==== 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 CARDIOTOXIN 12-MAR-94 1CRE . COMPND 2 MOLECULE: CARDIOTOXIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR R.BHASKARAN,C.C.HUANG,K.D.CHANG,C.YU . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 41.7 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 . 12 20.0 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 . 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 . 0 0.0 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 . 1 1.7 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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,-2.2 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 33.7 11.7 -0.6 -3.9 2 2 A K + 0 0 128 58,-1.2 58,-1.0 11,-0.3 11,-0.3 -0.804 360.0 161.6 -99.6 102.2 10.9 2.9 -2.6 3 3 A a - 0 0 6 -2,-0.9 9,-2.8 9,-0.3 8,-0.4 -0.470 30.7-123.5-108.5-175.7 7.4 2.9 -1.0 4 4 A N - 0 0 33 7,-0.3 2,-0.7 6,-0.2 6,-0.1 -0.965 13.5-127.7-131.0 148.8 5.6 5.3 1.4 5 5 A K S >S- 0 0 97 -2,-0.3 5,-1.2 2,-0.1 4,-0.4 -0.831 73.4 -39.0 -98.4 118.3 4.0 4.6 4.8 6 6 A L T 5S- 0 0 80 -2,-0.7 29,-0.1 30,-0.2 5,-0.1 -0.385 84.7 -85.1 66.3-144.4 0.4 5.9 5.1 7 7 A V T 5S+ 0 0 56 27,-0.2 -1,-0.1 3,-0.1 -2,-0.1 0.657 121.3 48.2-126.1 -51.4 -0.0 9.3 3.3 8 8 A P T 5S+ 0 0 113 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.215 123.8 36.9 -78.6 15.7 1.0 12.1 5.6 9 9 A L T 5S- 0 0 115 -4,-0.4 -3,-0.2 0, 0.0 -2,-0.0 0.568 80.9-174.2-134.4 -40.2 4.2 10.2 6.4 10 10 A F < - 0 0 127 -5,-1.2 -6,-0.2 -6,-0.1 -3,-0.1 0.031 14.0-143.0 59.9 177.7 5.4 8.5 3.3 11 11 A Y - 0 0 127 -8,-0.4 2,-0.3 1,-0.1 -7,-0.3 0.263 5.6-140.3-140.9 -90.1 8.4 6.1 3.7 12 12 A K - 0 0 162 -9,-2.8 2,-0.5 -11,-0.1 -9,-0.3 -0.809 61.2 -7.6 158.2-113.1 11.4 5.6 1.3 13 13 A T + 0 0 65 -11,-0.3 -11,-0.3 -2,-0.3 -9,-0.0 -0.977 47.9 179.5-122.8 124.0 13.1 2.4 0.4 14 14 A b + 0 0 21 -13,-2.2 4,-0.3 -2,-0.5 2,-0.1 -0.441 19.0 162.1-125.0 63.5 12.3 -0.9 2.2 15 15 A P + 0 0 68 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.443 43.3 43.5 -78.5 150.3 14.5 -3.5 0.6 16 16 A A S S+ 0 0 87 2,-0.5 2,-2.5 -2,-0.1 3,-0.1 0.353 108.1 28.7 87.9 135.9 15.2 -6.8 2.4 17 17 A G S S+ 0 0 76 