==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARDIOTOXIN 06-SEP-94 2CDX . COMPND 2 MOLECULE: CARDIOTOXIN CTX I; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR W.JAHNKE,D.F.MIERKE,L.BERESS,H.KESSLER . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 43.3 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 . 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 . 1 1.7 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 . 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 . 0 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 17 0, 0.0 12,-0.3 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 120.6 -0.6 11.4 -0.2 2 2 A K + 0 0 89 10,-2.0 11,-0.2 11,-0.2 10,-0.1 0.615 360.0 178.6-119.8 -55.3 -3.6 9.3 1.3 3 3 A a - 0 0 2 9,-1.0 8,-0.2 8,-0.2 2,-0.2 -0.178 37.8 -40.5 76.6-172.9 -5.4 7.4 -1.6 4 4 A N - 0 0 17 6,-0.2 54,-0.1 33,-0.2 56,-0.1 -0.595 44.4-142.5 -91.0 152.5 -8.3 5.0 -1.6 5 5 A K - 0 0 132 2,-0.3 -1,-0.1 -2,-0.2 32,-0.1 0.078 62.7 -56.6 -90.8-156.9 -9.1 2.1 1.0 6 6 A L S S+ 0 0 61 28,-0.2 29,-0.1 30,-0.1 -2,-0.1 0.878 122.1 77.7 -54.9 -34.0 -10.7 -1.3 -0.3 7 7 A I S S- 0 0 101 1,-0.1 -2,-0.3 2,-0.1 3,-0.0 -0.478 88.2-124.4 -75.7 141.4 -13.7 0.6 -1.8 8 8 A P S S+ 0 0 109 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.857 100.4 56.8 -55.9 -40.1 -13.2 2.5 -5.3 9 9 A I S S+ 0 0 154 -5,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.790 82.2 124.3 -97.7 93.0 -14.4 6.0 -4.0 10 10 A A - 0 0 29 -2,-0.9 -6,-0.2 1,-0.2 -7,-0.1 -0.596 48.0 -24.5-133.7-167.0 -12.0 6.9 -1.0 11 11 A S - 0 0 64 -8,-0.2 -1,-0.2 -2,-0.2 -8,-0.2 0.341 31.5-151.3 -43.7 165.7 -9.5 9.5 0.6 12 12 A K + 0 0 143 -10,-0.1 -10,-2.0 1,-0.1 -9,-1.0 0.861 61.9 8.1-106.0 -75.0 -7.1 12.4 -0.7 13 13 A T + 0 0 101 -12,-0.3 -11,-0.2 -11,-0.2 -1,-0.1 -0.924 45.9 171.7-135.2 124.3 -3.8 13.4 1.2 14 14 A b - 0 0 24 -2,-0.4 4,-0.1 1,-0.2 -12,-0.1 -0.506 48.1 -55.9-106.5 171.9 -1.8 12.0 4.3 15 15 A P S > S- 0 0 100 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.311 83.9 -1.6 -49.0 174.6 1.8 13.2 5.7 16 16 A A T 3 S- 0 0 90 1,-0.2 2,-0.4 3,-0.0 -2,-0.1 0.534 98.8 -51.0 32.8-172.9 5.4 13.5 4.1 17 17 A G T 3 S+ 0 0 