==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 07-NOV-01 1KC4 . COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR L.MOISE,A.PISERCHIO,V.J.BASUS,E.HAWROT . 93 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 33.3 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 . 11 11.8 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 1.1 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 . 14 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 A I 0 0 94 0, 0.0 15,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.3 1.2 12.5 -6.2 2 2 A V - 0 0 36 60,-0.2 62,-3.0 13,-0.2 63,-0.4 -0.992 360.0-159.3-158.3 155.9 -0.3 9.7 -4.2 3 3 A a B -A 14 0A 1 11,-1.4 11,-0.8 -2,-0.3 41,-0.1 -0.920 27.0-121.9-145.7 114.7 0.6 6.9 -1.8 4 4 A H - 0 0 19 -2,-0.3 61,-0.1 9,-0.3 7,-0.0 0.112 45.9 -80.0 -45.4 166.6 -1.6 3.8 -1.1 5 5 A T - 0 0 22 1,-0.1 38,-0.1 62,-0.1 6,-0.1 0.060 45.4 -96.1 -63.0 179.3 -2.8 3.1 2.4 6 6 A T - 0 0 74 35,-0.1 -1,-0.1 36,-0.1 34,-0.1 0.503 59.2-109.7 -77.7 -4.3 -0.7 1.5 5.2 7 7 A A + 0 0 2 34,-0.2 33,-0.2 3,-0.1 4,-0.1 0.907 57.6 162.5 76.1 45.1 -2.2 -1.9 4.3 8 8 A T S S- 0 0 110 2,-0.1 79,-0.1 76,-0.1 77,-0.1 0.922 74.8 -71.4 -59.8 -42.5 -4.3 -2.2 7.5 9 9 A S S S+ 0 0 34 75,-0.1 2,-1.2 79,-0.0 80,-0.1 -0.050 122.7 60.8-177.5 -61.1 -6.3 -4.9 5.7 10 10 A P S S- 0 0 90 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.679 76.9-145.0 -91.6 86.5 -8.6 -3.4 2.9 11 11 A I + 0 0 54 -2,-1.2 -7,-0.0 76,-0.3 57,-0.0 -0.315 39.3 152.0 -53.7 107.0 -6.1 -1.8 0.5 12 12 A S - 0 0 108 -2,-0.4 -1,-0.2 0, 0.0 -8,-0.0 0.616 49.6-122.0-111.8 -23.3 -8.1 1.3 -0.7 13 13 A A - 0 0 28 -3,-0.1 -9,-0.3 53,-0.1 2,-0.2 0.597 25.0-151.0 82.8 125.5 -5.1 3.6 -1.4 14 14 A V B -A 3 0A 77 -11,-0.8 -11,-1.4 1,-0.1 50,-0.2 -0.684 19.5 -98.5-120.3 174.4 -4.6 7.1 0.1 15 15 A T - 0 0 84 -13,-0.2 -13,-0.2 -2,-0.2 -1,-0.1 -0.477 25.2-176.4 -91.2 165.2 -3.0 10.3 -0.9 16 16 A b + 0 0 13 -15,-0.5 3,-0.2 -2,-0.1 -14,-0.2 -0.319 24.4 143.9-160.2 65.2 0.5 11.6 -0.0 17 17 A P + 0 0 82 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.297 30.6 116.1-105.1 49.1 1.2 15.1 -1.4 18 18 A P S S- 0 0 75 0, 0.0 2,-1.1 0, 0.0 28,-0.0 0.172 89.9-103.4 -97.8 15.3 3.3 16.6 1.5 19 19 A G S S+ 0 0 59 -3,-0.2 2,-0.7 2,-0.1 -3,-0.0 -0.639 108.6 43.2 100.3 -74.8 6.4 17.0 -0.7 20 20 A E S S+ 0 0 130 -2,-1.1 27,-0.1 1,-0.1 24,-0.0 -0.889 72.7 123.2-109.0 101.8 8.4 14.0 0.5 21 21 A N + 0 0 39 -2,-0.7 