==== 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 1CRF . 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) . 4650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 50.0 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 . 16 26.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.7 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 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 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 0 102 0, 0.0 13,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 46.5 12.3 0.2 -4.0 2 2 A K E +A 13 0A 152 58,-0.6 58,-2.2 11,-0.2 11,-0.3 -0.911 360.0 163.4-112.7 135.8 10.9 3.3 -2.2 3 3 A a E -A 12 0A 2 9,-0.5 9,-1.8 -2,-0.4 8,-0.8 -0.859 29.0-122.4-140.9 176.6 7.4 3.4 -0.7 4 4 A N - 0 0 61 7,-0.3 2,-0.6 -2,-0.3 7,-0.2 -0.941 16.9-130.9-124.9 147.7 5.3 5.5 1.7 5 5 A K S >>S- 0 0 70 -2,-0.4 2,-1.5 2,-0.1 4,-0.8 -0.848 77.7 -39.8 -99.2 119.9 3.5 4.4 4.9 6 6 A L T 45S- 0 0 78 -2,-0.6 -2,-0.1 30,-0.6 31,-0.1 -0.438 96.6 -86.4 65.3 -93.2 -0.1 5.7 5.0 7 7 A V T 45S+ 0 0 75 -2,-1.5 -1,-0.1 3,-0.1 3,-0.1 0.090 118.7 53.5-172.4 -59.7 0.6 9.2 3.5 8 8 A P T 45S+ 0 0 118 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 0.344 115.1 47.2 -76.3 7.5 1.7 11.8 6.1 9 9 A L T <5S- 0 0 111 -4,-0.8 -3,-0.2 0, 0.0 0, 0.0 0.631 86.7-166.8-119.3 -27.2 4.4 9.5 7.3 10 10 A F < - 0 0 142 -5,-0.8 -6,-0.3 -3,-0.1 -3,-0.1 0.053 15.9-135.8 58.8 177.1 6.0 8.3 4.0 11 11 A Y - 0 0 93 -8,-0.8 2,-0.9 -7,-0.2 -7,-0.3 0.544 14.5-155.9-137.7 -40.4 8.4 5.3 4.1 12 12 A K E -A 3 0A 157 -9,-1.8 -9,-0.5 2,-0.0 2,-0.4 -0.779 62.1 -16.6 93.6-100.7 11.5 6.1 2.0 13 13 A T E +A 2 0A 56 -2,-0.9 -11,-0.2 -11,-0.3 -9,-0.0 -0.993 48.1 174.2-143.7 136.7 13.0 2.7 0.9 14 14 A b + 0 0 17 -13,-1.7 4,-0.3 -2,-0.4 -12,-0.1 -0.376 25.2 155.4-139.4 61.1 12.5 -0.9 2.2 15 15 A P + 0 0 58 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.283 45.8 36.4 -80.6 168.7 14.4 -3.2 -0.1 16 16 A A S S+ 0 0 93 1,-0.2 2,-1.4 2,-0.1 3,-0.1 0.578 112.1 35.6 59.8 135.2 15.7 -6.6 0.8 17 17 A G S S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 -0.266 112.3 66.0 86.2 -53.3 13.6 -8.7 3.2 18 