==== 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 CYTOTOXIN 17-MAY-90 1CDT . COMPND 2 MOLECULE: CARDIOTOXIN VII4; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA MOSSAMBICA; . AUTHOR B.REES,A.BILWES,J.P.SAMAMA,D.MORAS . 120 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 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 . 43 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 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 . 1 0.8 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 2 0 0 2 2 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 . 2 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 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 59 0, 0.0 13,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 133.8 19.3 14.9 5.4 2 2 A K E -A 13 0A 72 11,-0.2 56,-2.9 53,-0.1 57,-0.4 -0.919 360.0-175.6-107.4 126.2 19.7 18.4 6.7 3 3 A a E -A 12 0A 0 9,-3.3 9,-3.7 -2,-0.5 35,-0.1 -0.961 25.0-114.4-126.0 141.6 17.9 21.2 5.0 4 4 A N E -A 11 0A 13 -2,-0.4 7,-0.3 7,-0.3 18,-0.2 -0.252 28.8-131.1 -69.3 155.5 18.0 25.0 5.7 5 5 A K - 0 0 90 5,-2.3 32,-0.2 2,-0.4 -1,-0.1 -0.393 40.6 -79.9 -99.5 179.0 14.9 26.8 6.9 6 6 A L S S+ 0 0 81 30,-0.4 29,-0.1 1,-0.2 31,-0.1 0.907 133.3 42.9 -47.7 -53.9 13.3 30.0 5.6 7 7 A I S > S- 0 0 115 1,-0.1 3,-1.5 29,-0.1 -2,-0.4 -0.905 92.9-148.8 -96.3 110.0 15.9 32.1 7.5 8 8 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.411 83.2 86.3 -60.3 -7.9 18.9 29.9 6.6 9 9 A I T 3 S+ 0 0 150 -5,-0.1 2,-0.3 2,-0.0 -3,-0.1 0.695 96.1 57.7 -65.9 -15.3 21.0 30.5 9.8 10 10 A A < + 0 0 34 -3,-1.5 -5,-2.3 -5,-0.1 2,-0.3 -0.777 68.4 179.2-113.0 155.1 18.7 27.6 10.8 11 11 A Y E -A 4 0A 100 -7,-0.3 2,-0.3 -2,-0.3 -7,-0.3 -0.959 11.6-149.8-152.2 157.0 18.3 24.1 9.4 12 12 A K E -A 3 0A 71 -9,-3.7 -9,-3.3 -2,-0.3 2,-0.3 -0.945 19.2-120.0-133.9 151.8 16.3 21.0 10.1 13 13 A T E -A 2 0A 99 -2,-0.3 -11,-0.2 -11,-0.2 25,-0.1 -0.686 37.5-124.6 -89.4 148.9 16.8 17.2 9.7 14 14 A b - 0 0 18 -13,-2.6 3,-0.1 -2,-0.3 -1,-0.0 -0.681 10.3-120.2-101.0 151.7 14.2 15.5 7.5 15 15 A P > - 0 0 82 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.039 48.4 -79.5 -68.9-174.0 11.9 12.6 8.0 16 16 A E T 3 S+ 0 0 194 1,-0.2 3,-0.1 