==== 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 07-NOV-94 1CXO . COMPND 2 MOLECULE: CARDIOTOXIN GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA NIGRICOLLIS; . AUTHOR B.GILQUIN,C.ROUMESTAND,S.ZINN-JUSTIN,A.MENEZ,F.TOMA . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4049.0 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 . 20 33.3 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 . 9 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.3 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 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 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,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.1 -5.5 -12.3 -2.9 2 2 A K E -A 13 0A 76 11,-0.3 56,-0.5 17,-0.1 2,-0.3 -0.958 360.0-158.2-145.0 161.8 -3.5 -11.2 0.2 3 3 A a E -A 12 0A 4 9,-2.4 9,-1.1 -2,-0.3 2,-0.2 -0.992 12.5-140.7-150.4 142.0 -1.0 -8.5 1.0 4 4 A N E -A 11 0A 38 -2,-0.3 7,-0.2 7,-0.2 56,-0.2 -0.590 25.4-152.2 -90.3 157.8 1.7 -7.8 3.5 5 5 A Q - 0 0 45 5,-1.3 -1,-0.2 -2,-0.2 32,-0.1 0.571 50.3 -19.1-103.9-110.0 2.0 -4.2 4.8 6 6 A L S S- 0 0 35 30,-0.1 -2,-0.1 28,-0.1 29,-0.1 0.978 108.3 -45.6 -66.6 -86.1 5.0 -2.0 6.2 7 7 A I S S+ 0 0 140 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.833 103.2 70.1-124.4 -43.7 7.8 -4.4 7.4 8 8 A P S S- 0 0 71 0, 0.0 -3,-0.2 0, 0.0 0, 0.0 0.078 100.3 -80.8 -65.3-174.1 7.4 -7.6 9.6 9 9 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.657 79.0 147.0 -66.2 -13.1 5.6 -10.8 8.0 10 10 A F + 0 0 40 -6,-0.1 -5,-1.3 1,-0.0 2,-0.3 0.105 18.3 154.5 -24.4 76.6 2.2 -9.1 8.7 11 11 A W E +A 4 0A 145 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.757 16.8 178.0-114.3 163.4 -0.0 -10.3 5.8 12 12 A K E -A 3 0A 86 -9,-1.1 -9,-2.4 -2,-0.3 2,-0.5 -0.989 34.6-102.4-157.9 155.3 -3.7 -10.7 5.5 13 13 A T E -A 2 0A 91 -2,-0.3 -11,-0.3 -11,-0.2 25,-0.1 -0.708 36.4-139.4 -85.2 126.1 -6.3 -11.8 2.9 14 14 A b - 0 0 8 -13,-1.5 3,-0.1 -2,-0.5 5,-0.0 -0.626 21.5-112.1 -86.2 144.9 -8.1 -8.9 1.3 15 15 A P > - 0 0 78 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.252 44.7 -73.4 -73.2 159.3 -11.9 -9.1 0.6 16 16 A K T 3 S+ 0 0 178 1,-0.2 2,-1.1 2,-0.1 0, 0.0 -0.140 121.8 21.5 -50.5 142.3 -13.6 -9.2 -2.8 17 17 A G