==== 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 11-DEC-01 1KL8 . 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) . 6881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 31.2 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 . 14 15.1 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 . 11 11.8 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 1 0 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 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 I 0 0 107 0, 0.0 15,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 144.9 -16.1 23.2 -2.6 2 2 A V E -A 15 0A 40 13,-0.2 2,-0.2 19,-0.0 13,-0.2 -0.672 360.0-173.2-113.1 170.7 -14.7 19.9 -1.2 3 3 A a E -A 14 0A 3 11,-2.4 11,-1.3 -2,-0.2 61,-0.2 -0.775 35.6 -97.8-162.6 129.2 -12.2 17.4 -2.7 4 4 A H - 0 0 24 -2,-0.2 9,-0.2 9,-0.2 39,-0.2 -0.007 50.1 -96.8 -41.7 144.5 -11.1 13.9 -1.2 5 5 A T - 0 0 28 7,-0.3 38,-0.1 5,-0.1 37,-0.1 0.062 43.6 -88.0 -51.5 170.4 -7.7 13.9 0.7 6 6 A T - 0 0 88 35,-0.1 36,-0.5 1,-0.1 -1,-0.1 0.678 63.4-114.8 -49.5 -20.0 -4.4 12.8 -0.8 7 7 A A + 0 0 2 3,-0.2 4,-0.1 34,-0.1 78,-0.1 0.927 52.8 166.6 74.7 52.8 -5.4 9.2 0.3 8 8 A T S S- 0 0 119 2,-0.3 3,-0.1 76,-0.1 79,-0.1 0.908 77.4 -54.3 -56.3 -43.6 -2.6 8.6 2.9 9 9 A S S S+ 0 0 78 1,-0.2 2,-0.7 75,-0.1 76,-0.1 0.082 128.8 57.7-167.1 -65.4 -4.5 5.5 4.3 10 10 A P S S- 0 0 79 0, 0.0 2,-0.8 0, 0.0 -2,-0.3 -0.775 80.8-132.6 -89.9 111.8 -8.2 6.4 5.3 11 11 A I + 0 0 44 -2,-0.7 2,-0.1 -4,-0.1 -7,-0.0 -0.502 51.1 148.5 -63.7 102.2 -10.1 7.9 2.3 12 12 A S - 0 0 65 -2,-0.8 2,-0.3 0, 0.0 -7,-0.3 -0.037 43.7 -95.6-115.4-147.9 -11.6 11.0 4.0 13 13 A A + 0 0 60 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.2 -0.998 35.2 171.1-147.4 144.2 -12.5 14.5 2.7 14 14 A V E -A 3 0A 75 -11,-1.3 -11,-2.4 -2,-0.3 2,-0.1 -0.954 35.5 -94.1-146.4 161.8 -10.7 17.9 2.7 15 15 A T E -A 2 0A 110 -2,-0.3 -13,-0.2 -13,-0.2 29,-0.1 -0.444 37.9-118.7 -76.9 153.3 -11.1 21.5 1.2 16 16 A b - 0 0 13 -15,-0.7 5,-0.1 1,-0.1 -1,-0.1 -0.701 34.0-100.3 -84.9 147.3 -9.4 22.5 -2.1 17 17 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.040 41.7 -94.2 -50.3 168.4 -6.7 25.4 -2.2 18 18 A P S S+ 0 0 142 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.847 126.4 31.4 -56.3 -35.4 -7.7 29.1 -3.4 19 19 A G S S+ 0 0 47 2,-0.0 26,-0.1 0, 0.0 -3,-0.0 0.936 114.2 62.2 -82.8 -60.2 -6.5 28.2 -7.0 20 20 A E + 0 0 78 1,-0.1 26,-0.3 24,-0.1 3,-0.1 -0.290 47.0 145.8 -70.2 151.9 -7.2 24.4 -7.2 21 21 A N + 0 0 