==== 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 28-APR-93 1CVO . COMPND 2 MOLECULE: CARDIOTOXIN V; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR A.K.SINGHAL,K.-Y.CHIEN,W.-G.WU,G.S.RULE . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 45.2 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 . 17 27.4 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 . 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-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 . 4 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.5 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 1 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 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 71 0, 0.0 14,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.4 2.4 10.0 -10.3 2 2 A K E +A 14 0A 108 12,-0.3 58,-0.8 2,-0.0 2,-0.2 -0.950 360.0 137.7-123.0 150.0 -0.9 8.3 -9.7 3 3 A a E -A 13 0A 1 10,-1.9 10,-0.8 -2,-0.4 2,-0.4 -0.810 39.5 -56.8-155.6-135.1 -1.4 5.0 -8.0 4 4 A H + 0 0 21 35,-0.3 19,-0.2 -2,-0.2 8,-0.1 -0.922 38.3 141.1-145.5 152.0 -3.5 3.1 -5.5 5 5 A N S S+ 0 0 45 -2,-0.4 33,-0.5 6,-0.3 -1,-0.1 0.642 87.6 36.2-148.0 -56.3 -4.8 2.9 -1.9 6 6 A T + 0 0 69 5,-0.3 2,-5.7 1,-0.1 5,-0.1 0.562 67.7 169.4 -67.0 -54.4 -8.4 1.7 -1.9 7 7 A Q + 0 0 67 3,-0.3 4,-0.1 4,-0.2 -1,-0.1 0.212 41.6 113.4 64.1 -54.2 -8.0 -0.8 -4.7 8 8 A L S S+ 0 0 142 -2,-5.7 -3,-0.1 1,-0.2 -2,-0.0 -0.778 98.9 15.7 -52.9 126.8 -11.3 -2.3 -3.9 9 9 A P S S- 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.912 101.5-117.6 -23.0 140.1 -12.3 -1.0 -6.9 10 10 A F S S+ 0 0 119 -4,-0.1 -3,-0.3 -6,-0.1 -5,-0.1 0.782 75.1 135.6 -34.7 -18.7 -9.1 -0.2 -8.8 11 11 A I + 0 0 108 -4,-0.1 -6,-0.3 -5,-0.1 2,-0.3 0.129 36.6 173.0 -37.1 117.1 -10.5 3.2 -8.5 12 12 A Y - 0 0 89 -8,-0.1 2,-0.3 -6,-0.1 -8,-0.2 -0.938 25.8-135.1-118.8-163.0 -7.5 5.2 -7.5 13 13 A K E -A 3 0A 113 -10,-0.8 -10,-1.9 -2,-0.3 2,-0.0 -0.975 25.2-101.5-153.6 169.3 -6.1 8.6 -6.9 14 14 A T E -A 2 0A 89 -2,-0.3 -12,-0.3 -12,-0.2 26,-0.1 -0.230 45.6-107.0 -79.8 155.0 -3.0 10.7 -7.6 15 15 A b - 0 0 20 -14,-2.1 -1,-0.1 1,-0.1 3,-0.1 -0.042 28.8-120.0 -69.8-173.3 -0.4 11.2 -4.9 16 16 A P > - 0 0 66 0, 0.0 3,-0.7 0, 0.0 2,-0.3 -0.050 44.3 -62.0-116.3-170.6 0.3 14.3 -2.8 17 17 A E T 3 S+ 0 0 174 1,-0.2 3,-0.0 -2,-0.1 0, 0.0 -0.703 123.6 26.9 -82.8 133.9 3.3 16.5 -2.3 18 18 A G T 3 S+ 0 0 49 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.709 99.0 102.6 93.7 13.7 6.2 14.7 -0.8 19 19 A K < + 0 0 83 -3,-0.7 23,-0.2 1,-0.1 -4,-0.1 -0.678 26.4 146.0-136.9 74.1 5.0 11.4 -2.3 20 20 A N + 0 0 131 -2,-0.3 22,-0.2 21,-0.3 2,-0.2 0.460 67.1 44.7 -89.0 -18.0 7.0 10.5 -5.3 21 21 A L E S-B 41 0B 40 20,-2.0 20,-2.0 -3,-0.1 2,-0.3 -0.524 76.9-120.8-105.5-156.8 6.8 6.8 -4.7 22 22 A a E +BC 40 56B 0 34,-1.9 34,-1.2 18,-0.4 2,-0.3 -0.876 24.8 175.9-162.0 132.7 4.2 4.2 -3.8 23 23 A F E -BC 39 55B 28 16,-2.1 16,-1.7 -2,-0.3 2,-0.2 -0.835 8.8-175.3-128.1-178.6 3.9 1.7 -0.9 24 24 A K E -BC 38 54B 73 30,-2.1 30,-2.6 -2,-0.3 2,-0.3 -0.807 8.6-162.5-165.1 154.2 1.5 -0.8 0.5 25 25 A A E -BC 37 53B 1 12,-3.1 11,-2.2 -2,-0.2 12,-1.8 -0.990 2.1-153.6-134.4 178.5 1.5 -2.9 3.6 26 26 A T E -BC 36 52B 19 26,-2.4 26,-1.9 9,-0.3 10,-0.3 -0.990 14.5-121.3-152.4 163.0 -0.1 -6.0 5.0 27 27 A L E > - C 0 51B 64 8,-1.3 2,-1.7 -2,-0.3 3,-0.6 -0.522 17.8-130.2-111.8 148.0 -1.0 -7.6 8.3 28 28 A K T 3 S+ 0 0 162 22,-2.0 -1,-0.1 -2,-0.3 23,-0.1 -0.067 71.5 124.7 -84.3 47.8 -0.1 -10.9 9.9 29 29 A K T 3 + 0 0 129 -2,-1.7 -1,-0.2 6,-0.2 4,-0.1 0.827 67.6 17.5 -61.9 -69.4 -3.8 -11.3 10.5 30 30 A F S < S- 0 0 139 -3,-0.6 2,-3.6 2,-0.1 -1,-0.2 -0.982 80.3-108.2-122.2 139.5 -4.6 -14.6 8.9 31 31 A P S S+ 0 0 132 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.074 128.9 21.4 -57.6 76.9 -2.5 -17.5 7.7 32 32 A L S S- 0 0 118 -2,-3.6 2,-0.2 0, 0.0 -2,-0.1 -0.253 110.4-167.2 150.9 -75.0 -3.3 -16.3 4.2 33 33 A K - 0 0 96 -4,-0.1 -5,-0.1 -2,-0.1 -7,-0.0 -0.509 30.5-113.8 81.7-176.3 -4.2 -12.8 5.2 34 34 A F - 0 0 157 -7,-0.4 -1,-0.1 1,-0.3 -6,-0.1 -0.103 47.3-121.1-160.1 38.8 -5.8 -9.7 3.8 35 35 A P - 0 0 41 0, 0.0 -8,-1.3 0, 0.0 -1,-0.3 0.071 19.2-119.5 43.4-167.7 -3.0 -7.1 3.5 36 36 A V E -B 26 0B 37 -11,-2.2 -10,-0.3 -10,-0.3 2,-0.3 0.518 55.7 -34.9-126.9 -72.0 -3.1 -3.8 5.3 37 37 A K E -B 25 0B 133 -12,-1.8 -12,-3.1 2,-0.0 2,-0.3 -0.922 43.8-170.2-153.8 167.5 -3.0 -0.5 3.5 38 38 A R E +B 24 0B 65 -33,-0.5 2,-0.3 -14,-0.3 -14,-0.2 -0.843 23.1 123.2-169.5 175.7 -1.5 1.3 0.4 39 39 A G E -B 23 0B 9 -16,-1.7 -16,-2.1 -2,-0.3 -35,-0.3 -0.936 64.4 -35.3 163.0-158.4 -1.1 4.7 -1.2 40 40 A b E -B 