==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 04-APR-01 1IDH . COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR H.ZENG,L.MOISE,M.A.GRANT,E.HAWROT . 92 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 17.4 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 . 0 0.0 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 . 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 . 8 8.7 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 I 0 0 116 0, 0.0 15,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.5 -2.5 16.2 -4.6 2 2 A V - 0 0 45 60,-0.6 60,-0.3 13,-0.3 2,-0.2 -0.859 360.0-161.0-136.2 169.8 -4.8 13.3 -3.6 3 3 A a - 0 0 12 -2,-0.3 60,-0.1 60,-0.1 3,-0.1 -0.678 30.5-115.7-160.3 100.7 -4.5 9.6 -2.8 4 4 A H - 0 0 53 -2,-0.2 2,-1.1 1,-0.1 9,-0.1 -0.018 31.6-129.8 -36.0 120.4 -7.4 7.1 -2.8 5 5 A T S S- 0 0 51 7,-0.2 2,-1.8 1,-0.1 -1,-0.1 -0.694 74.6 -39.1 -84.4 99.9 -7.7 5.8 0.8 6 6 A T S S+ 0 0 43 -2,-1.1 2,-1.0 5,-0.1 -1,-0.1 -0.314 78.8 178.4 81.2 -54.0 -7.8 2.0 0.5 7 7 A A + 0 0 24 -2,-1.8 2,-3.4 1,-0.2 -2,-0.1 -0.392 24.2 142.0 59.0 -96.1 -10.0 2.1 -2.6 8 8 A T S S- 0 0 32 -2,-1.0 -1,-0.2 59,-0.3 79,-0.1 -0.289 89.9 -25.2 62.0 -68.9 -10.3 -1.6 -3.3 9 9 A S S S+ 0 0 97 -2,-3.4 -1,-0.2 78,-0.0 78,-0.0 0.479 133.6 24.5-136.3 -67.0 -13.9 -1.3 -4.4 10 10 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.634 82.5-121.0 -77.5-123.9 -15.8 1.7 -3.0 11 11 A I - 0 0 108 -3,-0.0 2,-0.2 -7,-0.0 -5,-0.1 -0.933 18.4-160.2 179.8 158.2 -14.0 4.9 -1.8 12 12 A S - 0 0 66 -2,-0.3 2,-1.3 -7,-0.1 -7,-0.2 -0.703 55.2 -41.8-136.9-172.3 -13.4 7.2 1.2 13 13 A A - 0 0 97 -2,-0.2 -2,-0.0 -9,-0.1 0, 0.0 -0.387 68.1-174.0 -60.4 91.8 -12.2 10.7 2.0 14 14 A V + 0 0 30 -2,-1.3 -10,-0.1 -10,-0.1 -12,-0.0 0.113 36.0 82.5 -72.9-166.5 -9.3 11.0 -0.5 15 15 A T - 0 0 84 1,-0.1 -13,-0.3 2,-0.0 48,-0.0 0.597 64.4-127.7 75.2 130.3 -6.9 13.9 -0.7 16 16 A b - 0 0 23 -15,-1.2 -1,-0.1 1,-0.2 -2,-0.1 -0.847 21.5-177.2-113.7 94.3 -3.8 14.3 1.6 17 17 A P + 0 0 116 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 0.914 68.5 61.9 -55.2 -47.7 -3.8 17.7 3.3 18 18 A P S S+ 0 0 90 0, 0.0 3,-0.3 0, 0.0 27,-0.1 -0.307 96.9 28.7 -78.5 164.8 -0.4 17.1 5.0 19 19 A G S S- 0 0 31 1,-0.2 2,-1.5 26,-0.1 26,-0.2 0.950 72.3-148.1 48.4 87.1 2.9 16.4 3.2 20 20 A E S S+ 0 0 170 1,-0.1 -1,-0.2 25,-0.1 3,-0.1 -0.618 76.8 50.8 -87.4 82.1 2.5 18.3 -0.1 21 21 A N S S+ 0 0 89 -2,-1.5 2,-0.3 -3,-0.3 -1,-0.1 -0.025 105.3 13.2-168.4 -74.5 4.6 16.1 -2.4 22 22 A L - 0 0 20 39,-0.1 23,-1.0 24,-0.1 39,-0.3 -0.894 47.0-147.7-125.4 154.4 4.0 12.3 -2.4 23 23 A a - 0 0 1 37,-2.6 21,-2.2 -2,-0.3 38,-0.1 -0.017 35.1-147.0-109.3 29.1 1.2 10.1 -1.1 24 24 A Y + 0 0 45 19,-0.3 -1,-0.2 34,-0.1 35,-0.1 0.173 37.8 141.6 34.8-159.3 3.3 7.0 -0.3 25 25 A R + 0 0 33 19,-0.1 34,-0.2 18,-0.1 33,-0.2 0.566 7.9 136.5 97.2 117.2 1.7 3.6 -0.7 26 26 A K - 0 0 97 30,-0.3 2,-0.3 14,-0.2 31,-0.2 0.097 43.7-110.4-148.0 -93.8 3.4 0.4 -2.1 27 27 A M - 0 0 51 29,-2.7 28,-0.1 1,-0.1 15,-0.1 -0.976 6.8-124.3 172.2-164.1 3.1 -3.1 -0.6 28 28 A W + 0 0 129 9,-0.4 27,-0.1 -2,-0.3 10,-0.1 0.405 39.6 142.8-133.2 -84.5 4.9 -5.9 1.2 29 29 A c - 0 0 7 8,-0.7 8,-0.1 6,-0.0 3,-0.1 0.197 61.0 -94.1 54.5 175.1 5.2 -9.4 -0.3 30 30 A D S S- 0 0 126 24,-0.0 2,-0.1 0, 0.0 -1,-0.0 0.931 84.5 -33.0 -86.2 -76.2 8.3 -11.5 0.1 31 31 A A S S- 0 0 76 23,-0.0 3,-0.3 0, 0.0 -3,-0.0 0.079 106.0 -38.2-118.1-130.7 10.4 -11.0 -3.0 32 32 A F S S+ 0 0 188 1,-0.2 2,-0.3 2,-0.1 3,-0.0 0.875 83.3 142.5 -68.5 -35.9 9.4 -10.3 -6.6 33 33 A c - 0 0 22 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 -0.013 35.0-166.7 34.6 -86.2 6.5 -12.8 -6.2 34 34 A S S S+ 0 0 103 -2,-0.3 -1,-0.2 -3,-0.3 3,-0.1 0.780 75.7 50.3 78.3 28.5 4.0 -10.9 -8.3 35 35 A S S S+ 0 0 70 1,-0.3 -1,-0.1 37,-0.1 -2,-0.1 0.245 105.4 31.9-152.9 -66.4 1.2 -13.0 -7.0 36 36 A R + 0 0 138 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.133 60.9 105.6 -86.5-155.4 1.0 -13.4 -3.2 37 37 A G - 0 0 7 1,-0.2 -8,-0.7 -8,-0.1 -9,-0.4 0.693 53.3-160.7 88.9 20.2 2.0 -10.9 -0.5 38 38 A K + 0 0 81 -10,-0.1 -1,-0.2 -11,-0.1 2,-0.2 -0.084 45.8 111.5 -39.4 95.3 -1.6 -10.0 0.4 39 39 A V - 0 0 2 -2,-0.2 47,-0.7 -3,-0.1 2,-0.2 -0.561 54.1-118.1-145.7-151.5 -0.9 -6.6 2.1 40 40 A V - 0 0 10 -2,-0.2 2,-0.3 45,-0.2 -14,-0.2 -0.815 23.3 -87.1-150.0-171.2 -1.5 -2.9 1.5 41 41 A E - 0 0 11 -2,-0.2 16,-0.1 1,-0.2 -35,-0.1 -0.747 27.2-127.9-108.1 155.2 -0.0 0.5 0.9 42 42 A L - 0 0 71 -2,-0.3 -1,-0.2 14,-0.3 -18,-0.1 0.971 34.2-133.0 -64.5 -88.1 1.1 3.2 3.4 43 43 A G - 0 0 30 -38,-0.1 -19,-0.3 -27,-0.0 -18,-0.1 0.518 52.6 -27.3 126.9 83.9 -0.6 6.4 2.5 44 44 A b + 0 0 29 -21,-2.2 -21,-0.2 16,-0.1 -19,-0.1 0.527 51.9 168.5 62.8 144.7 1.2 9.8 2.3 45 45 A A - 0 0 49 -23,-1.0 -26,-0.1 -26,-0.2 -22,-0.1 0.310 52.1 -94.5-147.1 -68.8 4.3 10.7 4.3 46 46 A A S S- 0 0 51 -27,-0.1 2,-0.3 -24,-0.1 -24,-0.1 