==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-JAN-01 1I02 . COMPND 2 MOLECULE: CARDIOTOXIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR S.-C.SUE,J.HAROLD,W.-G.WU . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 56.7 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 . 19 31.7 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 . 9 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 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+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 . 1 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 74 0, 0.0 13,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.6 66.5 46.4 -26.2 2 2 A K E -A 13 0A 82 11,-0.3 56,-2.7 17,-0.1 11,-0.3 -0.919 360.0-152.1-132.9 159.2 62.9 46.7 -27.6 3 3 A a E -A 12 0A 0 9,-3.3 9,-2.7 -2,-0.3 35,-0.1 -0.879 35.8 -76.4-129.8 163.9 61.4 47.4 -31.0 4 4 A N E -A 11 0A 33 -2,-0.3 7,-0.3 7,-0.3 2,-0.3 -0.196 48.3-124.1 -54.6 147.3 58.3 48.9 -32.5 5 5 A K - 0 0 77 5,-2.4 4,-0.2 2,-0.5 32,-0.1 -0.694 30.8-101.7 -93.0 148.7 55.2 46.7 -32.2 6 6 A L S S+ 0 0 73 30,-0.7 -1,-0.1 -2,-0.3 31,-0.1 0.854 115.0 67.2 -36.7 -37.2 53.3 45.9 -35.5 7 7 A V S > S- 0 0 60 29,-0.1 2,-2.8 1,-0.1 3,-0.8 -0.719 94.4-125.3 -89.1 134.6 50.9 48.6 -34.2 8 8 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.140 101.0 64.0 -70.4 47.9 52.2 52.2 -34.0 9 9 A L T 3 S+ 0 0 132 -2,-2.8 2,-0.2 1,-0.3 -3,-0.1 0.540 104.2 20.4-136.3 -45.3 51.3 52.3 -30.3 10 10 A F < - 0 0 82 -3,-0.8 -5,-2.4 -5,-0.1 -1,-0.3 -0.487 67.7-139.2-116.9-170.4 53.3 49.8 -28.3 11 11 A Y E -A 4 0A 124 -7,-0.3 -7,-0.3 -2,-0.2 2,-0.2 -0.990 11.4-121.7-150.1 158.0 56.6 48.0 -29.0 12 12 A K E -A 3 0A 108 -9,-2.7 -9,-3.3 -2,-0.3 2,-0.2 -0.549 26.4-119.2 -98.6 168.1 58.1 44.5 -28.5 13 13 A T E -A 2 0A 91 -11,-0.3 -11,-0.3 -2,-0.2 25,-0.2 -0.674 18.9-150.2-104.0 161.4 61.2 43.5 -26.5 14 14 A b - 0 0 13 -13,-3.4 3,-0.1 -2,-0.2 7,-0.0 -0.984 20.8-111.1-132.8 143.8 64.4 41.8 -27.8 15 15 A P > - 0 0 74 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.072 57.5 -68.7 -62.8 169.1 66.8 39.5 -26.0 16 16 A A T 3 S+ 0 0 111 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.398 126.4 24.3 -62.4 129.9 70.3 40.7 -25.2 17 17 A G T 3 S+ 0 0 