==== 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 08-JUL-94 1CXN . 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) . 4046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 60.0 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 . 22 36.7 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 . 11 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 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 . 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 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 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 84 0, 0.0 13,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.9 -5.5 -12.2 -2.8 2 2 A K E -A 13 0A 53 11,-0.3 56,-0.4 17,-0.1 2,-0.3 -0.927 360.0-154.0-146.7 168.2 -3.6 -11.0 0.3 3 3 A a E -A 12 0A 1 9,-2.1 9,-1.3 -2,-0.3 2,-0.2 -0.981 17.7-120.1-154.4 141.9 -0.9 -8.4 0.9 4 4 A N E -A 11 0A 37 -2,-0.3 7,-0.3 7,-0.2 56,-0.1 -0.488 21.9-152.9 -76.2 146.5 1.9 -7.7 3.4 5 5 A Q - 0 0 64 5,-1.6 -1,-0.1 3,-0.2 32,-0.1 0.518 62.0 -25.0 -89.5-118.5 1.7 -4.5 5.3 6 6 A L S S- 0 0 61 30,-0.2 4,-0.1 4,-0.1 -2,-0.0 0.826 97.3 -58.2 -64.3-113.2 5.1 -3.1 6.4 7 7 A I S S+ 0 0 147 2,-0.1 3,-0.1 -3,-0.0 -3,-0.0 0.906 99.2 68.6-109.3 -51.8 8.2 -5.4 6.9 8 8 A P S S- 0 0 66 0, 0.0 2,-1.8 0, 0.0 -3,-0.2 -0.228 107.9 -66.5 -65.0 164.3 8.1 -8.4 9.4 9 9 A P S S+ 0 0 135 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.248 90.0 124.2 -51.5 75.7 5.9 -11.3 8.4 10 10 A F + 0 0 68 -2,-1.8 -5,-1.6 -3,-0.1 2,-0.2 -0.588 22.6 144.1-147.6 86.1 2.4 -9.7 8.7 11 11 A W E -A 4 0A 132 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.445 27.4-151.4-105.4 179.8 0.1 -9.7 5.8 12 12 A K E -A 3 0A 68 -9,-1.3 -9,-2.1 -2,-0.2 2,-0.5 -0.993 24.0-105.1-155.8 152.5 -3.7 -10.1 5.6 13 13 A T E -A 2 0A 99 -2,-0.3 -11,-0.3 -11,-0.2 25,-0.1 -0.674 42.6-126.0 -80.9 127.4 -6.3 -11.4 3.2 14 14 A b - 0 0 13 -13,-1.5 3,-0.1 -2,-0.5 7,-0.1 -0.472 24.6-110.2 -76.2 146.8 -8.0 -8.5 1.5 15 15 A P > - 0 0 73 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.298 45.4 -77.4 -72.9 156.3 -11.9 -8.2 1.7 16 16 A K T 3 S+ 0 0 201 1,-0.2 2,-0.9 3,-0.1 0, 0.0 -0.163 120.3 27.5 -52.1 143.9 -14.1 -8.7 -1.3 17 17 A G T 3 S+ 0 0 40 -3,-0.1 2,-1.6 1,-0.0 -1,-0.2 -0.398 109.8 76.1 96.4 -55.2 -14.2 -5.7 -3.6 18 18 A K < + 0 0 90 -3,-1.0 22,-0.2 -2,-0.9 21,-0.1 -0.455 48.5 149.9 -88.2 67.4 -10.7 -4.7 -2.5 19 19 A N + 0 0 77 -2,-1.6 2,-0.3 19,-0.1 -1,-0.2 0.128 61.0 65.5 -84.2 23.9 -8.8 -7.3 -4.5 20 20 A L E -B 39 0B 47 19,-1.9 19,-1.5 -19,-0.1 2,-0.2 -0.824 63.7-165.0-135.3 173.5 -5.9 -4.8 -4.7 21 21 A a E -BC 38 54B 0 33,-1.9 33,-2.3 17,-0.3 2,-0.3 -0.828 2.0-156.3-148.2-173.6 -3.5 -3.2 -2.2 22 22 A Y E -BC 37 53B 20 15,-2.0 15,-1.2 31,-0.3 31,-0.3 -0.951 16.7-139.4-160.0-179.7 -1.1 -0.3 -1.8 23 23 A K E -BC 36 52B 34 29,-0.5 29,-2.3 -2,-0.3 2,-1.2 -0.781 16.2-153.7-154.0 99.7 1.9 1.2 -0.0 24 24 A M E +BC 35 51B 31 11,-1.2 10,-2.0 27,-0.3 11,-1.5 -0.662 22.2 176.9 -84.0 98.6 1.9 5.0 0.7 25 25 A T E -BC 33 50B 7 25,-1.7 25,-2.1 -2,-1.2 2,-0.5 -0.620 32.6-105.0 -94.4 157.4 5.5 6.0 0.8 26 26 A M E -BC 32 49B 62 6,-1.1 6,-1.3 23,-0.2 23,-0.3 -0.791 22.3-170.5 -98.7 129.2 6.4 9.7 1.4 27 27 A R S S+ 0 0 101 21,-1.0 22,-0.2 -2,-0.5 -1,-0.1 0.640 88.0 69.6 -79.0 -22.4 7.7 11.9 -1.4 28 28 A A S S+ 0 0 65 20,-2.3 -1,-0.2 4,-0.1 21,-0.1 0.953 113.7 28.2 -60.1 -48.0 8.5 14.6 1.2 29 29 A A S S- 0 0 38 19,-0.3 -4,-0.0 3,-0.1 0, 0.0 -0.249 121.7 -83.4 -94.7-172.5 11.3 12.2 2.3 30 30 A P S S- 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.995 96.8 -40.8 -61.2 -70.5 12.6 9.9 -0.5 31 31 A M S S- 0 0 117 -3,-0.1 -4,-0.2 18,-0.0 18,-0.1 -0.436 72.0-177.7-155.8 65.6 10.0 7.2 -0.3 32 32 A V E -B 26 0B 60 -6,-1.3 -6,-1.1 1,-0.1 2,-1.1 -0.626 26.7-131.8 -76.7 112.1 9.3 6.6 3.4 33 33 A P E +B 25 0B 58 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 -0.447 46.9 149.2 -66.6 96.2 6.8 3.7 3.7 34 34 A V E + 0 0 83 -10,-2.0 2,-0.2 -2,-1.1 -9,-0.2 0.908 60.6 28.1 -90.9 -70.8 4.2 5.0 6.1 35 35 A K E +B 24 0B 116 -11,-1.5 -11,-1.2 -30,-0.0 2,-0.3 -0.573 57.3 163.2 -95.8 159.9 0.9 3.4 5.1 36 36 A R E +B 23 0B 42 -13,-0.3 2,-0.3 -2,-0.2 -13,-0.2 -0.875 21.4 119.5-167.0 134.2 0.2 0.1 3.4 37 37 A G E -B 22 0B 3 -15,-1.2 -15,-2.0 -2,-0.3 2,-0.5 -0.984 57.0 -54.6-177.5-171.7 -3.1 -1.9 3.1 38 38 A b E +B 21 0B 18 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.2 -0.797 59.4 139.3 -95.9 123.1 -5.9 -3.4 1.2 