==== 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 1IDG . 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) . 7555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 20.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 3 3.3 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 . 10 10.9 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 0 162 0, 0.0 15,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 108.7 -2.5 16.4 -7.2 2 2 A V - 0 0 72 13,-0.1 62,-0.5 60,-0.1 2,-0.1 -0.937 360.0-161.1-134.5 112.4 -4.9 14.0 -5.5 3 3 A a - 0 0 10 -2,-0.5 12,-0.9 60,-0.2 61,-0.2 -0.391 23.8-123.8 -70.7 155.8 -4.4 10.4 -4.1 4 4 A H - 0 0 80 10,-0.1 2,-1.3 -2,-0.1 7,-0.2 -0.220 50.4 -68.9 -75.6-175.4 -7.5 8.0 -3.4 5 5 A T - 0 0 26 5,-0.5 4,-0.4 1,-0.1 2,-0.1 -0.721 58.1-131.8 -83.1 89.3 -8.0 6.5 0.1 6 6 A T + 0 0 59 -2,-1.3 2,-0.3 2,-0.1 35,-0.2 0.078 63.1 33.2 68.6 -95.6 -5.3 4.1 0.5 7 7 A A S S- 0 0 35 -2,-0.1 2,-0.6 33,-0.1 79,-0.1 -0.988 115.6 -6.1-158.1 125.2 -5.9 0.6 1.8 8 8 A T S S+ 0 0 51 -2,-0.3 -2,-0.1 1,-0.1 82,-0.1 -0.376 114.4 88.2 72.3 -47.5 -8.8 -1.9 1.4 9 9 A S - 0 0 28 -2,-0.6 -1,-0.1 -4,-0.4 3,-0.1 -0.404 58.8-162.3-110.7 155.6 -10.7 0.8 -0.4 10 10 A P S S+ 0 0 63 0, 0.0 -5,-0.5 0, 0.0 2,-0.3 0.860 83.6 22.2 -74.1 -43.2 -11.8 2.8 -3.6 11 11 A I + 0 0 111 -7,-0.2 2,-0.2 3,-0.0 79,-0.1 -0.888 52.4 115.0-134.4 151.3 -13.3 6.0 -1.7 12 12 A S S S- 0 0 103 -2,-0.3 2,-0.3 -3,-0.1 -8,-0.0 -0.584 79.4 -49.4-165.2-103.6 -13.5 8.3 1.4 13 13 A A S S+ 0 0 97 -2,-0.2 -9,-0.0 2,-0.0 -2,-0.0 -0.897 73.2 177.5-148.4 114.1 -12.4 12.1 1.6 14 14 A V + 0 0 60 -2,-0.3 -10,-0.1 -11,-0.1 -9,-0.1 0.506 25.8 119.9-111.1-140.9 -8.9 12.4 0.2 15 15 A T - 0 0 79 -12,-0.9 -13,-0.1 1,-0.1 -2,-0.0 0.675 46.3-133.0 80.0 128.5 -6.0 14.8 -0.7 16 16 A b + 0 0 32 -15,-0.5 -1,-0.1 1,-0.2 -2,-0.0 -0.921 58.0 171.6 -96.7 95.9 -2.3 14.9 0.6 17 17 A P + 0 0 91 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.945 30.9 42.9-100.4 -62.5 -2.7 18.8 1.1 18 18 A P S S- 0 0 129 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.964 110.4 -21.2 -68.9 -72.9 -0.8 21.9 2.7 19 19 A G S S+ 0 0 40 1,-0.2 27,-0.0 0, 0.0 0, 0.0 -0.580 93.7 41.0 -93.2-173.7 2.6 21.0 1.5 20 20 A E - 0 0 125 -2,-0.2 -1,-0.2 26,-0.2 2,-0.2 0.649 61.9 -92.5 177.1 125.0 4.5 19.0 0.5 21 21 A N + 0 0 85 -4,-0.1 2,-0.2 -3,-0.1 25,-0.2 -0.333 53.4 44.7 82.9-133.3 4.4 16.3 -1.7 22 22 A L - 0 0 34 23,-0.4 2,-2.0 -2,-0.2 23,-1.6 -0.613 51.6-118.4-124.8 148.7 3.9 12.7 -2.5 23 23 A a - 0 0 12 37,-2.1 2,-0.2 40,-0.3 -2,-0.1 -0.330 41.0-146.3 -84.4 62.9 1.6 9.6 -1.6 24 24 A Y - 0 0 82 -2,-2.0 2,-0.7 1,-0.1 19,-0.5 0.054 18.5-162.7 -46.0 86.6 4.4 7.6 -0.0 25 25 A R - 0 0 42 -2,-0.2 33,-0.5 17,-0.2 2,-0.4 -0.640 11.8-158.4 -94.6 112.9 3.4 4.0 -1.0 26 26 A K + 0 0 69 -2,-0.7 2,-0.3 31,-0.2 31,-0.2 -0.671 14.5 176.3 -77.7 130.4 4.8 0.9 0.8 27 27 A M - 0 0 64 29,-0.5 13,-0.1 -2,-0.4 28,-0.1 -0.899 18.9-153.2-141.5 106.5 4.6 -2.3 -1.3 28 28 A W + 0 0 105 -2,-0.3 -1,-0.2 11,-0.2 9,-0.1 0.906 19.1 174.4 -49.0 -68.9 6.2 -5.5 0.3 29 29 A c - 0 0 44 1,-0.1 8,-0.1 10,-0.0 -2,-0.1 0.984 29.2-142.0 56.3 76.9 7.1 -7.6 -2.8 30 30 A D - 0 0 128 2,-0.1 -1,-0.1 7,-0.1 -2,-0.0 0.786 51.4 -80.3 -48.0 -44.1 9.1 -10.5 -1.0 31 31 A A S S+ 0 0 75 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 0.284 119.5 26.0-155.6-112.8 11.8 -10.8 -3.8 32 32 A F S S- 0 0 204 3,-0.0 4,-0.1 0, 0.0 -2,-0.1 0.636 83.8-177.3 5.1-124.3 11.3 -12.6 -7.0 33 33 A c + 0 0 29 -2,-0.2 3,-0.2 2,-0.1 0, 0.0 0.939 5.4 177.8 51.0 94.0 8.1 -11.6 -5.9 34 34 A S S S- 0 0 103 1,-0.2 2,-0.4 3,-0.0 -1,-0.0 0.978 82.2 -6.3 -77.9 -70.0 6.7 -13.5 -9.0 35 35 A S S S+ 0 0 67 2,-0.0 2,-0.3 36,-0.0 -1,-0.2 -0.739 117.1 125.1-116.3 74.8 2.9 -12.9 -8.3 36 36 A R + 0 0 147 -2,-0.4 2,-0.3 -3,-0.2 3,-0.1 -0.940 18.6 69.6-151.6 160.1 3.6 -11.3 -4.8 37 37 A G + 0 0 15 -2,-0.3 3,-0.1 1,-0.1 -7,-0.1 -0.920 28.1 166.0 125.9-113.6 2.9 -8.1 -2.8 38 38 A K + 0 0 63 -2,-0.3 2,-0.3 1,-0.2 46,-0.2 0.957 51.1 113.4 39.6 57.7 -0.7 -7.8 -1.8 39 39 A V + 0 0 5 46,-0.1 2,-0.2 -3,-0.1 -11,-0.2 -0.853 34.2 163.5-152.8 109.7 0.5 -5.1 0.6 40 40 A V + 0 0 9 -2,-0.3 -12,-0.1 -13,-0.1 44,-0.1 -0.462 5.5 156.6 -97.2-170.5 -0.3 -1.4 0.4 41 41 A E + 0 0 102 -2,-0.2 -16,-0.1 -35,-0.2 -1,-0.1 -0.297 13.1 157.9-167.4 -83.7 0.3 1.0 3.4 42 42 A L + 0 0 21 -18,-0.4 -17,-0.2 1,-0.1 -18,-0.1 0.871 17.9 164.1 48.3 129.4 0.8 4.8 2.6 43 43 A G - 0 0 69 -19,-0.5 -1,-0.1 -37,-0.0 -20,-0.1 0.081 57.1 -98.3-150.2 36.9 0.3 7.9 4.8 44 44 A b - 0 0 42 -20,-0.1 2,-0.2 -28,-0.0 -21,-0.2 0.600 34.9-153.7 62.9 143.7 2.1 10.7 2.8 45 45 A A - 0 0 27 -23,-1.6 -23,-0.4 -25,-0.1 -21,-0.1 -0.772 22.5-124.5-128.2-178.9 5.7 12.1 3.3 46 46 A A S S+ 