==== 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 1IDI . COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR H.ZENG,L.MOISE,M.A.GRANT,E.HAWROT . 74 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5862.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 23.0 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 . 1 1.4 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 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 86 0, 0.0 18,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 62.2 -0.8 12.6 -2.6 2 2 A V - 0 0 18 1,-0.2 62,-0.4 20,-0.1 3,-0.2 -0.180 360.0 -53.8-136.6-142.3 -1.4 10.9 0.9 3 3 A a S S+ 0 0 3 1,-0.2 2,-0.7 -2,-0.1 61,-0.6 0.830 109.0 13.0 -77.5-103.8 -2.6 7.5 2.3 4 4 A H + 0 0 96 1,-0.1 8,-0.4 59,-0.1 -1,-0.2 -0.704 65.2 157.6 -87.1 115.1 -6.0 6.1 1.0 5 5 A T - 0 0 9 -2,-0.7 -1,-0.1 -3,-0.2 59,-0.1 0.747 25.5-156.1 -89.5 -99.2 -7.4 7.9 -2.1 6 6 A T - 0 0 86 57,-0.2 2,-2.5 2,-0.1 5,-0.2 0.696 50.1 -80.8 97.5 71.8 -10.0 5.9 -4.3 7 7 A A S S+ 0 0 106 56,-0.2 56,-0.0 1,-0.1 -1,-0.0 -0.148 100.9 47.3 63.8 -57.3 -9.9 7.4 -7.9 8 8 A T S S- 0 0 118 -2,-2.5 -1,-0.1 -3,-0.1 -2,-0.1 0.817 93.2 -50.7-107.0-105.0 -12.1 10.6 -7.9 9 9 A S S S+ 0 0 97 -3,-0.2 -2,-0.1 -4,-0.1 -3,-0.0 0.866 100.8 52.7-130.0 -60.4 -12.6 13.8 -5.8 10 10 A P S S+ 0 0 116 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.891 103.5 66.7 -55.1 -43.5 -13.2 14.3 -1.8 11 11 A I + 0 0 52 -5,-0.2 -6,-0.2 2,-0.1 -5,-0.1 0.203 60.6 78.3 -63.5-176.5 -10.1 12.2 -1.0 12 12 A S S S+ 0 0 49 -8,-0.4 -7,-0.1 2,-0.0 -1,-0.1 0.981 85.4 95.4 63.4 58.6 -6.3 13.1 -1.8 13 13 A A S S- 0 0 60 1,-0.0 2,-0.4 -8,-0.0 -2,-0.1 0.353 75.5 -5.0-144.4-102.5 -6.5 15.4 1.3 14 14 A V + 0 0 140 1,-0.1 -12,-0.1 -12,-0.1 -2,-0.0 -0.976 66.1 111.9-131.0 120.6 -5.5 14.9 5.1 15 15 A T S S+ 0 0 83 1,-0.6 -1,-0.1 -2,-0.4 7,-0.1 0.299 81.5 0.6-142.2 -69.3 -4.2 11.7 6.8 16 16 A b S S- 0 0 44 1,-0.3 -1,-0.6 7,-0.0 -13,-0.1 -0.487 93.0 -63.1-116.9-173.8 -0.4 12.0 7.9 17 17 A P S S- 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.237 70.6 -64.2 -63.7-168.0 2.3 14.9 7.6 18 18 A P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.477 85.5 52.7 -86.9 156.2 3.8 16.4 4.2 19 19 A G S S- 0 0 55 -18,-0.1 27,-0.1 -2,-0.1 2,-0.0 -0.988 88.7 -31.1 138.5-140.7 5.9 14.7 1.4 20 20 A E S S- 0 0 120 -2,-0.3 41,-0.1 26,-0.3 25,-0.1 0.028 110.1 -3.4 -84.2-162.7 5.5 11.5 -0.7 21 21 A N + 0 0 1 39,-0.8 2,-0.8 1,-0.1 43,-0.1 0.336 64.0 179.5 33.9 -78.1 3.8 8.2 0.2 22 22 A L S S+ 0 0 8 -4,-0.1 23,-2.3 -7,-0.1 2,-1.0 -0.679 79.1 27.9 74.5-101.4 2.8 8.9 4.0 23 23 A a S S- 0 0 15 -2,-0.8 