18 A K - 0 0 92 -2,-1.4 -1,-0.2 -4,-0.3 22,-0.2 -0.080 63.4-161.4 -86.3-166.7 10.3 -7.4 1.7 19 19 A N - 0 0 110 20,-1.8 2,-0.3 1,-0.5 21,-0.2 0.463 61.3 -3.2-147.8 -36.6 9.1 -8.1 -1.9 20 20 A L E -B 39 0B 35 19,-2.4 19,-1.8 40,-0.1 -1,-0.5 -0.926 65.4-105.0-152.5 178.5 6.5 -5.6 -2.9 21 21 A a E -BC 38 54B 0 33,-1.6 33,-1.1 38,-0.5 2,-0.3 -0.579 31.3-168.7-104.7 171.9 4.4 -2.6 -1.7 22 22 A Y E -BC 37 53B 23 15,-1.9 15,-1.7 31,-0.3 2,-0.3 -0.984 9.7-158.7-160.7 149.2 0.7 -2.7 -0.8 23 23 A K E -BC 36 52B 44 29,-1.8 29,-1.5 -2,-0.3 2,-0.4 -0.942 5.4-167.4-130.0 152.6 -2.2 -0.3 -0.0 24 24 A M E +BC 35 51B 69 11,-1.8 11,-1.6 -2,-0.3 2,-0.3 -0.962 26.6 122.7-144.5 125.6 -5.4 -0.8 1.9 25 25 A F E - C 0 50B 17 25,-2.3 25,-1.8 -2,-0.4 2,-0.2 -0.877 35.4-136.0-159.3-168.5 -8.5 1.5 2.0 26 26 A M E - C 0 49B 81 6,-0.3 6,-0.5 23,-0.3 2,-0.3 -0.846 51.2 -45.5-148.9-174.5 -12.2 1.7 1.4 27 27 A V S S+ 0 0 117 21,-1.1 21,-0.0 -2,-0.2 22,-0.0 -0.423 71.0 138.6 -62.1 121.5 -14.9 4.0 -0.2 28 28 A S S S- 0 0 84 -2,-0.3 -1,-0.2 4,-0.0 -3,-0.0 0.478 74.7 -29.0-128.6 -81.2 -14.2 7.5 1.1 29 29 A N S S- 0 0 145 3,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.768 128.1 -20.2-111.6 -52.6 -14.5 10.5 -1.2 30 30 A L S S- 0 0 140 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 -0.117 112.3 -62.4-153.3 45.4 -13.7 9.2 -4.7 31 31 A T S S+ 0 0 88 1,-0.1 -4,-0.1 -5,-0.1 -6,-0.0 0.989 77.9 168.7 71.1 73.3 -11.7 5.9 -4.4 32 32 A V - 0 0 64 -6,-0.5 -6,-0.3 1,-0.0 -1,-0.1 -0.845 36.6-105.2-119.2 158.1 -8.5 7.0 -2.5 33 33 A P + 0 0 76 0, 0.0 -8,-0.1 0, 0.0 3,-0.1 -0.452 30.1 179.9 -77.4 148.2 -5.7 5.1 -0.8 34 34 A V + 0 0 64 1,-0.4 2,-0.3 -10,-0.2 -9,-0.2 0.737 61.5 12.1-117.4 -51.4 -5.6 5.0 3.0 35 35 A K E +B 24 0B 68 -11,-1.6 -11,-1.8 -28,-0.1 -1,-0.4 -0.869 60.6 177.3-127.5 163.2 -2.6 3.0 4.2 36 36 A R E +B 23 0B 38 -2,-0.3 -30,-0.6 -13,-0.3 2,-0.3 -0.993 10.1 142.9-158.9 161.9 0.5 1.5 2.5 37 37 A G E -B 22 0B 7 -15,-1.7 -15,-1.9 -2,-0.3 2,-0.5 -0.977 46.6 -87.7 177.1 178.1 3.7 -0.4 3.3 38 38 A b E +B 21 0B 11 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.2 -0.926 54.9 136.3-113.5 127.7 6.0 -3.1 1.9 39 