22 0B 9 -18,-0.3 -18,-0.4 -2,-0.3 2,-0.2 -0.476 56.1-144.8 -91.0-174.9 1.9 6.6 -2.3 41 41 A A E +B 21 0B 5 -20,-2.0 -20,-2.0 -2,-0.2 -21,-0.3 -0.693 26.9 176.6-148.0-178.8 5.3 6.8 -0.8 42 42 A D S S+ 0 0 93 -23,-0.2 -1,-0.1 -2,-0.2 -23,-0.1 0.381 82.4 7.5-164.3 -73.4 8.3 8.8 0.0 43 43 A N S S- 0 0 138 -22,-0.0 -2,-0.1 -24,-0.0 12,-0.0 0.803 100.8 -90.6 -88.1 -99.8 11.0 7.1 2.1 44 44 A c - 0 0 73 -23,-0.0 3,-0.1 10,-0.0 11,-0.1 -0.136 50.9 -98.1 175.2 107.3 10.2 3.4 2.6 45 45 A P - 0 0 45 0, 0.0 2,-0.9 0, 0.0 8,-0.1 0.605 19.2-116.2 -45.1 166.9 8.2 2.4 5.6 46 46 A K - 0 0 164 6,-0.0 2,-0.1 0, 0.0 6,-0.0 -0.909 36.4-140.9-100.5 76.9 9.1 1.0 8.9 47 47 A N - 0 0 81 -2,-0.9 5,-0.1 6,-0.2 -22,-0.0 -0.442 31.8-121.4 -37.8 162.3 7.5 -2.4 8.8 48 48 A S > - 0 0 57 -2,-0.1 3,-0.5 1,-0.1 -1,-0.1 0.264 19.6 -85.2-109.7-166.7 6.0 -3.2 12.2 49 49 A A T 3 S+ 0 0 90 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 0.211 130.3 7.8 -68.6 -13.3 5.8 -5.4 15.2 50 50 A L T 3 S+ 0 0 108 1,-0.1 -22,-2.0 0, 0.0 2,-0.3 0.208 120.8 70.1-162.1 22.7 3.3 -7.5 13.2 51 51 A L E < -C 27 0B 36 -3,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.957 57.2-133.9-133.4-168.1 3.3 -6.2 9.7 52 52 A K E -C 26 0B 116 -26,-1.9 -26,-2.4 -2,-0.3 2,-0.3 -0.957 14.8-169.3-151.4 142.0 5.1 -5.8 6.4 53 53 A Y E +C 25 0B 71 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.2 -0.853 4.6 179.3-128.9 151.3 5.6 -2.9 4.0 54 54 A V E -C 24 0B 60 -30,-2.6 -30,-2.1 -2,-0.3 2,-0.4 -0.965 8.5-161.2-146.7 148.2 7.0 -2.6 0.5 55 55 A c E -C 23 0B 38 -2,-0.3 -32,-0.3 -32,-0.2 2,-0.2 -0.991 4.1-169.1-146.0 123.1 7.4 0.4 -1.8 56 56 A d E -C 22 0B 43 -34,-1.2 -34,-1.9 -2,-0.4 6,-0.1 -0.656 22.3-134.3 -94.2-165.5 7.8 0.9 -5.5 57 57 A S S S+ 0 0 83 -36,-0.2 2,-0.1 -2,-0.2 3,-0.1 0.654 74.9 65.9-121.2 -33.5 8.8 3.7 -7.8 58 58 A T S > S- 0 0 74 1,-0.2 3,-1.7 -57,-0.1 4,-0.3 -0.327 95.3 -59.9-101.9-178.4 6.3 3.5 -10.7 59 59 A D T 3 S- 0 0 86 1,-0.3 -56,-0.2 2,-0.2 -1,-0.2 -0.298 116.9 -12.4 -72.6 127.0 2.6 4.0 -11.1 60 60 A K T 3 S+ 0 0 111 -58,-0.8 -1,-0.3 1,-0.2 -57,-0.1 0.688 97.4 138.6 59.9 25.5 0.3 1.8 -9.1 61 61 A d < 0 0 44 -3,-1.7 -1,-0.2 -38,-0.0 -2,-0.2 0.688 360.0 360.0 -75.9 -31.2 3.6 -0.1 -8.6 62 62 A N 0 0 30 -4,-0.3 -7,-0.1 -23,-0.2 -39,-0.1 -0.239 360.0 360.0 -52.5 360.0 3.0 -0.8 -4.9