3,-0.0 24,-0.1 -0.776 120.0 34.4 -95.6 139.3 12.1 9.5 5.8 17 17 A G T 3 S+ 0 0 39 -2,-0.4 2,-0.6 22,-0.1 -1,-0.2 0.189 100.3 92.0 101.5 -11.0 10.4 9.8 2.4 18 18 A K < + 0 0 75 -3,-0.6 22,-0.3 1,-0.1 -4,-0.1 -0.751 48.9 150.4-114.0 72.0 11.5 13.4 2.6 19 19 A N + 0 0 79 -2,-0.6 2,-0.3 21,-0.3 21,-0.2 0.310 45.9 58.1 -91.6 4.2 14.8 13.0 0.8 20 20 A L E -B 39 0B 1 19,-2.1 19,-2.1 -3,-0.1 2,-0.2 -0.931 67.5-131.5-135.8 159.5 15.5 16.3 -1.0 21 21 A a E -BC 38 54B 0 33,-2.9 33,-1.6 -2,-0.3 2,-0.3 -0.613 29.3-170.4 -97.7 159.8 15.9 19.9 0.1 22 22 A Y E -BC 37 53B 24 15,-1.2 15,-1.7 31,-0.2 2,-0.4 -0.989 22.4-151.3-160.1 151.5 14.0 22.7 -1.7 23 23 A K E -BC 36 52B 55 29,-1.9 29,-1.6 -2,-0.3 2,-0.6 -0.979 14.2-155.6-121.6 131.3 13.7 26.5 -2.1 24 24 A M E -BC 35 51B 31 11,-2.8 10,-3.6 -2,-0.4 11,-1.2 -0.964 21.0-177.5-114.7 110.3 10.3 28.0 -3.1 25 25 A M E -BC 33 50B 13 25,-1.7 25,-2.2 -2,-0.6 2,-0.4 -0.882 27.2-128.1-121.3 147.8 10.7 31.4 -4.8 26 26 A L E > -BC 32 49B 55 6,-2.5 6,-1.2 -2,-0.4 5,-0.5 -0.731 13.3-146.5 -83.9 128.9 8.4 34.1 -6.2 27 27 A A T 5 + 0 0 37 21,-2.7 2,-1.3 -2,-0.4 -1,-0.1 0.596 60.6 125.3 -73.4 -16.4 9.2 35.2 -9.7 28 28 A S T 5S- 0 0 63 20,-0.4 2,-1.5 1,-0.2 3,-0.2 -0.266 92.6 -64.6 -56.8 90.5 8.1 38.7 -8.9 29 29 A K T 5S+ 0 0 171 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.1 -0.447 126.6 37.6 57.8 -53.2 11.2 40.4 -9.9 30 30 A K T 5S- 0 0 157 -2,-1.5 -1,-0.2 -4,-0.1 -3,-0.1 0.619 101.2-108.2 -98.6 -13.2 14.3 39.4 -7.8 31 31 A M < - 0 0 101 -5,-0.5 -4,-0.2 -3,-0.2 -6,-0.0 0.735 46.8-170.5 84.1 104.8 13.7 35.7 -7.1 32 32 A V E -B 26 0B 61 -6,-1.2 -6,-2.5 0, 0.0 2,-0.2 -0.993 22.1-121.2-140.3 128.8 12.8 35.6 -3.4 33 33 A P E +B 25 0B 38 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.423 31.7 166.9 -68.9 132.9 12.4 32.6 -1.1 34 34 A V E S+ 0 0 72 -10,-3.6 2,-0.3 1,-0.4 -9,-0.2 0.440 71.8 18.8-121.3 -13.7 9.0 32.2 0.4 35 35 A K E -B 24 0B 119 -11,-1.2 -11,-2.8 -29,-0.1 -1,-0.4 -0.966 58.5-179.8-159.1 150.3 9.5 28.6 1.7 36 36 A R E +B 23 0B 43 -2,-0.3 -30,-0.4 -13,-0.2 2,-0.3 -0.942 31.4 94.1-154.2 134.4 12.4 26.3 2.4 37 37 A G E -B 22 0B 0 -15,-1.7 -15,-1.2 -2,-0.3 2,-0.3 -0.895 63.3 -43.1-178.3-150.5 12.4 22.7 3.7 38 38 A b E +B 21 