54 -2,-0.1 2,-1.0 -3,-0.1 -1,-0.2 0.140 96.7 104.2 101.5 -21.5 72.3 41.1 -28.4 18 18 A K < + 0 0 65 -3,-1.9 22,-0.2 1,-0.2 -1,-0.1 -0.752 26.7 142.3 -97.5 96.1 69.2 41.6 -30.6 19 19 A N + 0 0 53 -2,-1.0 37,-1.0 21,-0.1 2,-0.7 0.282 41.4 104.8-113.3 8.2 68.9 45.4 -31.4 20 20 A L E -BC 39 55B 27 19,-1.6 19,-4.4 35,-0.3 2,-0.7 -0.784 62.2-149.6 -91.2 118.3 67.7 44.9 -34.9 21 21 A a E -BC 38 54B 0 33,-2.8 33,-1.2 -2,-0.7 2,-0.3 -0.762 18.3-156.6 -89.6 115.9 63.9 45.6 -35.2 22 22 A Y E -BC 37 53B 51 15,-0.8 15,-2.1 -2,-0.7 2,-0.4 -0.696 14.7-171.5 -96.5 149.1 62.6 43.4 -38.0 23 23 A K E -BC 36 52B 32 29,-1.9 29,-2.8 -2,-0.3 2,-0.6 -0.967 10.3-157.5-136.8 114.8 59.4 44.0 -40.0 24 24 A M E +BC 35 51B 33 11,-2.9 10,-1.9 -2,-0.4 11,-1.6 -0.840 28.0 139.4-101.2 123.8 58.1 41.3 -42.4 25 25 A F E - C 0 50B 6 25,-1.9 25,-1.3 -2,-0.6 2,-0.6 -0.946 54.8 -91.4-150.3 171.5 55.9 42.0 -45.4 26 26 A M > - 0 0 76 -2,-0.3 3,-4.4 6,-0.2 6,-0.1 -0.773 37.2-125.1 -89.9 118.6 55.3 41.1 -49.1 27 27 A V T 3 S+ 0 0 61 -2,-0.6 -1,-0.1 1,-0.3 21,-0.1 0.784 110.4 70.0 -31.3 -35.3 57.2 43.5 -51.4 28 28 A A T 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 20,-0.0 0.879 101.1 47.4 -56.3 -34.2 53.8 44.2 -53.0 29 29 A T < + 0 0 55 -3,-4.4 3,-0.4 1,-0.2 -1,-0.2 -0.837 66.9 171.5-113.1 97.0 52.9 46.1 -49.8 30 30 A P S S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.971 80.6 27.5 -67.2 -60.4 55.7 48.5 -48.8 31 31 A K S S+ 0 0 185 1,-0.2 -2,-0.0 2,-0.0 -6,-0.0 0.091 112.4 69.3 -94.6 28.0 54.0 50.4 -45.9 32 32 A V + 0 0 94 -3,-0.4 -6,-0.2 -6,-0.1 -1,-0.2 -0.288 66.0 170.1-138.8 55.7 51.5 47.7 -44.8 33 33 A P - 0 0 21 0, 0.0 -8,-0.2 0, 0.0 3,-0.1 -0.095 31.1-143.4 -63.9 164.4 53.7 45.0 -43.2 34 34 A V S S+ 0 0 74 -10,-1.9 2,-0.4 1,-0.3 -9,-0.2 0.716 78.6 24.6-102.5 -27.9 52.1 42.0 -41.3 35 35 A K E +B 24 0B 124 -11,-1.6 -11,-2.9 -29,-0.1 2,-0.3 -0.996 52.7 176.2-141.7 144.2 54.7 41.6 -38.5 36 36 A R E +B 23 0B 40 -2,-0.4 -30,-0.7 -13,-0.3 -13,-0.3 -0.902 29.1 120.2-146.7 112.8 57.3 43.8 -36.8 37 37 A G E -B 22 0B 7 -15,-2.1 -15,-0.8 -2,-0.3 2,-0.4 -0.257 59.7 -47.5-140.5-131.1 59.5 42.5 -33.8 38 38 A b E +B 21 0B 16 -17,-0.3 2,-0.3 -25,-0.2 -17,-0.3 -0.928 45.3 171.1-121.4 145.8 63.2 42.0 -33.0 39 