0.018 83.8 -21.9 166.1 -37.0 6.1 13.9 3.2 47 47 A T - 0 0 66 -26,-0.1 -1,-0.1 11,-0.1 3,-0.1 -0.969 42.2-133.8-178.8 173.2 8.9 12.8 0.8 48 48 A d + 0 0 34 -2,-0.3 11,-0.0 2,-0.1 -1,-0.0 -0.256 38.4 148.6-142.8 52.8 11.1 10.0 -0.3 49 49 A P + 0 0 106 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.755 61.4 87.7 -57.5 -21.6 14.7 11.2 -0.6 50 50 A S - 0 0 71 8,-0.1 -2,-0.1 -3,-0.1 8,-0.0 0.253 59.0-168.2 -61.5-166.9 15.6 7.7 0.3 51 51 A K + 0 0 180 7,-0.0 -1,-0.1 0, 0.0 7,-0.1 0.132 23.1 157.4 177.9 39.9 16.0 4.8 -2.2 52 52 A K - 0 0 65 1,-0.1 3,-0.1 6,-0.0 -2,-0.0 -0.395 37.3-133.5 -76.9 155.0 16.2 1.5 -0.2 53 53 A P S S+ 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.956 84.8 26.6 -71.2 -89.6 15.3 -1.8 -1.9 54 54 A Y S S+ 0 0 196 1,-0.1 -26,-0.0 2,-0.1 -23,-0.0 -0.652 82.2 107.1 -81.1 127.4 13.0 -3.9 0.3 55 55 A E S S- 0 0 110 -2,-0.4 -1,-0.1 -27,-0.1 3,-0.1 0.122 79.6 -96.3-156.1 -78.6 10.9 -1.8 2.7 56 56 A E S S+ 0 0 48 1,-0.2 -29,-2.7 -31,-0.0 2,-0.3 0.083 89.9 8.1 166.3 -28.4 7.1 -1.3 2.1 57 57 A V - 0 0 11 -31,-0.2 -1,-0.2 -32,-0.1 -31,-0.1 -0.980 38.2-174.8-168.0 160.0 6.8 2.0 0.2 58 58 A T - 0 0 46 -2,-0.3 2,-0.2 -33,-0.2 -8,-0.1 0.621 63.2 -55.4-122.8 -67.4 8.7 4.8 -1.5 59 59 A d - 0 0 33 -34,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.867 30.7-152.8 178.7 146.9 6.4 7.6 -2.6 60 60 A e + 0 0 1 -2,-0.2 -37,-2.6 2,-0.1 2,-1.4 -0.724 15.9 172.6-134.0 84.7 3.3 8.2 -4.6 61 61 A S + 0 0 60 -2,-0.3 2,-0.2 -39,-0.3 -39,-0.1 -0.585 53.9 73.1 -93.6 74.8 3.0 11.8 -6.1 62 62 A T S S- 0 0 66 -2,-1.4 -60,-0.6 -60,-0.3 3,-0.1 -0.818 86.3-100.7-158.0-164.3 -0.0 11.3 -8.3 63 63 A D S S+ 0 0 86 -2,-0.2 -60,-0.1 -62,-0.1 -2,-0.1 -0.015 112.4 26.7-124.6 28.2 -3.8 10.9 -8.2 64 64 A K + 0 0 146 -62,-0.2 -1,-0.1 -61,-0.0 -61,-0.1 0.092 68.8 130.3 179.5 43.8 -4.1 7.2 -8.7 65 65 A e + 0 0 39 -5,-0.2 -62,-0.1 -3,-0.1 -4,-0.1 0.765 44.5 106.1 -77.8 -27.2 -0.9 5.5 -7.4 66 66 A N - 0 0 17 -6,-0.1 -58,-0.1 1,-0.1 -41,-0.1 -0.391 58.5-165.2 -58.5 105.3 -3.0 3.0 -5.4 67 67 A P - 0 0 63 0, 0.0 -59,-0.3 0, 0.0 -26,-0.1 0.262 25.5 -77.2 -73.5-156.2 -2.6 -0.3 -7.4 68 68 A H - 0 0 117 1,-0.2 6,-0.1 6,-0.1 -61,-0.0 -0.632 53.5 -79.7-106.8 166.6 -4.7 -3.5 -7.0 69 69 A P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 -29,-0.1 0.148 37.5-117.1 -53.5 177.3 -4.7 -6.2 -4.3 70 70 A K S S+ 0 0 26 -31,-0.2 -2,-0.1 2,-0.1 -33,-0.0 0.935 105.3 54.0 -85.1 -56.5 -2.1 -9.1 -4.4 