0B 13 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.836 53.3 177.6-112.8 149.8 12.4 19.0 3.2 39 39 A I E -B 20 0B 33 -19,-2.1 -19,-2.1 -2,-0.3 -20,-0.1 -0.996 39.0-134.1-160.6 161.9 10.4 17.2 0.6 40 40 A N S S+ 0 0 96 -2,-0.3 -21,-0.3 1,-0.3 2,-0.3 0.983 91.0 4.7 -69.2 -75.4 9.3 14.1 -1.2 41 41 A V S S- 0 0 99 -23,-0.1 -1,-0.3 61,-0.1 61,-0.1 -0.820 83.8 -98.7-120.1 158.1 9.4 15.1 -4.8 42 42 A c - 0 0 11 -2,-0.3 2,-0.1 -3,-0.1 73,-0.1 -0.720 46.1-124.4 -82.7 117.5 10.6 18.3 -6.5 43 43 A P - 0 0 28 0, 0.0 73,-0.2 0, 0.0 8,-0.2 -0.357 20.1-112.9 -69.5 137.8 7.5 20.4 -7.3 44 44 A K - 0 0 145 -2,-0.1 2,-0.2 1,-0.1 37,-0.1 -0.436 38.7-101.8 -71.4 140.2 6.8 21.5 -10.8 45 45 A N - 0 0 19 71,-0.2 5,-0.2 -2,-0.1 2,-0.1 -0.457 26.7-157.1 -74.3 130.2 7.0 25.3 -11.6 46 46 A S - 0 0 63 3,-3.2 70,-0.1 -2,-0.2 5,-0.1 -0.376 39.9 -98.1 -92.3 173.8 4.1 27.6 -11.9 47 47 A A S S+ 0 0 77 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.900 124.2 24.1 -62.0 -45.1 4.3 30.9 -13.8 48 48 A L S S+ 0 0 104 1,-0.2 -21,-2.7 -22,-0.1 2,-0.5 0.576 120.2 60.9 -97.4 -16.1 4.9 32.8 -10.6 49 49 A V E +C 26 0B 32 -23,-0.2 -3,-3.2 -22,-0.1 2,-0.2 -0.941 59.8 178.5-130.2 116.0 6.3 30.1 -8.3 50 50 A K E -C 25 0B 39 -25,-2.2 -25,-1.7 -2,-0.5 2,-0.3 -0.599 9.7-158.5-102.4 161.0 9.5 28.2 -9.1 51 51 A Y E -C 24 0B 47 -27,-0.2 65,-0.6 -2,-0.2 2,-0.4 -0.988 4.4-166.0-144.9 137.9 11.3 25.5 -7.1 52 52 A V E -CD 23 115B 48 -29,-1.6 -29,-1.9 -2,-0.3 2,-0.3 -0.995 14.7-161.5-127.9 129.7 14.9 24.4 -7.1 53 53 A c E +CD 22 114B 0 61,-2.2 61,-1.4 -2,-0.4 2,-0.3 -0.846 15.7 163.8-115.8 151.8 15.8 21.1 -5.4 54 54 A d E -C 21 0B 12 -33,-1.6 -33,-2.9 -2,-0.3 59,-0.1 -0.877 26.9-144.9-151.2 173.3 19.1 19.7 -4.2 55 55 A S + 0 0 14 57,-0.4 2,-0.4 -2,-0.3 51,-0.2 0.168 59.6 101.4-140.4 27.1 20.2 16.9 -1.9 56 56 A T S > S- 0 0 50 1,-0.1 3,-1.7 -55,-0.1 4,-0.2 -0.899 88.6 -78.9-108.8 138.4 23.4 17.8 0.0 57 57 A D T 3 S- 0 0 89 -2,-0.4 -54,-0.2 1,-0.3 -1,-0.1 -0.040 113.1 -5.9 -41.8 129.3 23.1 19.0 3.7 58 58 A R T 3 S+ 0 0 103 -56,-2.9 -1,-0.3 -46,-0.2 -55,-0.2 0.758 86.6 137.7 49.3 40.9 22.0 22.6 3.7 59 59 A d < 0 0 54 -3,-1.7 -2,-0.1 -57,-0.4 -1,-0.1 0.658 360.0 360.0 -82.1 -18.6 22.2 23.1 -0.1 60 60 A N 