1,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.235 120.3 53.9 77.4 -55.2 12.5 -8.9 4.2 18 18 A K - 0 0 105 -2,-2.5 -2,-0.5 -4,-0.3 22,-0.2 -0.352 56.6-175.0-100.1-174.9 9.8 -7.5 1.9 19 19 A N + 0 0 96 20,-1.3 2,-0.3 1,-0.4 21,-0.2 0.420 62.5 34.5-154.8 -23.1 9.6 -7.6 -1.9 20 20 A L E S-A 39 0A 37 19,-2.2 19,-1.4 40,-0.1 -1,-0.4 -0.824 73.6-109.0-133.6 176.4 6.5 -5.6 -3.1 21 21 A a E -AB 38 54A 0 33,-2.8 33,-0.5 38,-0.5 2,-0.3 -0.623 29.5-167.0-101.1 163.4 4.3 -2.6 -2.1 22 22 A Y E - B 0 53A 36 15,-1.6 2,-0.4 31,-0.3 31,-0.3 -0.889 7.6-167.0-157.5 123.4 0.8 -3.0 -0.6 23 23 A K E - B 0 52A 38 29,-2.2 29,-3.5 -2,-0.3 2,-0.4 -0.889 5.8-172.7-111.2 141.0 -2.0 -0.4 -0.1 24 24 A M E +CB 35 51A 49 11,-2.5 11,-0.6 -2,-0.4 2,-0.2 -0.975 26.7 118.0-135.4 124.5 -5.1 -1.1 2.0 25 25 A F E - B 0 50A 23 25,-1.9 25,-1.7 -2,-0.4 2,-0.3 -0.868 41.0-126.5-160.6-166.1 -8.1 1.2 2.3 26 26 A M E - B 0 49A 100 6,-0.4 6,-0.5 23,-0.3 23,-0.2 -0.906 41.2 -66.3-148.2 176.3 -11.9 1.5 1.6 27 27 A V + 0 0 90 21,-0.7 20,-0.0 -2,-0.3 0, 0.0 -0.386 64.8 131.0 -67.6 145.2 -14.5 3.6 -0.1 28 28 A S S S- 0 0 91 -2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.234 79.0 -15.3-158.2 -60.9 -14.9 7.1 1.4 29 29 A N S S- 0 0 135 3,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.647 129.8 -16.7-123.8 -61.5 -14.8 10.0 -1.1 30 30 A L S S- 0 0 145 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 -0.329 108.7 -67.0-147.0 59.5 -13.4 9.0 -4.5 31 31 A T S S- 0 0 104 1,-0.2 -4,-0.1 -5,-0.0 -6,-0.0 0.985 75.3-178.8 54.6 72.1 -11.5 5.7 -4.2 32 32 A V - 0 0 68 -6,-0.5 -6,-0.4 2,-0.0 2,-0.2 -0.896 26.8-124.4-112.3 139.4 -8.7 7.1 -2.0 33 33 A P + 0 0 44 0, 0.0 -8,-0.1 0, 0.0 3,-0.1 -0.529 32.6 166.0 -76.5 135.8 -5.7 5.1 -0.6 34 34 A V + 0 0 74 1,-0.3 2,-0.4 -2,-0.2 -9,-0.2 0.597 60.9 41.1-124.4 -26.9 -5.3 5.2 3.2 35 35 A K B +C 24 0A 102 -11,-0.6 -11,-2.5 -29,-0.1 -1,-0.3 -0.976 58.3 158.7-129.4 141.2 -2.8 2.5 4.0 36 36 A R + 0 0 46 -2,-0.4 -30,-0.2 -13,-0.3 -13,-0.2 -0.859 4.4 144.0-144.5 179.3 0.4 1.3 2.3 37 37 A G - 0 0 18 -2,-0.3 -15,-1.6 -15,-0.1 2,-0.6 -0.777 48.9 -91.4 156.6 159.4 3.6 -0.6 3.1 38 38 A b E +A 21 0A 19 -17,-0.2 -17,-0.3 -2,-0.2 2,-0.2 -0.844 60.1 135.0 -99.4 122.7 