T 3 S+ 0 0 36 -3,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.346 115.6 70.7 91.6 -53.3 -13.5 -5.9 -4.6 18 18 A K < + 0 0 91 -2,-1.1 22,-0.1 -3,-0.8 -2,-0.1 -0.229 57.6 131.9 -87.9 45.6 -10.6 -4.8 -2.4 19 19 A N + 0 0 56 -2,-0.8 2,-0.3 19,-0.1 -1,-0.2 0.290 57.0 76.6 -81.2 12.9 -8.4 -7.3 -4.3 20 20 A L E -B 39 0B 53 19,-1.8 19,-1.6 -3,-0.2 2,-0.3 -0.749 63.0-172.8-116.2 165.3 -5.9 -4.4 -4.6 21 21 A a E -BC 38 54B 0 33,-2.1 33,-2.3 17,-0.3 2,-0.3 -0.887 1.2-163.5-148.4 178.0 -3.6 -3.1 -1.9 22 22 A Y E -BC 37 53B 38 15,-2.0 15,-1.4 -2,-0.3 2,-0.2 -0.959 19.3-152.0-159.1 177.2 -1.1 -0.3 -1.3 23 23 A K E -BC 36 52B 43 29,-0.9 29,-1.6 -2,-0.3 2,-0.6 -0.788 23.6-144.2-157.7 104.6 1.7 1.2 0.6 24 24 A M E -BC 35 51B 20 11,-1.0 10,-2.2 27,-0.2 11,-1.7 -0.679 19.0-170.3 -85.1 119.9 1.9 5.0 0.8 25 25 A T E -BC 33 50B 6 25,-2.2 25,-2.0 -2,-0.6 2,-0.5 -0.746 26.5-107.9-103.8 151.5 5.5 6.3 0.8 26 26 A M E -BC 32 49B 67 6,-2.0 6,-1.5 -2,-0.3 23,-0.2 -0.709 16.9-163.8 -87.5 127.2 6.6 9.9 1.4 27 27 A R S S+ 0 0 95 21,-1.7 22,-0.2 -2,-0.5 -1,-0.1 0.596 87.0 74.3 -79.6 -16.1 7.8 11.8 -1.6 28 28 A A S S+ 0 0 67 20,-1.2 -1,-0.2 4,-0.1 21,-0.1 0.955 109.9 30.7 -59.9 -46.8 9.3 14.3 0.8 29 29 A A S S- 0 0 37 19,-0.2 3,-0.0 -3,-0.1 -4,-0.0 -0.348 119.6 -87.5 -94.9-179.7 11.9 11.7 1.4 30 30 A P S S- 0 0 115 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.993 99.5 -35.9 -58.2 -63.5 12.7 9.3 -1.5 31 31 A M S S+ 0 0 110 -3,-0.1 -4,-0.2 -7,-0.0 18,-0.0 -0.389 73.4 177.7-158.6 65.8 9.9 6.8 -0.8 32 32 A V E -B 26 0B 63 -6,-1.5 -6,-2.0 1,-0.0 -4,-0.1 -0.670 26.8-133.7 -81.1 111.3 9.6 6.5 3.0 33 33 A P E +B 25 0B 53 0, 0.0 -8,-0.2 0, 0.0 3,-0.1 -0.362 44.4 146.4 -65.7 137.0 6.7 4.0 3.7 34 34 A V E + 0 0 47 -10,-2.2 2,-0.3 1,-0.4 -9,-0.2 0.515 59.9 39.5-138.3 -38.9 4.2 5.1 6.4 35 35 A K E +B 24 0B 102 -11,-1.7 -11,-1.0 -30,-0.1 -1,-0.4 -0.822 56.8 159.0-119.7 159.8 0.8 3.8 5.4 36 36 A R E +B 23 0B 70 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.2 -0.913 9.4 126.1-173.5 145.3 -0.4 0.5 3.9 37 37 A G E -B 22 0B 8 -15,-1.4 -15,-2.0 -2,-0.3 2,-0.6 -0.994 56.2 -61.7 178.2-176.9 -3.6 -1.6 3.6 38 38 A b E +B 21 0B 32 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.2 -0.805 61.6 151.5 -93.3 