39 39 A I E -B 20 0B 26 -19,-1.5 -19,-1.9 -2,-0.5 3,-0.1 -0.528 53.1-122.5-134.6-157.8 -7.8 -1.2 -1.3 40 40 A D S S- 0 0 81 1,-0.4 2,-0.3 -2,-0.2 -19,-0.2 0.572 88.2 -9.1-121.9 -62.6 -9.4 -1.3 -4.8 41 41 A V S S- 0 0 104 -21,-0.1 -1,-0.4 12,-0.0 -19,-0.1 -0.997 77.0 -91.7-147.6 152.4 -7.5 1.5 -6.4 42 42 A c - 0 0 36 -2,-0.3 3,-0.1 -21,-0.1 -20,-0.0 -0.304 34.7-141.4 -61.2 134.4 -5.2 4.4 -5.5 43 43 A P - 0 0 74 0, 0.0 2,-0.8 0, 0.0 8,-0.1 -0.017 54.5 -51.3 -80.4-168.0 -6.6 7.8 -4.6 44 44 A K - 0 0 192 1,-0.1 2,-0.0 6,-0.0 -2,-0.0 -0.578 61.7-131.3 -74.1 110.2 -5.0 11.0 -5.7 45 45 A S - 0 0 36 -2,-0.8 2,-0.2 6,-0.1 5,-0.2 -0.348 21.2-130.1 -60.8 135.7 -1.3 10.8 -4.7 46 46 A S B > -D 49 0B 35 3,-1.2 3,-0.5 1,-0.1 -19,-0.2 -0.571 15.3-119.3 -87.3 152.7 -0.2 14.0 -2.9 47 47 A L T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.831 119.8 46.0 -58.8 -29.3 3.0 15.8 -3.9 48 48 A L T 3 S+ 0 0 95 1,-0.2 -20,-2.3 -21,-0.1 -21,-1.0 0.702 119.7 39.9 -86.2 -21.1 4.2 15.1 -0.4 49 49 A I E < -CD 26 46B 39 -3,-0.5 -3,-1.2 -23,-0.3 2,-0.5 -0.981 68.2-148.6-139.4 130.4 3.1 11.4 -0.4 50 50 A K E -C 25 0B 72 -25,-2.1 -25,-1.7 -2,-0.4 2,-0.8 -0.785 8.9-150.8 -93.4 126.5 3.3 8.7 -3.0 51 51 A Y E -C 24 0B 49 -2,-0.5 2,-1.4 -27,-0.2 -27,-0.3 -0.855 8.4-162.4-101.2 105.8 0.6 6.1 -3.0 52 52 A M E +C 23 0B 70 -29,-2.3 -29,-0.5 -2,-0.8 2,-0.2 -0.667 21.1 174.4 -90.8 86.9 2.1 2.9 -4.5 53 53 A c E +C 22 0B 40 -2,-1.4 2,-0.3 -31,-0.3 -31,-0.3 -0.616 6.9 155.7 -94.9 153.0 -0.9 0.8 -5.4 54 54 A d E -C 21 0B 29 -33,-2.3 -33,-1.9 -2,-0.2 6,-0.0 -0.874 44.3-125.3-156.1-176.1 -1.0 -2.5 -7.3 55 55 A N S S+ 0 0 92 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.1 0.548 78.9 95.0-115.3 -20.6 -3.3 -5.5 -7.7 56 56 A T S > S- 0 0 74 1,-0.1 3,-1.3 -35,-0.1 4,-0.3 -0.585 77.7-112.0 -88.9 136.9 -0.7 -8.1 -6.8 57 57 A D T 3 S+ 0 0 55 -2,-0.4 2,-0.7 1,-0.2 -54,-0.2 -0.095 98.3 17.3 -53.1 155.0 -0.1 -9.6 -3.4 58 58 A K T 3 S+ 0 0 132 -56,-0.4 -1,-0.2 1,-0.1 -55,-0.1 0.040 86.4 115.0 67.6 -24.8 3.1 -8.8 -1.7 59 59 A d < 0 0 44 -3,-1.3 -2,-0.1 -2,-0.7 -1,-0.1 0.763 360.0 360.0 -44.7 -31.5 3.8 -5.8 -3.9 60 60 A N 0 0 11 -4,-0.3 -1,-0.3 -56,-0.1 -2,-0.1 -0.454 360.0 360.0 -93.9 360.0 3.4 -3.5 -0.8