21,-0.1 21,-0.2 -21,-0.0 -0.766 98.9-140.3 -85.0 101.8 1.1 5.5 4.7 24 24 A Y - 0 0 44 -2,-1.0 2,-1.1 1,-0.1 19,-0.2 -0.163 12.2-123.0 -52.2 147.5 3.0 3.2 2.3 25 25 A R + 0 0 10 33,-1.1 2,-0.5 17,-0.1 -1,-0.1 -0.762 47.8 170.1 -92.4 80.9 1.2 0.4 0.3 26 26 A K - 0 0 64 -2,-1.1 15,-1.1 1,-0.2 32,-0.1 -0.909 20.1-152.8 -97.3 122.7 3.6 -2.3 1.8 27 27 A M + 0 0 67 -2,-0.5 14,-0.4 13,-0.2 12,-0.2 0.727 46.0 73.9 -62.9-134.3 2.4 -5.9 1.0 28 28 A W - 0 0 102 27,-0.3 11,-0.3 10,-0.1 -2,-0.0 -0.013 66.3-112.7 77.9-157.9 3.3 -8.9 3.4 29 29 A c > - 0 0 48 9,-0.1 2,-0.8 4,-0.0 3,-0.6 0.422 21.1-156.9-167.6 -47.6 2.6 -10.4 6.8 30 30 A D T 3 S- 0 0 150 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.628 83.0 -15.8 72.6-100.3 5.6 -10.2 9.2 31 31 A A T 3 S+ 0 0 77 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.890 130.7 19.6 -95.8 -55.9 4.8 -13.2 11.6 32 32 A F < + 0 0 189 -3,-0.6 -1,-0.2 1,-0.1 0, 0.0 -0.933 47.1 144.0-124.8 146.6 1.0 -14.2 11.0 33 33 A c + 0 0 55 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.348 2.4 162.0-127.0 -84.2 -1.8 -13.7 8.3 34 34 A S + 0 0 118 1,-0.2 2,-0.2 0, 0.0 -2,-0.0 0.925 55.5 122.5 48.5 49.7 -4.3 -16.7 7.8 35 35 A S - 0 0 65 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.824 65.5-126.2-139.0 163.1 -6.4 -13.9 6.1 36 36 A R S S+ 0 0 214 -2,-0.2 -3,-0.0 1,-0.2 0, 0.0 -0.575 88.6 53.6-130.7 76.1 -8.2 -13.0 2.7 37 37 A G S S- 0 0 62 -2,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.476 83.0-166.6 153.8 64.2 -7.2 -9.7 1.2 38 38 A K + 0 0 95 -3,-0.2 2,-0.2 -10,-0.0 -10,-0.1 -0.742 40.4 57.1 142.3 49.5 -4.1 -10.3 1.4 39 39 A V S S+ 0 0 18 -11,-0.3 -12,-0.2 -12,-0.2 -11,-0.1 -0.701 76.1 47.3 123.1 141.2 -1.6 -7.8 1.0 40 40 A V + 0 0 38 -2,-0.2 -13,-0.2 -15,-0.0 -12,-0.1 0.916 25.9 175.5 51.2 117.1 -1.1 -4.5 3.0 41 41 A E - 0 0 153 -15,-1.1 2,-0.2 -14,-0.4 -13,-0.0 0.298 40.3-131.8 -97.1-117.7 -1.0 -3.3 6.6 42 42 A L + 0 0 96 -17,-0.1 2,-0.2 -2,-0.1 -17,-0.1 -0.902 28.5 167.5 172.2 161.2 -0.1 0.6 6.7 43 43 A G - 0 0 21 -19,-0.2 2,-0.2 -2,-0.2 -40,-0.0 -0.703 41.0 -93.8-157.2-153.5 2.2 3.2 8.5 44 44 A b + 0 0 81 -2,-0.2 -21,-0.2 -21,-0.1 -23,-0.0 -0.809 69.5 116.2-147.9 108.8 3.6 6.9 8.4 45 45 A A - 0 0 42 -23,-2.3 -22,-0.1 -2,-0.2 -24,-0.1 0.657 45.2-160.9-146.0 -66.7 6.9 6.9 6.5 46 46 A A S S+ 0 0 34 -24,-0.8 -26,-0.3 1,-0.1 -25,-0.1 0.667 81.2 64.1 64.6 23.5 7.5 8.9 3.1 47 47 A T S S- 0 0 94 -25,-0.2 12,-0.2 -27,-0.1 -1,-0.1 0.681 82.7-132.8-140.1 -43.8 10.7 6.7 2.3 48 48 A d + 0 0 43 10,-0.1 11,-0.1 1,-0.0 10,-0.0 0.978 33.8 173.6 62.4 88.6 10.4 2.8 1.6 49 49 A P + 0 0 95 0, 0.0 -1,-0.0 0, 0.0 -4,-0.0 