25,-0.3 25,-0.2 -2,-0.1 -0.288 27.4 168.8-159.8 67.0 6.2 11.0 1.0 22 22 A L E -B 45 0B 9 23,-2.0 23,-1.4 22,-0.1 2,-0.6 0.061 41.1-101.1 -66.9-174.4 7.2 7.9 -1.0 23 23 A a E -B 44 0B 7 37,-1.7 21,-0.2 21,-0.2 2,-0.1 -0.935 36.9-167.3-119.9 109.7 5.6 4.5 -0.3 24 24 A Y E -B 43 0B 47 19,-0.6 19,-0.9 -2,-0.6 2,-0.4 -0.445 10.7-140.8 -89.9 166.1 7.7 2.1 1.8 25 25 A R E -BC 42 58B 58 33,-0.6 33,-1.7 17,-0.2 2,-1.1 -0.924 2.8-157.0-135.0 112.1 7.0 -1.6 2.2 26 26 A K E +BC 41 57B 57 15,-0.8 15,-1.6 -2,-0.4 2,-0.3 -0.734 38.0 146.7 -88.0 99.3 7.4 -3.5 5.4 27 27 A M - 0 0 38 29,-1.3 13,-0.2 -2,-1.1 29,-0.1 -0.927 42.0-159.4-133.4 157.9 7.8 -7.2 4.4 28 28 A W S S- 0 0 88 11,-0.4 -1,-0.1 -2,-0.3 12,-0.1 0.706 87.7 -21.8-105.9 -30.1 9.8 -10.2 5.7 29 29 A c S S- 0 0 53 10,-0.3 9,-0.1 26,-0.0 -2,-0.1 0.453 73.0-169.4-144.4 -55.6 10.0 -12.3 2.6 30 30 A D + 0 0 31 7,-0.1 7,-0.1 9,-0.1 9,-0.1 0.436 55.4 72.4 62.4 149.9 7.3 -11.6 -0.1 31 31 A A S S- 0 0 76 7,-0.1 6,-0.0 2,-0.0 -1,-0.0 0.986 122.3 -32.3 75.8 68.8 6.8 -13.9 -3.1 32 32 A F S S+ 0 0 182 1,-0.1 6,-0.1 3,-0.1 4,-0.0 0.967 85.0 140.1 53.0 88.9 5.1 -17.0 -1.6 33 33 A c S S- 0 0 54 4,-1.1 2,-0.1 0, 0.0 -1,-0.1 0.099 77.6 -16.6-144.0 21.4 6.5 -17.4 1.9 34 34 A S S S- 0 0 75 1,-0.1 4,-0.1 4,-0.1 3,-0.0 -0.456 100.6 -61.5 179.5 -99.3 3.4 -18.4 3.9 35 35 A S S S+ 0 0 98 2,-0.2 2,-1.1 -2,-0.1 3,-0.1 0.437 124.7 44.1-141.4 -56.4 -0.3 -18.1 2.8 36 36 A R S S- 0 0 78 1,-0.2 50,-3.2 56,-0.1 2,-0.9 -0.398 116.2-104.2 -92.1 51.8 -1.2 -14.4 2.3 37 37 A G S S- 0 0 5 -2,-1.1 -4,-1.1 48,-0.2 2,-0.3 -0.444 71.1 -59.2 62.5 -99.0 2.0 -14.0 0.5 38 38 A K - 0 0 15 -2,-0.9 -7,-0.1 -4,-0.1 51,-0.1 -0.985 66.5 -53.8-167.8 168.7 3.8 -12.2 3.2 39 39 A V + 0 0 0 -2,-0.3 -11,-0.4 46,-0.2 -10,-0.3 -0.134 51.1 158.6 -47.4 135.5 4.0 -9.2 5.5 40 40 A V + 0 0 0 44,-0.7 2,-1.9 45,-0.2 -13,-0.2 -0.130 10.6 177.6-161.6 50.9 3.7 -5.9 3.6 41 41 A E E -B 26 0B 38 -15,-1.6 -15,-0.8 43,-0.4 -34,-0.2 -0.401 24.1-159.1 -62.7 85.7 2.6 -3.2 5.9 42 42 A L E +B 25 0B 4 -2,-1.9 2,-0.3 -17,-0.2 -17,-0.2 0.088 22.0 151.5 -58.0 178.7 2.8 -0.4 3.3 43 43 A G E -B 24 0B 2 -19,-0.9 -19,-0.6 -38,-0.1 2,-0.4 -0.977 41.9 -87.2 174.2-172.9 3.0 3.2 4.4 44 44 A b E +B 23 0B 43 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.981 38.8 170.3-130.4 122.8 4.2 6.7 3.4 45 45 A A E -B 22 0B 26 -23,-1.4 -23,-2.0 -2,-0.4 -2,-0.0 -0.877 35.8-135.3-128.1 159.2 7.7 8.0 4.2 46 46 A A S S+ 