==== 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 TOXIN 30-MAR-99 1CHV . COMPND 2 MOLECULE: PROTEIN (CARDIOTOXIN ANALOGUE V); . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR G.JAYARAMAN,T.K.S.KUMAR,C.C.TSAI,C.YU . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 46.7 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 . 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 . 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 . 13 21.7 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 . 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 1 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 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 S L 0 0 45 0, 0.0 2,-1.4 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 -64.7 18.1 56.6 23.4 2 2 S K + 0 0 110 11,-0.1 11,-0.3 9,-0.1 2,-0.3 -0.650 360.0 154.1 -74.0 100.6 14.5 57.7 23.0 3 3 S a B -A 12 0A 0 9,-2.5 2,-1.0 -2,-1.4 9,-0.9 -0.844 57.6 -83.1-153.8 156.0 13.7 54.2 24.4 4 4 S N - 0 0 14 -2,-0.3 2,-0.7 7,-0.2 6,-0.1 -0.633 35.9-170.4 -74.1 98.3 11.5 51.7 26.2 5 5 S K S S- 0 0 89 -2,-1.0 4,-0.3 4,-0.5 2,-0.3 -0.874 82.7 -23.7 -98.1 103.8 12.2 52.3 29.9 6 6 S L S S- 0 0 108 30,-2.3 30,-0.1 -2,-0.7 28,-0.0 -0.629 106.6 -89.4 64.2-138.3 10.4 49.3 31.2 7 7 S V S S+ 0 0 47 -2,-0.3 -1,-0.1 3,-0.1 -2,-0.1 0.732 105.8 58.6-132.4 -60.6 7.9 48.6 28.3 8 8 S P S S+ 0 0 83 0, 0.0 2,-1.1 0, 0.0 -2,-0.1 0.670 96.5 68.6 -69.7 -10.1 4.4 50.0 28.0 9 9 S L S S- 0 0 124 -4,-0.3 -4,-0.5 3,-0.0 -6,-0.0 -0.427 92.1-159.8 -84.7 63.1 5.7 53.6 28.0 10 10 S F - 0 0 114 -2,-1.1 -6,-0.1 -6,-0.1 -3,-0.1 -0.214 43.2 -17.5 -73.0 128.4 7.2 52.8 24.7 11 11 S Y S S+ 0 0 153 1,-0.2 2,-0.3 46,-0.1 -7,-0.2 0.963 73.5 138.2 45.1 110.6 10.0 55.0 23.5 12 12 S K B -A 3 0A 114 -9,-0.9 -9,-2.5 -11,-0.2 -1,-0.2 -0.960 54.6 -63.1-159.4 173.8 10.8 58.4 24.9 13 13 S T - 0 0 100 -11,-0.3 -11,-0.1 -2,-0.3 -1,-0.0 0.036 41.0-146.3 -60.3 171.4 14.0 60.4 26.0 14 14 S b - 0 0 18 2,-0.1 2,-0.6 4,-0.1 4,-0.1 -0.861 28.0 -91.5-142.5 148.7 16.6 59.4 28.8 15 15 S P - 0 0 94 0, 0.0 2,-0.0 0, 0.0 4,-0.0 -0.716 65.3 -53.2 -88.3 121.7 18.7 61.6 31.2 16 16 S A S S- 0 0 98 -2,-0.6 2,-2.0 1,-0.2 -2,-0.1 -0.241 