0 0 57 -2,-0.2 2,-0.3 -25,-0.2 -26,-0.2 0.433 85.4 28.7 -94.6 -4.9 7.4 15.5 2.5 47 47 A T - 0 0 82 -25,-0.1 3,-0.2 -27,-0.1 -23,-0.1 -0.955 65.4-122.8-162.7 157.9 10.3 14.1 0.4 48 48 A d + 0 0 69 -2,-0.3 -27,-0.0 1,-0.1 -1,-0.0 0.170 64.2 115.3-107.8 21.3 11.7 11.3 -2.0 49 49 A P + 0 0 69 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.477 51.8 102.7 -71.8 4.0 15.1 9.7 -0.4 50 50 A S + 0 0 4 -3,-0.2 5,-0.0 1,-0.1 0, 0.0 -0.813 42.1 105.7 -80.9 115.2 13.1 6.4 -0.2 51 51 A K + 0 0 162 -2,-0.6 -1,-0.1 0, 0.0 7,-0.1 0.072 50.7 128.8 178.4 16.6 14.8 4.7 -3.2 52 52 A K - 0 0 128 5,-0.3 3,-0.4 2,-0.0 -2,-0.0 0.030 66.7 -84.7-110.8-169.0 17.2 2.2 -1.4 53 53 A P S S+ 0 0 111 0, 0.0 2,-1.1 0, 0.0 -1,-0.0 0.995 114.3 22.2 -72.4 -70.4 18.1 -1.7 -1.5 54 54 A Y S S+ 0 0 212 2,-0.0 2,-0.1 1,-0.0 -2,-0.0 -0.750 96.4 131.6 -96.3 82.9 15.5 -3.7 0.7 55 55 A E - 0 0 72 -2,-1.1 3,-0.1 -3,-0.4 -29,-0.0 0.032 45.7-169.2-114.7-138.7 12.6 -1.1 0.7 56 56 A E S S+ 0 0 52 1,-0.7 -29,-0.5 -31,-0.1 2,-0.2 -0.201 74.8 78.7 157.3 -75.8 8.9 -1.1 0.1 57 57 A V + 0 0 8 -31,-0.2 -1,-0.7 1,-0.1 -5,-0.3 -0.491 44.4 162.5 -67.9 136.1 8.5 2.7 -0.0 58 58 A T - 0 0 79 -33,-0.5 -1,-0.1 -2,-0.2 -32,-0.1 0.244 56.3-100.0-130.8 5.4 9.5 4.3 -3.4 59 59 A d - 0 0 13 1,-0.1 2,-0.2 -37,-0.1 -11,-0.1 0.312 31.6-138.4 57.3 150.6 7.7 7.8 -3.2 60 60 A e + 0 0 4 -3,-0.0 -37,-2.1 2,-0.0 5,-0.4 -0.612 36.1 157.0-145.5 76.3 4.4 8.1 -5.2 61 61 A S + 0 0 57 -39,-0.2 2,-1.7 -2,-0.2 -39,-0.1 -0.035 38.3 49.5 -89.8-171.2 4.0 11.4 -7.1 62 62 A T S S- 0 0 102 2,-0.1 2,-0.2 -61,-0.0 -60,-0.1 -0.406 110.1 -26.1 86.0 -65.2 2.1 12.7 -10.2 63 63 A D S S- 0 0 94 -2,-1.7 2,-1.3 -62,-0.1 -40,-0.3 -0.631 112.3 -23.1-132.7-158.0 -1.6 11.6 -9.6 64 64 A K - 0 0 119 -62,-0.5 -61,-0.1 -2,-0.2 -3,-0.1 -0.679 57.7-177.7 -36.0 85.3 -3.3 8.9 -7.7 65 65 A e + 0 0 38 -2,-1.3 -1,-0.1 -5,-0.4 -4,-0.1 0.570 40.4 129.8 -63.1 -16.5 -0.3 6.5 -7.7 66 66 A N - 0 0 25 -6,-0.1 -2,-0.1 1,-0.1 -61,-0.0 -0.203 37.1-174.6 -58.1 123.2 -2.7 4.0 -5.9 67 67 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -27,-0.0 0.914 25.9-119.8 -78.0 -91.1 -2.9 0.4 -7.4 68 68 A H - 0 0 131 -62,-0.1 2,-0.7 0, 0.0 18,-0.2 -0.885 62.0 -41.9 177.4-172.0 -5.5 -2.0 -5.8 69 69 A P S S- 0 0 18 0, 0.0 16,-0.0 0, 0.0 19,-0.0 -0.860 71.7-139.6 -59.8 114.0 -5.1 -5.3 -4.1 70 70 A K S S+ 0 0 59 -2,-0.7 2,-1.3 