39 A I E -B 20 0B 78 -19,-1.8 -19,-2.4 -2,-0.5 -20,-1.8 -0.529 50.4-120.6-141.5-151.1 5.4 -6.8 2.5 40 40 A D S S+ 0 0 77 1,-0.3 2,-0.6 -21,-0.2 -1,-0.1 0.558 92.0 44.7-135.1 -33.1 5.4 -10.1 0.6 41 41 A V + 0 0 116 1,-0.1 -1,-0.3 -21,-0.1 -22,-0.0 -0.922 56.0 141.3-121.3 108.9 1.9 -11.7 0.8 42 42 A c + 0 0 20 -2,-0.6 -1,-0.1 -3,-0.1 9,-0.0 -0.079 26.5 130.1-140.1 42.3 -1.0 -9.3 0.2 43 43 A P + 0 0 88 0, 0.0 -2,-0.0 0, 0.0 8,-0.0 -0.042 39.4 60.1 -81.1-169.8 -3.6 -11.2 -1.8 44 44 A K - 0 0 170 2,-0.0 7,-0.3 6,-0.0 2,-0.2 0.137 53.4-167.9 72.4 164.0 -7.4 -11.4 -1.0 45 45 A N - 0 0 110 5,-0.1 5,-0.1 1,-0.1 2,-0.1 -0.514 9.7-143.2-155.5-134.9 -9.8 -8.4 -0.7 46 46 A S - 0 0 60 -2,-0.2 4,-0.1 1,-0.0 -1,-0.1 -0.327 33.1 -97.0-169.1-102.2 -13.3 -7.9 0.6 47 47 A A S S+ 0 0 95 2,-0.4 3,-0.1 -2,-0.1 -1,-0.0 0.183 111.7 31.4-173.1 -38.9 -16.1 -5.6 -0.8 48 48 A L S S+ 0 0 129 1,-0.3 -21,-1.1 -22,-0.1 2,-0.4 0.614 125.0 41.6-107.3 -19.4 -16.1 -2.4 1.2 49 49 A V E S-C 26 0B 37 -23,-0.2 2,-0.4 2,-0.0 -2,-0.4 -0.977 72.4-162.6-131.3 121.1 -12.4 -2.3 1.8 50 50 A K E -C 25 0B 91 -25,-1.8 -25,-2.3 -2,-0.4 2,-0.5 -0.843 5.7-171.1-106.8 141.3 -9.8 -3.2 -0.8 51 51 A Y E +C 24 0B 58 -2,-0.4 -27,-0.2 -7,-0.3 2,-0.2 -0.920 13.8 174.8-130.6 106.5 -6.2 -4.2 -0.2 52 52 A V E -C 23 0B 72 -29,-1.5 -29,-1.8 -2,-0.5 2,-0.4 -0.613 21.3-138.8-107.5 171.3 -3.9 -4.5 -3.2 53 53 A c E -C 22 0B 34 -31,-0.3 -31,-0.3 -2,-0.2 2,-0.2 -0.975 12.0-157.4-134.0 122.8 -0.2 -5.2 -3.5 54 54 A d E -C 21 0B 25 -33,-1.1 -33,-1.6 -2,-0.4 3,-0.1 -0.531 7.6-149.9 -93.0 163.9 2.1 -3.4 -6.1 55 55 A N - 0 0 101 1,-0.4 2,-0.3 -35,-0.2 -1,-0.1 0.873 61.6 -39.0 -98.6 -63.6 5.4 -4.8 -7.3 56 56 A T S S+ 0 0 53 1,-0.2 -1,-0.4 4,-0.2 4,-0.2 -0.951 97.0 56.4-155.4 174.2 7.6 -1.8 -8.2 57 57 A D S S+ 0 0 138 3,-1.5 -1,-0.2 -2,-0.3 -2,-0.1 0.712 115.4 18.3 65.0 120.7 7.5 1.7 -9.8 58 58 A R S S+ 0 0 240 2,-0.1 -1,-0.1 -3,-0.1 -4,-0.0 0.679 138.0 42.0 63.5 11.2 5.0 4.1 -8.2 59 59 A d 0 0 14 1,-0.6 -38,-0.5 -57,-0.1 -56,-0.2 -0.249 360.0 360.0 174.8 86.7 5.1 1.7 -5.3 60 60 A N 0 0 12 -58,-2.2 -3,-1.5 -4,-0.2 -58,-0.6 -0.380 360.0 360.0 58.6 360.0 8.4 0.2 -4.0