113.8 -3.4 80.6-144.0 22.1 62.9 30.5 17 17 S G S S+ 0 0 44 -2,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.480 85.2 127.7 -91.2 67.2 25.0 60.6 29.6 18 18 S K + 0 0 72 -2,-2.0 22,-0.2 1,-0.2 -4,-0.1 -0.948 41.3 177.9-121.6 112.7 23.0 57.4 29.9 19 19 S N + 0 0 87 -2,-0.4 2,-0.2 20,-0.2 -1,-0.2 0.954 36.3 42.5-107.5 -65.4 23.9 56.2 26.6 20 20 S L S S- 0 0 68 20,-0.1 2,-0.9 19,-0.1 19,-0.8 -0.598 74.0-117.1 -92.1 150.1 22.9 52.8 25.1 21 21 S a E -B 38 0B 0 33,-2.2 17,-0.2 -2,-0.2 -17,-0.1 -0.804 41.1-165.9 -97.9 102.0 19.4 51.3 25.5 22 22 S Y E -B 37 0B 35 -2,-0.9 15,-2.3 15,-0.8 2,-0.2 0.086 12.4-174.3 -68.9 171.4 19.8 48.1 27.5 23 23 S K E -B 36 0B 4 13,-0.3 29,-1.1 19,-0.2 2,-0.6 -0.693 35.2-109.8-177.4 139.4 17.6 45.1 28.1 24 24 S M E - C 0 51B 42 11,-2.7 10,-2.1 -2,-0.2 2,-1.7 -0.518 37.9-149.7 -67.1 99.4 17.7 41.9 30.2 25 25 S F E +BC 33 50B 46 25,-2.5 25,-0.6 -2,-0.6 2,-0.4 -0.476 22.5 174.7 -88.4 76.7 18.2 39.3 27.4 26 26 S M E +B 32 0B 72 -2,-1.7 6,-2.1 6,-1.1 4,-0.2 -0.639 6.0 178.3 -78.6 129.0 16.4 36.1 28.7 27 27 S V + 0 0 60 -2,-0.4 3,-0.3 4,-0.2 -1,-0.2 0.779 53.8 86.7 -89.0 -34.0 16.4 33.5 25.9 28 28 S S S S+ 0 0 96 1,-0.2 3,-0.1 20,-0.1 -1,-0.1 0.768 94.1 23.4 -57.3 -62.6 14.7 30.6 27.7 29 29 S N S S- 0 0 115 1,-0.3 2,-0.2 3,-0.1 -1,-0.2 0.720 139.5 -38.6 -75.9 -31.9 10.9 30.7 27.4 30 30 S K S S- 0 0 170 -3,-0.3 2,-1.4 -4,-0.2 -1,-0.3 -0.729 92.2 -63.8-169.9 169.5 10.8 32.9 24.2 31 31 S M + 0 0 124 -2,-0.2 -4,-0.2 -3,-0.1 -3,-0.1 -0.666 69.6 180.0 -66.1 99.1 13.2 35.8 23.6 32 32 S V E -B 26 0B 47 -6,-2.1 -6,-1.1 -2,-1.4 2,-0.6 -0.760 23.2-156.5-111.6 89.0 11.9 37.8 26.6 33 33 S P E -B 25 0B 35 0, 0.0 -8,-0.2 0, 0.0 3,-0.2 -0.568 19.0-167.9 -52.7 107.0 13.7 41.1 27.0 34 34 S V E + 0 0 55 -10,-2.1 2,-0.4 -2,-0.6 -9,-0.1 0.887 67.3 10.1 -63.5-107.5 12.8 41.4 30.8 35 35 S K E S- 0 0 117 -3,-0.1 -11,-2.7 -30,-0.0 -1,-0.3 -0.649 76.7-171.6 -76.1 129.4 13.7 44.9 31.7 36 36 S R E +B 23 0B 48 -2,-0.4 -30,-2.3 -13,-0.3 -13,-0.3 -0.738 31.3 85.5 -98.5 159.8 14.5 47.3 28.6 37 37 S G E -B 22 0B 3 -15,-2.3 -15,-0.8 -2,-0.3 -32,-0.2 -0.259 69.9 -52.9 132.9 157.3 15.7 50.7 29.0 38 38 S b E +B 21 0B 16 -17,-0.2 -17,-0.2 -37,-0.2 2,-0.1 -0.304 67.4 107.7 -54.9 142.2 18.4 53.3 29.5 39 39 S I S S- 0 0 77 -19,-0.8 -20,-0.2 -25,-0.0 -1,-0.1 -0.378 70.2-109.1-178.9-102.8 20.9 53.0 32.3 40 40 S D S S+ 0 0 65 1,-0.5 2,-0.1 -22,-0.2 -20,-0.1 0.053 78.6 108.2-179.2 -32.4 24.6 52.0 31.4 41 41 S V + 0 0 105 1,-0.2 -1,-0.5 -19,-0.0 -19,-0.1 -0.344 46.2 143.8 -56.0 118.5 25.5 48.5 32.5 42 42 S c + 0 0 27 -2,-0.1 -1,-0.2 -3,-0.1 -19,-0.2 0.659 37.3 43.5-129.6 -60.0 25.5 47.1 29.1 43 43 S P + 0 0 86 0, 0.0 8,-0.1 0, 0.0 -2,-0.0 0.607 67.5 77.9 -87.7-128.1 28.0 44.4 28.1 44 44 S K - 0 0 184 1,-0.1 7,-0.5 6,-0.1 2,-0.3 0.009 65.3-120.9 50.5-158.1 29.3 41.1 29.8 45 45 S S + 0 0 80 5,-0.2 5,-0.3 4,-0.1 -1,-0.1 -0.796 26.5 176.8-163.2 130.3 27.1 37.8 29.8 46 46 S S - 0 0 79 3,-0.7 4,-0.2 -2,-0.3 -2,-0.0 0.685 48.1-104.4 -85.9 -83.8 25.9 35.9 32.7 47 47 S L S S+ 0 0 149 3,-0.1 3,-0.4 0, 0.0 -1,-0.1 -0.119 112.1 35.2-175.2 -88.1 23.8 33.2 31.6 48 48 S L S S+ 0 0 113 1,-0.2 2,-0.2 -22,-0.1 -20,-0.1 0.644 129.1 41.5 -58.1 -13.9 20.1 34.0 32.2 49 49 S V + 0 0 25 -23,-0.1 -3,-0.7 -25,-0.1 -1,-0.2 -0.702 56.1 148.2-152.0 87.2 21.0 37.6 31.4 50 50 S K E -C 25 0B 99 -25,-0.6 -25,-2.5 -3,-0.4 2,-0.4 -0.406 44.4-130.3 -75.6 175.1 23.3 38.8 28.7 51 51 S Y E -C 24 0B 68 -7,-0.5 2,-0.8 -2,-0.2 -27,-0.2 -0.997 8.3-145.6-137.8 144.8 22.2 42.1 27.5 52 52 S V - 0 0 61 -29,-1.1 2,-0.1 -2,-0.4 7,-0.0 -0.884 24.9-164.2-110.7 95.6 21.6 43.3 23.9 53 53 S c - 0 0 34 -2,-0.8 2,-0.3 -11,-0.1 -31,-0.2 -0.395 4.9-168.6 -73.2 158.3 22.6 47.0 23.9 54 54 S d - 0 0 17 1,-0.1 -33,-2.2 -2,-0.1 5,-0.1 -0.865 21.9-173.9-161.5 130.1 21.5 49.1 21.0 55 55 S N S S+ 0 0 115 -2,-0.3 2,-0.3 -35,-0.2 -1,-0.1 0.730 72.3 80.6 -95.2 -37.8 22.6 52.6 20.1 56 56 S T S S- 0 0 89 1,-0.1 -35,-0.1 2,-0.1 0, 0.0 -0.740 96.6-119.0 -68.7 129.0 20.2 53.1 17.3 57 57 S D S S+ 0 0 45 -2,-0.3 2,-0.8 1,-0.2 3,-0.3 0.607 93.2 70.7 -59.5 -23.7 17.1 54.0 19.2 58 58 S R + 0 0 215 1,-0.2 -1,-0.2 -55,-0.1 -3,-0.1 -0.803 54.9 89.6-107.3 96.0 15.1 51.1 17.9 59 59 S d 0 0 61 -2,-0.8 -1,-0.2 -5,-0.1 -2,-0.1 0.184 360.0 360.0-136.8 7.0 15.8 47.5 18.9 60 60 S N 0 0 44 -3,-0.3 -2,-0.1 -6,-0.1 -53,-0.1 0.553 360.0 360.0 -98.0 360.0 13.5 47.5 21.9