6.1 -3.1 1.7 39 39 A I E -A 20 0A 71 -19,-1.4 -19,-2.2 -2,-0.6 -20,-1.3 -0.717 55.7-119.9-145.2-164.1 5.2 -6.7 2.3 40 40 A D S S+ 0 0 87 -2,-0.2 2,-0.4 1,-0.2 -19,-0.1 0.361 90.0 63.0-130.3 3.1 5.1 -10.1 0.4 41 41 A V + 0 0 96 -21,-0.1 -1,-0.2 1,-0.1 -19,-0.0 -0.911 41.5 145.7-133.9 110.4 1.4 -11.1 0.7 42 42 A c + 0 0 26 -2,-0.4 2,-0.1 -3,-0.1 11,-0.1 -0.097 31.6 136.6-133.9 37.4 -1.3 -8.9 -0.8 43 43 A P + 0 0 75 0, 0.0 -2,-0.0 0, 0.0 8,-0.0 -0.416 49.1 23.0 -82.3 159.5 -3.8 -11.6 -1.9 44 44 A K - 0 0 173 -2,-0.1 7,-0.3 6,-0.0 2,-0.2 0.187 57.5-171.7 70.6 164.4 -7.6 -11.4 -1.4 45 45 A N - 0 0 108 5,-0.1 2,-0.2 -21,-0.0 5,-0.1 -0.506 5.6-153.3-157.6-131.5 -9.6 -8.2 -1.0 46 46 A S - 0 0 77 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.768 35.3 -85.0 178.7-130.4 -13.3 -7.5 -0.1 47 47 A A S S+ 0 0 80 -2,-0.2 -20,-0.2 2,-0.1 3,-0.2 0.422 116.0 29.4-144.2 -23.9 -15.9 -4.8 -0.7 48 48 A L S S+ 0 0 118 1,-0.3 2,-0.7 -22,-0.1 -21,-0.7 0.789 129.2 29.3-107.9 -51.8 -15.2 -2.3 2.1 49 49 A V E S-B 26 0A 49 -23,-0.2 2,-0.3 -4,-0.1 -23,-0.3 -0.865 76.4-175.6-113.3 100.0 -11.5 -2.6 2.8 50 50 A K E -B 25 0A 79 -25,-1.7 -25,-1.9 -2,-0.7 2,-0.5 -0.733 13.4-147.1 -96.4 144.8 -9.7 -3.7 -0.4 51 51 A Y E -B 24 0A 75 -7,-0.3 2,-0.3 -2,-0.3 -27,-0.3 -0.925 13.6-168.9-112.5 128.6 -5.9 -4.5 -0.4 52 52 A V E -B 23 0A 63 -29,-3.5 -29,-2.2 -2,-0.5 2,-0.5 -0.823 8.8-149.8-113.5 154.2 -3.8 -3.7 -3.5 53 53 A c E -B 22 0A 48 -2,-0.3 -31,-0.3 -31,-0.3 2,-0.2 -0.941 11.0-169.8-128.1 116.4 -0.2 -4.8 -4.1 54 54 A d E +B 21 0A 31 -33,-0.5 -33,-2.8 -2,-0.5 3,-0.1 -0.573 10.4 177.1 -97.4 164.6 2.2 -2.8 -6.3 55 55 A N + 0 0 83 -35,-0.2 5,-0.1 -2,-0.2 2,-0.1 -0.001 53.8 74.6-159.7 42.0 5.6 -4.0 -7.5 56 56 A T S S- 0 0 105 3,-0.5 -1,-0.1 1,-0.3 2,-0.1 -0.545 96.4 -69.3-162.4 94.2 7.3 -1.3 -9.7 57 57 A D S S+ 0 0 116 1,-0.2 2,-4.3 -2,-0.1 -1,-0.3 -0.374 119.6 52.4 63.8-133.3 8.9 1.9 -8.5 58 58 A R S S+ 0 0 226 1,-0.3 -1,-0.2 -2,-0.1 -54,-0.1 0.608 122.9 42.3 -14.1 -11.6 6.5 4.6 -7.1 59 59 A d 0 0 13 -2,-4.3 -3,-0.5 -56,-0.1 -38,-0.5 -0.452 360.0 360.0-144.7 71.1 5.4 1.6 -5.0 60 60 A N 0 0 11 -58,-1.0 -58,-1.2 -48,-0.2 -46,-0.1 -0.930 360.0 360.0 113.4 360.0 8.3 -0.5 -3.7