73 1,-0.1 2,-1.8 2,-0.0 -1,-0.2 -0.073 79.6 141.6 -82.6 38.7 6.8 12.7 0.5 18 18 A K < + 0 0 45 -3,-0.6 21,-0.4 -2,-0.4 22,-0.2 -0.539 22.2 172.1 -82.9 74.6 5.3 9.1 0.7 19 19 A N + 0 0 67 -2,-1.8 2,-0.3 21,-0.1 21,-0.2 0.738 40.9 94.4 -57.2 -36.7 4.2 9.0 -3.1 20 20 A L E -A 39 0A 19 19,-1.3 19,-2.2 20,-0.2 2,-1.2 -0.482 66.8-142.5 -70.2 123.0 3.1 5.2 -3.4 21 21 A a E -AB 38 54A 1 33,-2.1 33,-0.6 -2,-0.3 17,-0.3 -0.712 35.1-137.8 -82.9 95.3 -0.7 4.5 -3.0 22 22 A Y E -AB 37 53A 42 -2,-1.2 15,-1.4 15,-0.5 2,-0.3 -0.168 22.5-161.2 -61.6 153.2 -0.3 1.1 -1.1 23 23 A K E -AB 36 52A 54 29,-2.6 29,-2.6 13,-0.2 2,-1.8 -0.790 15.7-158.4-134.0 76.7 -2.4 -2.0 -1.7 24 24 A M E -AB 35 51A 34 11,-1.0 10,-3.0 -2,-0.3 11,-1.1 -0.434 15.8-168.4 -63.2 78.7 -1.7 -4.0 1.6 25 25 A F E - B 0 50A 39 -2,-1.8 25,-1.8 25,-1.0 2,-0.3 -0.388 28.0-105.6 -72.4 147.4 -2.5 -7.6 0.4 26 26 A M - 0 0 81 3,-0.6 3,-0.5 4,-0.6 23,-0.3 -0.593 20.9-140.6 -72.0 127.2 -2.9 -10.5 2.9 27 27 A M S S+ 0 0 98 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.885 105.1 45.6 -55.8 -36.4 0.3 -12.9 2.7 28 28 A S S S+ 0 0 106 1,-0.2 -1,-0.2 19,-0.1 2,-0.1 0.731 133.2 14.3 -76.9 -29.6 -2.1 -15.9 3.1 29 29 A D S S+ 0 0 105 -3,-0.5 -3,-0.6 1,-0.1 3,-0.4 -0.520 72.5 178.8-150.8 81.1 -4.8 -14.7 0.5 30 30 A L + 0 0 65 -3,-0.3 -4,-0.6 -5,-0.2 -1,-0.1 0.891 56.6 77.7 -45.8 -76.0 -3.5 -11.8 -1.7 31 31 A T S S+ 0 0 103 -6,-0.1 -1,-0.2 1,-0.1 -6,-0.0 0.488 97.7 38.4 -6.7 -66.9 -6.4 -10.8 -4.3 32 32 A I S S- 0 0 125 -3,-0.4 -6,-0.3 -6,-0.1 -1,-0.1 -0.913 99.7-128.6 -99.0 106.9 -8.8 -8.7 -2.1 33 33 A P - 0 0 15 0, 0.0 -8,-0.3 0, 0.0 3,-0.1 0.117 11.8-132.4 -59.4 166.0 -6.4 -6.6 0.2 34 34 A V S S- 0 0 68 -10,-3.0 2,-0.3 1,-0.3 -28,-0.2 0.920 92.8 -11.2 -76.1 -51.7 -6.3 -6.0 4.1 35 35 A K E -A 24 0A 129 -11,-1.1 -11,-1.0 -30,-0.1 2,-0.3 -0.895 54.5-151.3-143.4 167.5 -5.9 -2.2 3.5 36 36 A R E +A 23 0A 44 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.2 -0.965 49.3 110.3-142.9 119.6 -5.3 0.2 0.6 37 37 A G E -A 22 0A 4 -15,-1.4 -15,-0.5 -2,-0.3 2,-0.4 -0.549 57.8 -36.8-157.8-134.8 -3.5 3.5 1.7 38 38 A b E +A 21 0A 19 -17,-0.3 2,-0.3 -2,-0.2 -17,-0.2 -0.962 49.7 141.5-123.2 