123.8 -6.1 -3.4 1.4 39 39 A I E -B 20 0B 22 -19,-1.6 -19,-1.8 -2,-0.6 3,-0.1 -0.558 51.5-125.6-131.3-162.1 -8.0 -1.2 -1.1 40 40 A D S S- 0 0 78 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.632 89.8 -10.4-115.9 -65.2 -9.7 -1.0 -4.5 41 41 A V S S- 0 0 115 -21,-0.1 -1,-0.4 12,-0.0 -19,-0.1 -0.999 83.8 -79.0-148.2 151.4 -7.7 1.8 -6.0 42 42 A c - 0 0 37 -2,-0.3 3,-0.2 -21,-0.1 9,-0.0 -0.190 45.7-135.8 -47.1 112.9 -5.2 4.4 -5.0 43 43 A P - 0 0 74 0, 0.0 2,-0.8 0, 0.0 8,-0.1 0.099 54.6 -51.9 -59.2-178.4 -6.8 7.5 -3.3 44 44 A K - 0 0 169 1,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.444 62.3-145.3 -64.2 104.9 -5.7 11.0 -4.2 45 45 A S - 0 0 41 -2,-0.8 5,-0.2 -3,-0.2 2,-0.2 -0.472 17.5-130.5 -69.5 142.3 -1.9 10.9 -4.0 46 46 A S - 0 0 32 3,-1.0 3,-0.5 -2,-0.1 -19,-0.1 -0.494 18.4-109.2 -94.5 167.3 -0.5 14.2 -2.8 47 47 A L S S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.779 122.6 36.5 -62.2 -27.5 2.3 16.3 -4.2 48 48 A L S S+ 0 0 98 1,-0.2 -21,-1.7 -21,-0.0 -20,-1.2 0.482 117.9 53.7-104.4 -5.4 4.4 15.4 -1.2 49 49 A I E -C 26 0B 41 -3,-0.5 -3,-1.0 -23,-0.2 2,-0.5 -0.986 65.8-153.6-138.3 129.7 3.2 11.8 -0.7 50 50 A K E -C 25 0B 92 -25,-2.0 -25,-2.2 -2,-0.4 2,-0.8 -0.852 9.5-147.3-100.8 124.6 3.1 9.0 -3.3 51 51 A Y E -C 24 0B 48 -2,-0.5 2,-1.4 -27,-0.2 -27,-0.2 -0.820 9.7-154.3 -93.5 112.7 0.6 6.2 -2.8 52 52 A M E +C 23 0B 68 -29,-1.6 -29,-0.9 -2,-0.8 2,-0.2 -0.667 25.2 172.2 -91.4 89.6 2.1 3.0 -4.2 53 53 A c E +C 22 0B 41 -2,-1.4 2,-0.3 -31,-0.2 -31,-0.2 -0.599 3.1 153.2 -94.8 156.5 -0.9 0.9 -5.1 54 54 A d E -C 21 0B 35 -33,-2.3 -33,-2.1 -2,-0.2 6,-0.0 -0.941 42.9-123.4-164.7-178.2 -0.9 -2.4 -7.0 55 55 A N S S+ 0 0 97 -2,-0.3 2,-0.2 -35,-0.2 -1,-0.1 0.654 73.9 89.8-115.1 -23.8 -2.9 -5.6 -7.6 56 56 A T S > S- 0 0 75 1,-0.1 3,-1.2 3,-0.1 4,-0.1 -0.494 80.4-104.0 -85.3 148.4 -0.5 -8.5 -6.7 57 57 A D T 3 S+ 0 0 57 1,-0.2 2,-0.5 -2,-0.2 -54,-0.2 -0.237 106.5 19.2 -59.0 156.2 0.0 -10.1 -3.4 58 58 A K T 3 S+ 0 0 171 -56,-0.5 -1,-0.2 1,-0.1 -55,-0.1 0.042 90.0 115.2 70.5 -25.7 3.2 -9.0 -1.6 59 59 A d < 0 0 47 -3,-1.2 -1,-0.1 -2,-0.5 -2,-0.1 0.391 360.0 360.0 -54.6 1.2 3.4 -5.9 -3.8 60 60 A N 0 0 11 -56,-0.2 -56,-0.2 -4,-0.1 -37,-0.2 -0.577 360.0 360.0-153.8 360.0 2.9 -3.6 -0.8