1,-0.2 -33,-0.0 0.955 73.5 106.5 -56.2 -68.9 -2.5 -6.2 -6.9 71 71 A Q + 0 0 85 -3,-0.1 3,-0.3 2,-0.0 -1,-0.2 0.230 14.2 136.9 31.6 21.5 -3.7 -9.9 -7.2 72 72 A R - 0 0 152 -2,-1.3 -1,-0.0 1,-0.6 0, 0.0 -0.966 58.7-157.1-123.8 119.5 -5.6 -9.6 -10.6 73 73 A P 0 0 94 0, 0.0 -1,-0.6 0, 0.0 -2,-0.0 0.803 360.0 360.0-116.1 -18.3 -3.4 -12.5 -10.0 74 74 A G 0 0 127 -3,-0.3 -2,-0.1 -39,-0.0 -3,-0.0 0.823 360.0 360.0 -59.6 360.0 -3.5 -12.5 -13.6 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 0 278 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.9 -3.0 -17.0 24.6 77 182 B R + 0 0 194 3,-0.0 3,-0.0 1,-0.0 0, 0.0 0.015 360.0 152.0 19.2 110.2 -2.6 -16.0 21.2 78 183 B G + 0 0 78 2,-0.0 2,-0.2 3,-0.0 3,-0.1 0.269 50.4 114.3 159.6 72.9 -3.1 -12.3 20.2 79 184 B W + 0 0 183 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.183 47.5 23.7 94.3 108.6 -1.0 -12.6 17.7 80 185 B K + 0 0 132 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.377 21.2 160.2 41.8 99.9 -1.3 -12.4 14.2 81 186 B H - 0 0 139 2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 0.672 51.7-105.0 66.3-170.0 -3.1 -11.2 11.8 82 187 B W - 0 0 166 1,-1.3 2,-0.2 -2,-0.1 -2,-0.1 0.624 46.6 -55.1-128.8-101.0 -1.1 -11.1 8.5 83 188 B V S S- 0 0 48 -45,-0.1 -1,-1.3 -3,-0.0 -2,-0.2 0.307 72.5 -71.7 66.3 177.8 0.4 -8.6 6.7 84 189 B Y - 0 0 133 -46,-0.2 2,-0.3 -2,-0.2 3,-0.0 -0.836 56.4-176.3 93.7 63.7 -1.2 -5.9 5.6 85 190 B Y - 0 0 74 -2,-0.2 -46,-0.1 -46,-0.1 -78,-0.1 -0.862 36.2-157.1-137.1 124.3 -3.7 -6.5 2.7 86 191 B T + 0 0 7 -2,-0.3 -1,-0.1 -18,-0.2 -47,-0.1 0.421 62.3 132.8 -32.4 -16.7 -5.8 -4.4 0.5 87 192 B C + 0 0 37 -49,-0.2 -2,-0.1 1,-0.2 -17,-0.0 -0.111 57.1 21.5 -41.6 146.4 -7.9 -7.7 0.1 88 193 B C S S- 0 0 98 -19,-0.0 -1,-0.2 -79,-0.0 -79,-0.1 0.960 92.3-124.6 62.0 65.8 -11.6 -7.7 0.5 89 194 B P - 0 0 67 0, 0.0 -80,-0.1 0, 0.0 -81,-0.1 0.134 16.6-100.0 -55.4-175.1 -12.8 -4.0 -0.2 90 195 B D - 0 0 85 1,-0.1 -81,-0.1 -82,-0.1 -2,-0.0 0.172 50.7-119.2 -98.1 -27.8 -14.7 -1.7 1.8 91 196 B T + 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -82,-0.0 0.842 36.5 177.0-118.1 166.6 -17.8 -1.8 0.5 92 197 B P 0 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.948 360.0 360.0 -88.8 -73.1 -20.0 1.0 -1.2 93 198 B Y 0 0 271 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.306 360.0 360.0 87.8 360.0 -23.1 -1.0 -2.2