0 0 15 -4,-0.2 -56,-0.1 -23,-0.1 -37,-0.1 -0.352 360.0 360.0 -86.9 360.0 18.9 25.1 -0.1 61 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 1 B L 0 0 53 0, 0.0 13,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-175.2 9.4 21.9 -21.0 63 2 B K E -G 74 0C 83 11,-0.2 56,-3.9 53,-0.0 57,-0.5 -0.856 360.0-176.7-102.0 131.7 12.6 23.1 -22.5 64 3 B e E -G 73 0C 0 9,-2.7 9,-3.7 -2,-0.5 35,-0.1 -0.986 24.0-116.8-133.2 140.3 15.8 22.0 -20.9 65 4 B N E -G 72 0C 12 -2,-0.4 7,-0.3 7,-0.3 18,-0.2 -0.374 23.6-136.2 -73.3 149.1 19.4 22.9 -21.7 66 5 B K - 0 0 106 5,-2.1 32,-0.2 2,-0.5 5,-0.1 -0.342 46.1 -73.8 -96.9 178.7 22.0 20.3 -22.9 67 6 B L S S+ 0 0 79 30,-0.4 29,-0.1 1,-0.1 31,-0.1 0.897 135.4 40.2 -41.3 -64.2 25.6 20.0 -21.6 68 7 B I S > S- 0 0 115 1,-0.1 3,-0.9 29,-0.1 -2,-0.5 -0.850 94.5-147.9 -87.5 112.7 26.7 23.1 -23.6 69 8 B P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.021 78.9 92.7 -75.5 25.4 23.6 25.1 -22.8 70 9 B I T 3 S+ 0 0 150 -2,-0.2 2,-0.3 -5,-0.0 -3,-0.1 0.393 91.6 53.5 -93.0 -1.2 23.4 27.1 -26.1 71 10 B A S < S- 0 0 41 -3,-0.9 -5,-2.1 -5,-0.1 2,-0.3 -0.920 70.9-175.0-129.5 151.4 21.2 24.2 -27.1 72 11 B Y E -G 65 0C 115 -2,-0.3 -7,-0.3 -7,-0.3 2,-0.3 -0.964 13.4-142.4-147.8 158.7 18.2 22.8 -25.4 73 12 B K E -G 64 0C 83 -9,-3.7 -9,-2.7 -2,-0.3 2,-0.4 -0.741 18.8-124.7-118.5 166.1 15.8 19.9 -25.9 74 13 B T E -G 63 0C 109 -2,-0.3 -11,-0.2 -11,-0.2 25,-0.1 -0.825 41.8-109.5-107.1 147.1 12.0 19.8 -25.4 75 14 B f - 0 0 19 -13,-1.9 4,-0.2 -2,-0.4 3,-0.1 -0.723 14.6-125.2 -99.9 137.6 11.0 17.0 -23.0 76 15 B P > - 0 0 72 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.117 52.3 -77.3 -58.1 162.8 9.3 13.7 -23.4 77 16 B E T 3 S+ 0 0 199 1,-0.3 3,-0.1 3,-0.1 24,-0.0 -0.366 124.7 33.5 -65.0 144.8 6.1 13.0 -21.3 78 17 B G T 3 S+ 0 0 48 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.466 93.4 104.5 85.7 1.6 7.0 12.1 -17.7 79 18 B K < + 0 0 75 -3,-1.4 22,-0.2 -4,-0.2 -1,-0.2 -0.866 34.4 144.0-118.3 84.8 10.0 14.4 -18.2 80 19 B N + 0 0 78 -2,-0.8 2,-0.3 20,-0.4 21,-0.2 0.385 53.5 66.5-104.6 -4.3 8.4 17.2 -16.1 81 20 B L E -E 100 0B 6 19,-1.9 19,-2.2 -3,-0.1 2,-0.3 -0.841 61.7-150.8-124.1 158.0 11.8 18.3 -14.6 82 21 B e E +EF 99 115B 0 33,-2.6 