67 24,-2.9 25,-0.2 1,-0.2 -1,-0.1 0.345 45.5 84.8-154.6 -51.0 -10.9 23.1 -6.9 22 22 A L E S-B 45 0B 16 23,-0.8 23,-3.0 39,-0.1 2,-0.5 -0.332 76.2-118.0 -66.4 148.2 -11.3 20.0 -9.2 23 23 A a E -BC 44 60B 1 37,-1.4 37,-1.4 40,-0.4 2,-0.3 -0.803 29.4-163.2 -92.4 129.8 -10.4 16.5 -7.9 24 24 A Y E -BC 43 59B 66 19,-3.1 19,-0.6 -2,-0.5 2,-0.4 -0.761 8.3-162.7-108.4 158.1 -7.6 14.5 -9.7 25 25 A R E -BC 42 58B 93 33,-1.8 33,-2.1 -2,-0.3 2,-0.5 -0.980 5.8-156.9-142.0 123.5 -6.6 10.8 -9.7 26 26 A K E +BC 41 57B 84 15,-1.3 15,-1.6 -2,-0.4 2,-0.4 -0.895 21.4 171.8-105.1 124.8 -3.3 9.4 -10.9 27 27 A M - 0 0 14 29,-1.4 29,-0.4 -2,-0.5 -2,-0.0 -0.990 29.9-175.8-140.5 139.3 -3.2 5.7 -12.0 28 28 A W S S+ 0 0 85 -2,-0.4 -1,-0.0 27,-0.1 -2,-0.0 -0.080 89.6 43.3-121.6 34.4 -0.7 3.3 -13.7 29 29 A c - 0 0 33 2,-0.0 3,-0.2 0, 0.0 9,-0.1 0.507 67.9-178.5-139.8 -51.8 -3.0 0.2 -13.9 30 30 A D S S+ 0 0 113 1,-0.2 2,-0.0 3,-0.0 8,-0.0 0.888 72.4 43.6 44.4 61.1 -6.5 1.5 -15.2 31 31 A A S S- 0 0 57 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 -0.352 121.3 -43.6 174.5 -91.9 -8.2 -1.9 -15.1 32 32 A F + 0 0 171 -3,-0.2 6,-0.2 5,-0.2 5,-0.1 -0.559 38.5 178.3 177.9 90.3 -7.6 -4.3 -12.1 33 33 A c - 0 0 55 4,-3.0 3,-0.1 1,-0.1 5,-0.1 0.252 57.0-114.7 -80.1 13.4 -4.2 -4.9 -10.5 34 34 A S S S+ 0 0 96 1,-0.2 2,-1.9 3,-0.0 -1,-0.1 0.398 89.6 37.7 66.8 153.1 -6.0 -7.2 -7.9 35 35 A S S S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.536 133.3 20.0 78.7 -79.5 -6.2 -6.6 -4.1 36 36 A R S S- 0 0 65 -2,-1.9 50,-1.0 1,-0.2 -1,-0.2 -0.417 96.2-127.5-120.0 55.5 -6.7 -2.7 -4.4 37 37 A G S S- 0 0 14 48,-0.1 -4,-3.0 49,-0.1 2,-0.3 -0.129 76.1 -11.4 42.6 -97.4 -7.9 -2.2 -8.1 38 38 A K S S- 0 0 51 -6,-0.2 -11,-0.0 -7,-0.1 -3,-0.0 -0.902 73.1-101.1-129.8 154.3 -5.3 0.5 -9.2 39 39 A V + 0 0 0 -2,-0.3 -12,-0.1 46,-0.2 50,-0.1 0.772 54.1 177.0 -33.7 -53.0 -2.7 2.7 -7.5 40 40 A V - 0 0 4 1,-0.2 2,-0.8 -15,-0.1 -13,-0.2 0.860 15.4-161.0 40.2 94.5 -5.0 5.9 -7.6 41 41 A E E -B 26 0B 52 -15,-1.6 -15,-1.3 43,-0.1 -1,-0.2 -0.895 10.7-152.0-107.9 106.4 -3.5 8.9 -5.9 42 42 A L E +B 25 0B 3 -2,-0.8 2,-0.2 -36,-0.5 -17,-0.2 -0.088 30.1 137.9 -67.2 168.3 -6.2 11.4 -5.0 43 43 A G E -B 24 0B 8 -19,-0.6 -19,-3.1 -39,-0.2 2,-0.2 -0.671 51.1 -90.0 157.6 149.9 -5.5 15.2 -4.7 44 44 A b E +B 23 0B 30 -21,-0.2 2,-0.3 -2,-0.2 -21,-0.2 -0.536 43.4 179.9 -80.5 146.1 -6.9 18.6 -5.6 45 45 A A E -B 22 0B 17 -23,-3.0 -24,-2.9 -2,-0.2 -23,-0.8 -0.869 31.0-147.7-138.9 167.5 -6.0 20.3 -9.1 