; . AUTHOR D.V.DEMENTIEVA,E.V.BOCHAROV,A.S.ARSENIEV . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4375.0 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 . 6 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.3 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 95 0, 0.0 13,-1.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 68.4 -4.5 7.8 8.5 2 2 A K E +A 13 0A 69 11,-0.2 56,-1.8 17,-0.1 57,-0.4 -0.890 360.0 178.8-104.6 109.6 -1.6 5.4 8.3 3 3 A a E -A 12 0A 0 9,-1.5 9,-1.8 -2,-0.7 2,-0.3 -0.888 17.1-141.2-112.1 141.8 -1.8 3.2 5.2 4 4 A K E -A 11 0A 66 -2,-0.4 7,-0.2 7,-0.2 2,-0.2 -0.675 13.3-153.9-100.1 155.6 0.8 0.6 4.2 5 5 A K - 0 0 37 5,-1.5 2,-0.4 -2,-0.3 32,-0.1 -0.520 28.4 -84.0-116.5-175.5 2.0 -0.2 0.7 6 6 A L > - 0 0 87 30,-0.5 3,-1.6 -2,-0.2 4,-0.1 -0.786 69.1 -54.0 -96.8 136.3 3.5 -3.2 -1.0 7 7 A V T 3 S+ 0 0 127 -2,-0.4 -1,-0.1 1,-0.4 3,-0.1 0.034 123.4 31.3 -42.6 154.9 7.2 -3.8 -0.8 8 8 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.982 114.2 79.1 -75.0 0.0 9.6 -2.6 -1.2 9 9 A L < - 0 0 90 -3,-1.6 -4,-0.1 1,-0.1 3,-0.1 -0.435 68.5-164.8 -63.9 127.2 7.4 0.3 -0.2 10 10 A F - 0 0 149 1,-0.2 -5,-1.5 -2,-0.2 2,-0.2 0.221 37.8 -43.5 -90.2-146.8 7.0 0.3 3.5 11 11 A S E +A 4 0A 38 -7,-0.2 2,-0.3 -9,-0.0 -1,-0.2 -0.583 59.4 167.6 -87.7 150.0 4.4 2.1 5.7 12 12 A K E -A 3 0A 112 -9,-1.8 -9,-1.5 -2,-0.2 2,-0.5 -0.976 37.2-108.1-160.2 150.0 3.5 5.7 5.1 13 13 A T E -A 2 0A 79 -2,-0.3 -11,-0.2 -11,-0.2 25,-0.1 -0.734 47.0-101.9 -86.9 123.2 0.8 8.2 6.2 14 14 A b - 0 0 5 -13,-1.6 3,-0.1 -2,-0.5 -1,-0.1 -0.193 46.3-138.3 -44.7 114.2 -1.7 9.0 3.5 15 15 A P > - 0 0 61 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.230 43.3 -52.2 -75.0 167.6 -0.5 12.4 2.3 16 16 A A T 3 S+ 0 0 104 1,-0.2 3,-0.1 3,-0.1 0, 0.0 -0.077 128.8 37.6 -40.5 130.5 -2.8 15.3 1.4 17 17 A G T 3 S+ 0 0 47 -3,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.286 109.0 64.0 117.6 -44.9 -5.5 14.1 -0.9 18 18 A K < + 0 0 88 -3,-2.4 22,-0.3 1,-0.1 -1,-0.1 -0.934 40.1 159.8-116.5 137.3 -6.0 10.6 0.5 19 19 A N + 0 0 97 20,-1.2 2,-0.3 -2,-0.4 21,-0.2 0.186 