39 A I E -B 20 0B 23 -19,-4.4 -19,-1.6 -2,-0.4 3,-0.2 -0.974 26.5-161.3-145.3 159.3 66.0 40.4 -35.0 40 40 A D S S+ 0 0 93 1,-0.4 2,-0.3 -2,-0.3 -21,-0.1 0.565 92.2 21.4-114.8 -18.8 69.8 40.1 -34.6 41 41 A V S S- 0 0 112 -21,-0.1 -1,-0.4 -23,-0.0 -19,-0.0 -0.905 83.5-130.6-150.1 113.3 70.4 39.2 -38.3 42 42 A c - 0 0 42 -2,-0.3 3,-0.1 -3,-0.2 11,-0.1 -0.485 24.3-127.0 -70.5 136.7 67.9 40.0 -41.0 43 43 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.331 38.6 -79.3 -61.2-159.8 67.0 37.1 -43.3 44 44 A K - 0 0 178 6,-0.0 2,-0.1 0, 0.0 6,-0.0 -0.931 38.6-135.3-114.0 128.0 67.3 37.4 -47.1 45 45 A S + 0 0 77 -2,-0.5 5,-0.2 6,-0.1 2,-0.2 -0.426 31.4 169.1 -77.0 153.9 64.6 39.2 -49.2 46 46 A S B > -D 49 0C 64 3,-2.0 3,-0.8 -2,-0.1 -19,-0.1 -0.618 52.4 -52.0-143.0-157.4 63.4 37.6 -52.4 47 47 A L T 3 S+ 0 0 156 1,-0.2 -2,-0.0 -2,-0.2 3,-0.0 0.908 135.6 11.5 -56.9 -43.3 60.6 37.8 -55.0 48 48 A L T 3 S+ 0 0 120 -21,-0.1 2,-0.3 -22,-0.1 -1,-0.2 -0.089 116.2 77.9-129.1 39.3 57.8 37.7 -52.5 49 49 A V B < +D 46 0C 25 -3,-0.8 -3,-2.0 -23,-0.1 2,-0.3 -0.972 43.8 173.6-149.1 130.7 59.6 38.2 -49.1 50 50 A K E -C 25 0B 77 -25,-1.3 -25,-1.9 -2,-0.3 2,-0.7 -0.840 5.0-176.5-142.2 106.4 60.9 41.4 -47.5 51 51 A Y E -C 24 0B 64 -2,-0.3 2,-0.5 -27,-0.2 -27,-0.2 -0.857 12.4-159.7-103.4 111.5 62.3 41.5 -43.9 52 52 A V E +C 23 0B 53 -29,-2.8 -29,-1.9 -2,-0.7 2,-0.4 -0.747 15.1 176.6 -90.0 130.7 63.3 45.1 -42.8 53 53 A c E -C 22 0B 31 -2,-0.5 2,-0.4 -31,-0.2 -31,-0.2 -0.967 10.1-178.9-138.5 126.1 65.8 45.2 -39.9 54 54 A d E -C 21 0B 31 -33,-1.2 -33,-2.8 -2,-0.4 2,-1.5 -0.944 29.5-129.0-122.3 142.4 67.5 48.2 -38.2 55 55 A N E S+C 20 0B 109 -2,-0.4 -35,-0.3 -35,-0.3 2,-0.3 -0.443 73.6 88.1 -89.9 68.6 70.0 48.0 -35.3 56 56 A T S S- 0 0 63 -2,-1.5 2,-0.6 -37,-1.0 3,-0.4 -0.919 86.9 -76.3-150.2 175.7 68.4 50.6 -33.0 57 57 A D S S- 0 0 82 -2,-0.3 -54,-0.2 1,-0.3 -38,-0.1 -0.664 110.0 -13.6 -81.4 119.6 65.8 50.9 -30.2 58 58 A R S S+ 0 0 109 -56,-2.7 -1,-0.3 -2,-0.6 -55,-0.2 0.983 88.9 142.3 54.7 73.1 62.2 50.8 -31.6 59 59 A d 0 0 35 -3,-0.4 -1,-0.1 -5,-0.2 -2,-0.1 0.263 360.0 360.0-130.0 14.1 63.2 51.3 -35.3 60 60 A N 0 0 21 -38,-0.1 -1,-0.1 -23,-0.1 -38,-0.1 -0.909 360.0 360.0-123.7 360.0 60.8 49.1 -37.3