46 46 A A S S+ 0 0 60 -26,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.677 81.9 48.7-108.8 -30.4 -6.7 23.5 -11.1 47 47 A T - 0 0 119 -25,-0.1 -1,-0.1 -26,-0.0 -26,-0.1 -0.772 56.5-165.0-112.6 157.2 -6.6 22.2 -14.7 48 48 A d + 0 0 50 -2,-0.3 13,-0.1 11,-0.1 11,-0.1 -0.653 16.3 175.2-142.1 83.1 -8.3 19.1 -16.4 49 49 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 10,-0.2 -0.077 9.6-163.8 -74.7-176.7 -6.8 18.1 -19.9 50 50 A S + 0 0 118 8,-0.1 8,-0.0 2,-0.1 -2,-0.0 -0.745 32.4 130.8-173.8 123.2 -7.9 15.0 -22.0 51 51 A K S S- 0 0 153 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.135 86.4 -63.2-178.0 61.5 -6.1 13.3 -24.9 52 52 A K - 0 0 146 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.970 56.4-168.8 55.9 70.8 -5.7 9.5 -24.5 53 53 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.882 6.9-162.6 -58.3 -40.1 -3.4 9.4 -21.3 54 54 A Y S S- 0 0 192 2,-0.0 -2,-0.0 -24,-0.0 2,-0.0 0.622 89.6 -5.0 62.3 17.9 -2.6 5.6 -21.5 55 55 A E S S+ 0 0 119 -27,-0.0 2,-0.2 0, 0.0 -27,-0.1 0.300 107.9 111.5 115.8 91.9 -1.6 6.2 -17.8 56 56 A E - 0 0 93 -29,-0.4 -29,-1.4 -31,-0.1 2,-0.6 -0.764 69.9 -55.3-159.8-151.6 -1.7 9.9 -16.7 57 57 A V E -C 26 0B 51 -2,-0.2 -31,-0.2 -31,-0.2 2,-0.2 -0.928 49.3-177.6-112.3 113.0 -3.7 12.3 -14.4 58 58 A T E +C 25 0B 65 -33,-2.1 -33,-1.8 -2,-0.6 2,-0.3 -0.457 7.4 168.1 -98.3 174.8 -7.5 12.4 -14.9 59 59 A d E -C 24 0B 26 -35,-0.3 2,-0.3 -10,-0.2 -35,-0.2 -0.984 29.3-127.5-172.7 176.5 -10.1 14.7 -13.0 60 60 A e E -C 23 0B 38 -37,-1.4 2,-2.0 -2,-0.3 -37,-1.4 -0.958 26.6-124.8-147.3 126.3 -13.6 16.2 -12.7 61 61 A S S S+ 0 0 100 -2,-0.3 2,-0.2 -39,-0.2 -39,-0.1 -0.440 83.7 66.8 -74.6 73.7 -14.5 19.9 -12.4 62 62 A T S S- 0 0 68 -2,-2.0 3,-0.2 1,-0.3 -39,-0.2 -0.823 91.0 -69.9-166.6-165.3 -16.5 19.6 -9.2 63 63 A D S S- 0 0 65 -2,-0.2 2,-2.1 1,-0.2 -40,-0.4 0.572 107.0 -5.8 -76.1-132.9 -16.2 18.7 -5.4 64 64 A K S S+ 0 0 108 -61,-0.2 -1,-0.2 1,-0.2 -61,-0.1 -0.515 84.4 142.3 -58.2 73.8 -15.5 15.2 -4.2 65 65 A e + 0 0 47 -2,-2.1 -1,-0.2 -5,-0.2 -4,-0.1 0.425 57.9 66.1-104.6 -2.9 -15.8 13.9 -7.8 66 66 A N + 0 0 1 -3,-0.2 2,-0.4 -42,-0.1 -1,-0.2 0.126 62.9 156.2 -94.1 16.0 -12.9 11.3 -7.4 67 67 A P - 0 0 23 0, 0.0 -3,-0.0 0, 0.0 -56,-0.0 -0.245 20.4-172.5 -51.2 97.8 -14.7 8.9 -4.7 68 68 A H S S+ 0 0 27 -2,-0.4 19,-0.1 1,-0.1 18,-0.0 0.950 76.6 44.2 -63.9 -51.8 -12.7 5.8 -5.4 69 69 A P + 0 0 52 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.985 63.3 158.1 -50.7 -72.8 -14.9 3.4 -3.1 