63.4 65.2-135.7 9.1 -7.4 9.9 4.0 20 20 A L E S-B 39 0B 49 19,-1.9 19,-1.9 -19,-0.1 2,-0.4 -0.905 74.7-123.4-133.2 160.5 -8.5 6.4 3.4 21 21 A a E -BC 38 54B 2 33,-2.2 33,-1.4 -2,-0.3 2,-0.4 -0.877 22.3-158.3-107.9 137.9 -6.8 3.1 2.7 22 22 A Y E -BC 37 53B 48 15,-2.0 15,-1.7 -2,-0.4 2,-0.4 -0.929 9.9-176.6-118.8 141.2 -7.7 1.0 -0.3 23 23 A K E -BC 36 52B 49 29,-1.3 29,-1.8 -2,-0.4 2,-0.4 -0.918 6.8-166.1-140.3 109.7 -7.2 -2.7 -0.9 24 24 A M E +BC 35 51B 19 11,-2.2 10,-1.9 -2,-0.4 11,-1.7 -0.810 19.6 154.8 -99.5 135.1 -8.1 -4.4 -4.2 25 25 A F E - C 0 50B 13 25,-1.5 25,-1.9 -2,-0.4 2,-0.5 -0.907 44.1 -88.9-148.2 173.4 -8.3 -8.2 -4.5 26 26 A M E > - C 0 49B 101 6,-0.4 2,-3.2 -2,-0.3 3,-1.6 -0.783 36.7-120.2 -94.0 129.5 -9.9 -11.0 -6.5 27 27 A V T 3 S+ 0 0 68 21,-1.9 -1,-0.1 -2,-0.5 22,-0.0 -0.369 105.3 56.8 -66.1 72.6 -13.3 -12.3 -5.3 28 28 A A T 3 S+ 0 0 89 -2,-3.2 -1,-0.2 0, 0.0 20,-0.0 0.214 100.8 46.5-165.8 -42.0 -11.9 -15.7 -4.8 29 29 A A X - 0 0 51 -3,-1.6 2,-2.7 3,-0.2 3,-0.6 -0.735 60.2-178.2-119.9 79.8 -9.0 -15.5 -2.4 30 30 A P T 3 S+ 0 0 112 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 -0.306 77.5 53.9 -75.0 57.0 -10.1 -13.4 0.5 31 31 A H T 3 S+ 0 0 171 -2,-2.7 -2,-0.0 1,-0.3 0, 0.0 0.351 94.7 59.4-150.7 -49.3 -6.7 -13.6 2.1 32 32 A V S < S- 0 0 97 -3,-0.6 -6,-0.4 -6,-0.1 -1,-0.3 -0.865 73.6-150.7 -99.5 116.3 -4.1 -12.6 -0.3 33 33 A P - 0 0 37 0, 0.0 -8,-0.2 0, 0.0 3,-0.1 -0.098 8.9-154.6 -75.0 178.1 -4.5 -9.0 -1.6 34 34 A V S S+ 0 0 52 -10,-1.9 2,-0.4 1,-0.4 -9,-0.2 0.690 72.5 7.0-118.5 -57.9 -3.4 -7.6 -4.9 35 35 A K E -B 24 0B 90 -11,-1.7 -11,-2.2 2,-0.0 -1,-0.4 -0.990 59.4-177.6-134.8 142.0 -2.8 -3.9 -4.6 36 36 A R E +B 23 0B 79 -2,-0.4 -30,-0.5 -13,-0.2 2,-0.2 -0.980 25.5 114.0-143.9 127.2 -2.8 -1.7 -1.5 37 37 A G E -B 22 0B 6 -15,-1.7 -15,-2.0 -2,-0.4 2,-0.2 -0.729 58.7 -57.1-159.1-152.7 -2.3 2.1 -1.3 38 38 A b E -B 21 0B 23 -17,-0.2 2,-0.3 -2,-0.2 -17,-0.2 -0.639 43.6-179.7-105.7 165.0 -4.0 5.3 -0.4 39 39 A I E -B 20 0B 29 -19,-1.9 -19,-1.9 -2,-0.2 -20,-1.2 -0.978 27.9-149.3-160.1 158.6 -7.2 6.8 -1.8 40 40 A D S S+ 0 0 100 1,-0.3 