71 71 A Q S S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.930 129.8 11.6 -42.7 -65.2 -4.3 -12.1 -4.8 72 72 A R S S+ 0 0 166 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 -0.796 70.7 157.8-122.3 88.7 -6.0 -10.8 -8.0 73 73 A P 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.908 360.0 360.0 -75.4 -44.4 -4.2 -7.7 -9.3 74 74 A G 0 0 141 -6,-0.1 -6,-0.1 0, 0.0 -2,-0.0 0.396 360.0 360.0 118.1 360.0 -5.5 -7.9 -12.9 75 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 181 B Y 0 0 295 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.6 -3.0 -15.8 25.2 77 182 B R + 0 0 224 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.819 360.0 128.7 -99.8 133.3 -4.8 -16.8 22.0 78 183 B G - 0 0 59 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.465 37.4-160.0-145.7 -46.2 -5.3 -14.4 19.2 79 184 B W - 0 0 227 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.747 31.9-176.5 59.7 23.1 -4.2 -15.7 15.8 80 185 B K - 0 0 184 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.024 30.4 -99.0 -47.6 158.4 -4.0 -12.1 14.7 81 186 B H - 0 0 109 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 -0.740 25.1-141.9 -89.3 127.0 -3.1 -11.4 11.1 82 187 B W S S+ 0 0 186 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.0 0.941 79.1 11.8 -47.2 -89.5 0.5 -10.4 10.4 83 188 B V S S- 0 0 26 1,-0.2 -44,-0.1 -45,-0.1 2,-0.1 -0.030 88.6-102.4 -79.8-171.5 0.2 -7.8 7.7 84 189 B Y - 0 0 128 -44,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.204 27.7-123.0-100.6-165.8 -3.0 -6.0 6.5 85 190 B Y - 0 0 73 1,-0.2 -45,-0.2 -2,-0.1 -47,-0.1 -0.998 10.8-163.5-146.0 145.8 -5.2 -6.5 3.5 86 191 B T + 0 0 9 -47,-0.7 -1,-0.2 -2,-0.3 -46,-0.1 0.919 68.5 62.3 -89.6 -76.3 -6.5 -4.3 0.6 87 192 B C S S+ 0 0 24 1,-0.1 -79,-0.1 -79,-0.1 -78,-0.0 0.152 97.5 31.5 -42.9 170.3 -9.4 -5.9 -1.1 88 193 B C + 0 0 74 1,-0.0 -1,-0.1 2,-0.0 -80,-0.1 0.921 68.8 166.6 41.1 68.6 -12.6 -6.6 0.7 89 194 B P - 0 0 36 0, 0.0 -2,-0.1 0, 0.0 -81,-0.1 0.993 51.6-100.9 -73.1 -70.7 -12.6 -3.7 3.2 90 195 B D S S+ 0 0 146 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 0.177 103.5 82.6 166.6 -20.7 -16.1 -3.6 4.6 91 196 B T + 0 0 89 1,-0.2 2,-0.9 2,-0.1 -3,-0.0 0.739 66.9 86.0 -79.4 -20.8 -18.0 -0.8 2.8 92 197 B P 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.205 360.0 360.0 -64.3 25.1 -18.8 -3.0 -0.3 93 198 B Y 0 0 259 -2,-0.9 -2,-0.1 -3,-0.3 0, 0.0 0.975 360.0 360.0 -79.6 360.0 -21.7 -3.8 2.1