0.725 57.1 26.7 -99.3 -26.8 13.3 1.3 3.9 50 50 A S S S+ 0 0 89 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.590 78.4 109.1-104.6-110.6 13.3 -2.6 4.0 51 51 A K + 0 0 68 1,-0.1 7,-0.0 6,-0.0 -25,-0.0 0.857 25.7 123.5 59.9 94.1 11.7 -4.5 1.0 52 52 A K + 0 0 171 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.233 64.0 15.7-146.9 -78.7 13.7 -6.6 -1.6 53 53 A P S S+ 0 0 106 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.959 118.4 23.1 -80.0 -58.7 13.2 -10.4 -2.6 54 54 A Y S S- 0 0 186 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.853 117.9 -39.6 -72.9 -56.3 10.0 -12.3 -1.6 55 55 A E + 0 0 42 2,-0.1 -27,-0.3 0, 0.0 2,-0.2 0.702 55.6 118.7 159.9-170.3 8.4 -9.4 -1.4 56 56 A E - 0 0 28 -29,-0.1 2,-0.1 1,-0.1 -30,-0.1 -0.489 32.7-116.8-106.2 159.8 6.6 -6.0 -1.0 57 57 A V - 0 0 37 -2,-0.2 -30,-0.1 1,-0.1 2,-0.1 -0.304 47.1-149.4 -82.7 174.6 4.9 -3.1 -2.8 58 58 A T - 0 0 52 1,-0.2 -33,-1.1 -32,-0.1 2,-0.1 -0.360 25.6 -24.3-126.6 177.9 6.5 0.3 -2.5 59 59 A d - 0 0 45 -35,-0.2 2,-0.5 -12,-0.2 -1,-0.2 -0.360 66.7-118.7 -27.3 114.8 6.9 4.0 -2.3 60 60 A e - 0 0 4 1,-0.1 -39,-0.8 -2,-0.1 -1,-0.1 -0.687 22.6-168.8 -74.1 125.6 3.8 5.6 -4.0 61 61 A S S S+ 0 0 122 -2,-0.5 2,-0.3 -41,-0.1 -1,-0.1 0.448 75.1 15.4 -73.7 -5.7 4.4 7.8 -7.1 62 62 A T S S- 0 0 71 -60,-0.1 2,-0.1 -41,-0.0 -1,-0.1 -0.983 103.5 -47.3-164.4 162.6 0.7 8.9 -6.8 63 63 A D S S- 0 0 72 -2,-0.3 2,-1.4 1,-0.2 -56,-0.2 -0.243 122.0 -19.9 -44.4 107.7 -2.7 9.2 -5.0 64 64 A K S S- 0 0 40 -61,-0.6 2,-1.6 -62,-0.4 -1,-0.2 -0.509 72.4-170.5 76.2 -65.4 -3.3 5.6 -3.5 65 65 A e - 0 0 41 -2,-1.4 -2,-0.1 -5,-0.1 -6,-0.1 -0.585 37.3-168.7 67.5 -75.3 -0.8 3.8 -5.9 66 66 A N - 0 0 54 -2,-1.6 -1,-0.1 2,-0.1 -41,-0.1 0.457 29.1-124.0 91.4 153.7 -2.4 0.6 -4.4 67 67 A P S S- 0 0 36 0, 0.0 3,-0.1 0, 0.0 -40,-0.1 0.965 78.3 -3.1 -80.2 -86.9 -2.0 -3.2 -4.1 68 68 A H S S+ 0 0 85 2,-0.1 -2,-0.1 1,-0.0 -29,-0.0 -0.972 70.1 120.9 73.7 37.9 -4.4 -5.6 -4.9 69 69 A P + 0 0 92 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 0.721 61.7 139.7 -72.4 -68.9 -7.7 -4.1 -6.0 70 70 A K + 0 0 118 -3,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.896 28.0 166.6 57.3 117.1 -6.5 -6.2 -9.0 71 71 A Q - 0 0 152 1,-0.2 -1,-0.0 0, 0.0 -3,-0.0 0.615 40.6 -59.6-127.0 -94.8 -8.7 -8.4 -11.2 72 72 A R - 0 0 205 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.955 57.2 -74.6-156.0 163.7 -7.9 -10.1 -14.7 73 73 A P 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.700 360.0 360.0 -65.1 115.0 -6.8 -9.3 -18.4 74 74 A G 0 0 149 -2,-0.6 0, 0.0 0, 0.0 0, 0.0 0.298 360.0 360.0-136.1 360.0 -10.3 -7.9 -19.4