33,-1.6 -2,-0.3 2,-0.3 -0.790 26.5 179.0-117.3 157.8 15.1 19.8 -15.7 83 22 B Y E -EF 98 114B 24 15,-1.6 15,-1.4 -2,-0.3 2,-0.3 -0.992 25.7-139.9-163.3 162.2 18.3 19.0 -13.9 84 23 B K E -EF 97 113B 48 29,-1.6 29,-1.3 -2,-0.3 2,-0.4 -0.865 11.8-155.4-120.9 154.0 22.1 19.6 -13.6 85 24 B M E +EF 96 112B 37 11,-1.6 10,-4.1 -2,-0.3 11,-1.1 -0.943 22.9 176.8-137.8 109.2 24.6 16.9 -12.8 86 25 B M E -EF 94 111B 22 25,-2.7 25,-2.5 -2,-0.4 2,-0.5 -0.889 28.1-128.2-122.2 150.1 27.8 18.2 -11.3 87 26 B L E -EF 93 110B 62 6,-2.3 6,-1.1 -2,-0.3 23,-0.2 -0.833 11.5-143.9 -96.6 127.0 31.0 16.7 -9.9 88 27 B A + 0 0 32 21,-2.7 2,-2.0 -2,-0.5 4,-0.2 0.674 63.5 125.7 -60.4 -21.0 32.1 17.9 -6.4 89 28 B S S S- 0 0 94 20,-0.3 2,-0.8 2,-0.1 -1,-0.1 -0.152 97.4 -41.2 -44.7 71.9 35.6 17.7 -7.7 90 29 B K S S- 0 0 150 -2,-2.0 2,-0.4 2,-0.1 -1,-0.1 -0.885 130.6 -4.5 108.3 -95.0 36.7 21.3 -6.8 91 30 B K S S- 0 0 146 -2,-0.8 -4,-0.1 -4,-0.1 -2,-0.1 -0.965 99.7 -77.8-142.6 115.4 33.7 23.3 -7.8 92 31 B M - 0 0 75 -2,-0.4 -4,-0.2 -4,-0.2 -2,-0.1 0.306 48.9-177.1 -10.9 76.5 30.7 21.9 -9.5 93 32 B V E -E 87 0B 66 -6,-1.1 -6,-2.3 -4,-0.1 2,-0.2 -0.788 32.9-122.1 -83.9 130.0 31.8 21.5 -13.1 94 33 B P E +E 86 0B 39 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.492 35.7 174.5 -74.2 145.2 28.5 20.2 -14.8 95 34 B V E + 0 0 57 -10,-4.1 2,-0.3 1,-0.5 -9,-0.2 0.362 66.1 22.8-133.6 1.1 28.8 16.8 -16.6 96 35 B K E +E 85 0B 110 -11,-1.1 -11,-1.6 -29,-0.1 -1,-0.5 -0.905 59.2 177.4-166.2 142.2 25.3 16.0 -17.6 97 36 B R E +E 84 0B 41 -2,-0.3 -30,-0.4 -13,-0.2 2,-0.3 -0.948 28.3 99.1-151.0 138.5 22.2 18.3 -18.2 98 37 B G E -E 83 0B 1 -15,-1.4 -15,-1.6 -2,-0.3 2,-0.4 -0.955 67.0 -43.9 176.6-159.0 18.8 17.3 -19.4 99 38 B f E -E 82 0B 11 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.3 -0.823 51.3-179.1-100.9 139.6 15.2 16.4 -18.7 100 39 B I E -E 81 0B 29 -19,-2.2 -19,-1.9 -2,-0.4 -20,-0.4 -0.833 29.4-146.0-135.2 169.9 14.5 14.1 -15.7 101 40 B N S S+ 0 0 81 1,-0.5 2,-0.4 -2,-0.3 -21,-0.1 0.747 90.2 21.6-102.9 -43.5 11.3 12.6 -14.2 102 41 B V S S- 0 0 81 -21,-0.1 -1,-0.5 -61,-0.1 -61,-0.1 -0.974 89.1-108.3-128.3 140.5 12.5 12.6 -10.6 103 42 B g - 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