2,-0.4 -2,-0.3 -21,-0.1 0.864 88.3 27.0 -96.9 -54.3 -9.4 9.9 -1.5 41 41 A V S S- 0 0 94 -21,-0.1 -1,-0.3 -23,-0.0 -21,-0.0 -0.937 80.3-125.3-116.0 135.6 -12.8 8.4 -2.3 42 42 A c - 0 0 61 -2,-0.4 -20,-0.0 -3,-0.1 11,-0.0 -0.700 31.0-147.7 -81.7 116.4 -13.8 4.8 -1.8 43 43 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.107 23.4 -89.3 -75.0 177.5 -15.1 3.5 -5.1 44 44 A K - 0 0 187 1,-0.1 2,-0.1 8,-0.0 8,-0.0 -0.551 39.2-118.6 -89.0 155.5 -17.8 0.8 -5.6 45 45 A S - 0 0 46 -2,-0.2 2,-0.2 5,-0.1 5,-0.2 -0.467 24.4-150.6 -90.0 164.1 -17.1 -2.9 -5.7 46 46 A S - 0 0 61 3,-2.1 -1,-0.1 -2,-0.1 5,-0.0 -0.620 31.0-104.8-123.9-176.9 -17.8 -5.2 -8.6 47 47 A L S S+ 0 0 176 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 0.600 120.6 35.8 -85.1 -13.8 -18.6 -8.9 -9.1 48 48 A L S S+ 0 0 127 1,-0.3 -21,-1.9 -22,-0.1 2,-0.2 0.854 123.7 27.5 -99.9 -67.6 -15.1 -9.4 -10.3 49 49 A V E -C 26 0B 26 -23,-0.2 -3,-2.1 -22,-0.0 2,-0.4 -0.597 67.9-149.5 -96.9 159.8 -12.8 -7.2 -8.2 50 50 A K E -C 25 0B 75 -25,-1.9 -25,-1.5 -2,-0.2 2,-0.8 -0.979 4.8-164.9-135.3 120.2 -13.5 -6.0 -4.7 51 51 A Y E -C 24 0B 61 -2,-0.4 2,-0.5 -27,-0.2 -27,-0.2 -0.837 12.2-175.9-108.3 94.8 -12.2 -2.7 -3.4 52 52 A V E -C 23 0B 63 -29,-1.8 -29,-1.3 -2,-0.8 2,-0.3 -0.796 5.5-166.4 -93.7 127.1 -12.6 -2.6 0.4 53 53 A c E -C 22 0B 33 -2,-0.5 2,-0.3 -31,-0.2 -31,-0.2 -0.699 5.3-173.5-109.1 162.7 -11.6 0.6 2.1 54 54 A d E -C 21 0B 25 -33,-1.4 -33,-2.2 -2,-0.3 6,-0.1 -0.984 26.4-144.6-155.0 150.0 -11.0 1.3 5.8 55 55 A N S S+ 0 0 132 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.1 -0.375 70.3 96.0-112.9 50.2 -10.3 4.3 8.0 56 56 A T S > S- 0 0 77 -54,-0.1 3,-0.9 -35,-0.0 4,-0.4 -0.946 79.9 -93.2-138.1 157.7 -7.9 2.6 10.3 57 57 A D T 3 S+ 0 0 111 -2,-0.3 -54,-0.2 1,-0.3 -2,-0.1 -0.410 107.3 0.6 -70.1 144.9 -4.1 2.3 10.7 58 58 A K T 3 S+ 0 0 154 -56,-1.8 -1,-0.3 1,-0.1 -55,-0.1 0.888 96.3 127.0 40.2 52.3 -2.5 -0.7 9.1 59 59 A d < 0 0 36 -3,-0.9 -2,-0.1 -57,-0.4 -1,-0.1 0.824 360.0 360.0-100.1 -49.0 -6.0 -1.7 8.0 60 60 A N 0 0 6 -4,-0.4 -1,-0.1 -6,-0.1 -2,-0.1 0.085 360.0 360.0 -80.9 360.0 -5.3 -2.2 4.3