138.9 -0.3 5.7 1.7 39 39 A I E -A 20 0A 26 -19,-2.2 -19,-1.3 -21,-0.4 3,-0.1 -0.995 45.1-130.9-164.7 159.0 3.5 4.9 1.8 40 40 A D S S+ 0 0 94 1,-0.4 2,-0.3 -2,-0.3 -20,-0.2 0.909 98.5 3.7 -78.7 -48.1 7.1 5.9 0.4 41 41 A V S S- 0 0 97 -21,-0.1 -1,-0.4 -22,-0.1 -19,-0.1 -0.952 96.8 -90.4-135.8 144.0 8.3 2.3 -0.6 42 42 A c - 0 0 43 -2,-0.3 3,-0.2 -3,-0.1 11,-0.1 -0.515 68.2-121.1 -58.4 105.5 6.1 -0.9 -0.3 43 43 A P - 0 0 43 0, 0.0 2,-1.3 0, 0.0 8,-0.3 0.281 30.1 -66.4 -50.2 177.9 7.2 -1.7 3.4 44 44 A K - 0 0 198 1,-0.1 2,-0.3 6,-0.1 6,-0.0 -0.528 62.7-135.6 -70.1 92.2 8.9 -4.7 5.2 45 45 A N - 0 0 88 -2,-1.3 -1,-0.1 -3,-0.2 5,-0.1 -0.398 20.4-154.7 -60.1 114.1 6.0 -7.2 4.8 46 46 A S > - 0 0 83 -2,-0.3 3,-1.9 1,-0.1 -19,-0.1 -0.084 40.6 -76.4 -80.1-178.0 5.2 -9.2 8.0 47 47 A L T 3 S+ 0 0 143 1,-0.3 -19,-0.1 -20,-0.1 -1,-0.1 0.748 133.2 43.6 -51.7 -28.3 3.5 -12.8 8.4 48 48 A L T 3 S+ 0 0 142 -21,-0.1 2,-0.3 -22,-0.1 -1,-0.3 0.301 112.8 55.4-101.8 7.4 0.0 -11.2 7.6 49 49 A V < + 0 0 9 -3,-1.9 -23,-0.2 -23,-0.3 2,-0.2 -0.974 35.8 177.4-148.1 159.7 1.0 -8.9 4.5 50 50 A K E -B 25 0A 102 -25,-1.8 -25,-1.0 -2,-0.3 2,-0.2 -0.718 37.4-143.9-155.3 86.7 2.6 -8.5 1.0 51 51 A Y E -B 24 0A 48 -8,-0.3 -27,-0.3 -27,-0.2 2,-0.2 -0.404 13.8-165.6 -69.6 127.3 2.2 -4.8 -0.1 52 52 A V E -B 23 0A 48 -29,-2.6 -29,-2.6 -2,-0.2 2,-0.3 -0.606 19.3-176.5 -99.5 162.5 1.5 -3.7 -3.8 53 53 A c E -B 22 0A 43 -31,-0.3 2,-0.3 -2,-0.2 -31,-0.2 -0.980 25.8-165.5-166.2 153.5 1.9 0.1 -4.7 54 54 A d E -B 21 0A 38 -33,-0.6 -33,-2.1 -2,-0.3 2,-1.3 -0.916 32.9-117.4-151.1 117.6 1.7 3.0 -7.4 55 55 A N S S+ 0 0 114 -2,-0.3 2,-0.3 -35,-0.3 -35,-0.2 0.100 76.8 58.8 -30.3 -0.8 3.3 6.6 -7.3 56 56 A T S > S- 0 0 93 -2,-1.3 3,-2.3 -35,-0.1 2,-0.3 -0.968 91.3 -66.6-143.5 160.9 0.3 9.2 -7.3 57 57 A D T 3 S- 0 0 69 -2,-0.3 -44,-0.1 1,-0.3 -2,-0.1 -0.158 117.3 -7.3 -46.3 104.1 -3.0 10.5 -5.4 58 58 A R T 3 S+ 0 0 143 -2,-0.3 -1,-0.3 -21,-0.1 -48,-0.1 0.555 87.5 136.0 82.3 16.8 -5.7 7.7 -5.6 59 59 A d < 0 0 53 -3,-2.3 -2,-0.1 -5,-0.3 -4,-0.1 0.765 360.0 360.0 -63.8 -26.3 -3.7 5.4 -8.1 60 60 A N 0 0 35 -4,-0.2 -1,-0.2 -6,-0.2 -38,-0.0 -0.219 360.0 360.0 -69.8 360.0 -4.7 2.1 -6.1