0 0 44 -25,-0.3 2,-0.4 -2,-0.3 -25,-0.2 0.392 86.2 64.0 -93.8 2.0 9.7 11.2 3.2 47 47 A T - 0 0 95 -27,-0.1 13,-0.1 -25,-0.1 -2,-0.1 -0.984 59.1-158.9-132.2 140.7 12.9 9.3 2.5 48 48 A d + 0 0 62 -2,-0.4 11,-0.1 11,-0.1 13,-0.1 -0.482 27.2 174.1-113.0 60.5 13.9 6.6 -0.0 49 49 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 10,-0.1 0.290 12.3-155.1 -49.4-170.6 17.0 4.9 1.5 50 50 A S + 0 0 119 8,-0.1 2,-0.3 2,-0.0 8,-0.1 -0.803 30.6 107.6-176.6 132.0 18.6 1.9 -0.1 51 51 A K S S- 0 0 171 -2,-0.2 3,-0.2 0, 0.0 0, 0.0 -0.913 73.3 -55.3-176.1-159.8 20.7 -1.1 1.0 52 52 A K + 0 0 158 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.658 57.2 156.6-105.2 75.4 20.7 -4.9 1.6 53 53 A P - 0 0 57 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.885 26.4-164.2 -64.3 -43.5 17.8 -5.2 4.1 54 54 A Y S S+ 0 0 189 -3,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.489 88.2 9.8 66.9 -0.1 17.0 -8.8 3.3 55 55 A E S S+ 0 0 116 2,-0.0 2,-0.2 -26,-0.0 -27,-0.1 0.022 104.8 90.3 154.9 86.8 13.9 -7.9 5.2 56 56 A E S S- 0 0 103 -31,-0.2 -29,-1.3 -29,-0.1 2,-0.7 -0.725 79.3 -35.4-161.2-150.8 13.1 -4.3 6.1 57 57 A V E -C 26 0B 57 -2,-0.2 -31,-0.2 -31,-0.2 2,-0.0 -0.821 53.3-160.5 -96.8 118.1 11.4 -1.2 4.8 58 58 A T E -C 25 0B 73 -33,-1.7 -33,-0.6 -2,-0.7 2,-0.3 -0.228 9.0-147.4 -83.1 177.0 11.6 -0.7 1.0 59 59 A d + 0 0 33 -35,-0.2 -35,-0.2 -11,-0.1 2,-0.1 -0.978 27.4 158.0-148.5 161.3 11.0 2.6 -0.7 60 60 A e - 0 0 42 -2,-0.3 -37,-1.7 -13,-0.1 5,-0.3 -0.443 14.9-172.8 175.3 102.4 9.7 4.2 -4.0 61 61 A S + 0 0 40 -39,-0.3 2,-1.4 -2,-0.1 -38,-0.1 0.402 51.0 82.8 -78.9-143.1 8.5 7.8 -4.4 62 62 A T S S- 0 0 98 2,-0.1 -60,-0.2 -40,-0.0 2,-0.2 -0.634 100.5 -52.6 81.8 -88.9 6.8 9.3 -7.4 63 63 A D S S+ 0 0 82 -2,-1.4 -60,-0.2 -62,-0.2 -41,-0.1 -0.757 107.1 1.1 175.1 136.9 3.2 8.3 -6.9 64 64 A K S S+ 0 0 101 -62,-3.0 -61,-0.2 -2,-0.2 -3,-0.1 0.887 71.6 144.0 44.0 52.3 1.1 5.2 -6.3 65 65 A e + 0 0 53 -63,-0.4 -1,-0.1 -5,-0.3 -62,-0.1 0.334 62.0 59.2 -99.0 6.2 4.2 2.9 -6.2 66 66 A N + 0 0 3 1,-0.1 -1,-0.2 -44,-0.0 -24,-0.1 0.044 61.1 124.1-122.1 27.0 2.8 0.6 -3.5 67 67 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.955 42.6-169.5 -47.7 -66.1 -0.5 -0.7 -5.2 68 68 A H + 0 0 38 -3,-0.1 2,-1.4 2,-0.0 19,-0.0 -0.482 64.3 75.5 104.7 -57.6 0.4 -4.4 -4.8 69 69 A P + 0 0 97 0, 0.0 18,-0.0 0, 0.0 -1,-0.0 -0.594 48.0 148.4 -90.1 78.2 -2.4 -6.0 -7.0 70 70 A K + 0 0 178 -2,-1.4 2,-0.6 2,-0.1 -2,-0.0 -0.153 21.5 141.8-101.3 37.9 -1.1 -5.2 -10.5 71 71 A Q - 0 0 191 1,-0.0 3,-0.0 0, 0.0 0, 0.0 -0.710 35.6-157.7 -84.7 120.6 -2.6 -8.3 -12.0 72 72 A R - 0 0 221 -2,-0.6 -2,-0.1 2,-0.1 -1,-0.0 -0.779 30.3 -92.7-100.2 142.5 -4.0 -7.7 -15.5 73 73 A P 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.233 360.0 360.0 -52.5 129.9 -6.7 -9.9 -17.2 74 74 A G 0 0 149 -3,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.680 360.0 360.0 92.6 360.0 -5.1 -12.6 -19.2 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 76 178 B I 0 0 207 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.8 -8.9 -19.6 23.0 77 179 B P + 0 0 100 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.238 360.0 147.0 -51.4 124.5 -8.4 -16.6 20.6 78 180 B G + 0 0 70 1,-0.1 2,-0.1 0, 0.0 0, 0.0 0.155 56.9 57.3-148.6 20.5 -6.3 -13.9 22.3 79 181 B K + 0 0 155 1,-0.0 -1,-0.1 12,-0.0 3,-0.1 -0.570 45.5 139.3-157.7 85.5 -4.2 -12.3 19.5 80 182 B R + 0 0 163 1,-0.2 12,-0.1 -2,-0.1 -1,-0.0 -0.230 63.0 67.7-123.0 42.6 -6.1 -10.8 16.6 81 183 B T + 0 0 137 10,-0.1 -1,-0.2 0, 0.0 9,-0.0 -0.399 57.2 112.6-160.1 71.2 -4.0 -7.6 16.1 82 184 B E S S- 0 0 97 8,-0.4 2,-0.3 1,-0.4 -2,-0.1 0.786 73.4 -60.0-107.9 -72.2 -0.4 -8.3 14.8 83 185 B S - 0 0 31 7,-0.3 9,-0.4 6,-0.2 -1,-0.4 -0.918 46.6 -87.8-162.8-172.9 0.2 -7.1 11.3 84 186 B F - 0 0 1 -2,-0.3 -44,-0.7 7,-0.1 -43,-0.4 -0.685 28.8-166.8-109.8 165.3 -0.8 -7.2 7.6 85 187 B Y - 0 0 7 -46,-0.3 -46,-0.2 -2,-0.2 -45,-0.2 -0.232 58.8 -40.7-126.3-147.2 0.3 -9.5 4.8 86 188 B E S S- 0 0 50 -50,-3.2 -49,-0.1 1,-0.1 -47,-0.1 0.729 114.0 -56.5 -60.0 -20.8 0.0 -9.5 1.0 87 189 B C S S+ 0 0 31 -51,-0.3 -76,-0.3 -79,-0.1 -1,-0.1 0.349 126.5 33.3 170.6 -25.9 -3.6 -8.4 1.3 88 190 B C + 0 0 86 -52,-0.1 2,-1.4 -78,-0.1 -4,-0.0 0.274 66.9 115.1-146.6 20.7 -5.8 -10.5 3.4 89 191 B K > + 0 0 49 1,-0.2 3,-4.4 -53,-0.2 -6,-0.2 -0.484 35.8 175.9 -91.7 63.8 -4.0 -12.1 6.3 90 192 B E T 3 S+ 0 0 133 -2,-1.4 -8,-0.4 1,-0.3 -7,-0.3 0.841 86.4 30.6 -33.9 -50.0 -6.0 -10.2 8.9 91 193 B P T 3 S- 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -7,-0.1 0.071 83.0-177.9-100.7 22.3 -4.1 -12.2 11.6 92 194 B Y < + 0 0 51 -3,-4.4 2,-0.7 -9,-0.4 -56,-0.1 0.289 65.2 77.2 15.1 -77.6 -0.9 -12.7 9.5 93 195 B P 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.324 360.0 360.0 -55.4 99.2 0.8 -14.8 12.3 94 196 B D 0 0 178 -2,-0.7 -59,-0.1 0, 0.0 -60,-0.0 -0.014 360.0 360.0 68.0 360.0 -1.0 -18.1 11.7