70 70 A K + 0 0 159 1,-0.2 2,-0.7 0, 0.0 -2,-0.0 0.793 23.4 156.0 46.3 33.0 -18.5 4.6 -4.2 71 71 A Q + 0 0 160 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.800 7.5 157.3 -98.6 109.0 -19.7 1.2 -2.9 72 72 A R - 0 0 229 -2,-0.7 0, 0.0 -3,-0.1 0, 0.0 -0.994 31.1-136.9-134.7 129.0 -23.3 1.3 -2.0 73 73 A P 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.068 360.0 360.0 -67.4-174.5 -25.9 -1.7 -1.7 74 74 A G 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.368 360.0 360.0-159.4 360.0 -29.5 -1.6 -3.1 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 0 211 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.3 18.5 -5.1 6.6 77 179 B P - 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.482 360.0-169.2 -62.7 106.8 15.0 -4.2 5.1 78 180 B G - 0 0 70 -2,-0.6 0, 0.0 0, 0.0 0, 0.0 0.957 19.6-165.2 -60.5 -52.2 15.9 -1.5 2.4 79 181 B K - 0 0 110 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.768 10.0-125.6 67.8 124.5 12.2 -0.6 1.9 80 182 B R - 0 0 165 13,-0.1 2,-0.3 11,-0.1 0, 0.0 0.184 36.2 -84.9 -82.1-162.3 11.2 1.5 -1.2 81 183 B T - 0 0 139 10,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.466 59.2-162.5-101.7 59.6 9.2 4.8 -1.4 82 184 B E - 0 0 70 -2,-0.3 2,-0.1 1,-0.1 8,-0.0 -0.059 4.8-161.3 -47.6 131.4 5.8 2.9 -1.3 83 185 B S - 0 0 50 1,-0.2 9,-0.9 8,-0.0 2,-0.2 -0.206 24.9 -76.6-101.5-167.2 2.8 4.9 -2.5 84 186 B F - 0 0 19 7,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.491 36.6-167.9 -89.3 165.9 -1.0 4.5 -2.0 85 187 B Y - 0 0 16 -2,-0.2 -46,-0.2 -78,-0.1 -48,-0.1 -0.332 57.0 -50.6-124.1-152.4 -3.4 2.1 -3.8 86 188 B E S S- 0 0 57 -50,-1.0 -18,-0.1 -2,-0.1 -49,-0.1 0.846 109.8 -55.4 -51.9 -39.1 -7.3 1.8 -3.9 87 189 B C S S+ 0 0 37 -19,-0.1 -76,-0.1 -79,-0.1 -1,-0.1 0.276 124.3 14.2-170.5 -42.8 -7.5 2.1 -0.1 88 190 B C + 0 0 73 -78,-0.1 -4,-0.0 -4,-0.0 -79,-0.0 -0.110 61.1 136.3-162.1 41.8 -5.5 -0.6 1.8 89 191 B K - 0 0 33 1,-0.3 -53,-0.1 -53,-0.1 -50,-0.0 0.152 63.2-129.7 -85.5 22.4 -2.9 -2.5 -0.3 90 192 B E S S- 0 0 163 1,-0.1 2,-1.4 -81,-0.1 -1,-0.3 -0.336 77.2 -8.5 70.8-148.9 -0.4 -2.1 2.6 91 193 B P S S- 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.687 86.5-129.9 -73.0 90.1 3.0 -0.7 1.2 92 194 B Y S S+ 0 0 57 -2,-1.4 2,-0.5 -9,-0.9 -8,-0.1 0.509 90.4 76.5 -2.7 -68.7 2.1 -1.0 -2.6 93 195 B P 0 0 41 0, 0.0 -13,-0.1 0, 0.0 -11,-0.1 -0.461 360.0 360.0 -62.0 108.6 5.4 -2.8 -3.7 94 196 B D 0 0 183 -2,-0.5 -2,-0.1 -4,-0.1 0, 0.0 -0.493 360.0 360.0 72.2 360.0 4.9 -6.5 -2.4