==== 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 1IDL . 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) . 5263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 18.9 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 . 3 4.1 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 . 6 8.1 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 . 1 1.4 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 0 113 0, 0.0 14,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.1 -3.2 12.6 0.7 2 2 A V - 0 0 14 1,-0.5 62,-0.3 2,-0.2 10,-0.1 -0.048 360.0 -23.4-142.8-113.0 -2.5 10.1 3.4 3 3 A a S S+ 0 0 10 60,-0.3 -1,-0.5 8,-0.2 61,-0.5 0.165 105.7 5.9 -93.1-147.9 -3.5 6.3 3.7 4 4 A H + 0 0 70 59,-0.2 9,-0.2 60,-0.2 -1,-0.2 0.188 57.6 163.0 -30.4 148.5 -6.3 4.4 2.0 5 5 A T - 0 0 23 6,-0.2 7,-0.4 7,-0.1 6,-0.3 0.494 15.8-177.3-136.1 -61.9 -8.3 6.4 -0.6 6 6 A T S S- 0 0 107 1,-0.2 3,-0.1 5,-0.1 -2,-0.1 0.796 81.8 -62.2 56.7 28.6 -10.3 4.2 -3.0 7 7 A A S S+ 0 0 95 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.998 111.8 92.1 60.6 72.4 -11.3 7.4 -4.8 8 8 A T S > S- 0 0 62 1,-0.1 4,-0.6 4,-0.0 -1,-0.2 -0.975 73.0-119.0-176.0 171.9 -13.1 9.3 -2.0 9 9 A S T 4 S+ 0 0 86 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.898 101.7 61.7 -92.1 -53.6 -12.9 11.8 0.8 10 10 A P T 4 S+ 0 0 104 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.823 116.1 35.6 -42.6 -39.8 -13.9 9.7 3.9 11 11 A I T 4 S+ 0 0 72 -6,-0.3 2,-1.7 1,-0.2 -8,-0.2 0.968 111.1 54.9 -80.1 -75.2 -11.0 7.4 3.3 12 12 A S S < S+ 0 0 31 -4,-0.6 -1,-0.2 -7,-0.4 -7,-0.1 -0.415 81.9 109.7 -63.5 88.8 -8.1 9.6 2.0 13 13 A A S S- 0 0 57 -2,-1.7 -1,-0.1 -9,-0.2 -9,-0.1 -0.472 82.8 -38.4-168.4 89.1 -8.1 12.1 4.9 14 14 A V S S+ 0 0 127 -2,-0.1 -1,-0.2 -11,-0.1 -12,-0.1 0.736 73.5 127.7 59.9 126.7 -5.2 12.2 7.4 15 15 A T + 0 0 87 1,-0.6 -13,-0.1 -14,-0.1 7,-0.1 0.014 62.9 37.4-165.5 -71.0 -3.6 9.1 8.7 16 16 A b S S- 0 0 22 1,-0.2 -1,-0.6 3,-0.0 -2,-0.1 -0.711 89.2 -95.6-100.2 151.6 0.2 8.9 8.5 17 17 A P - 0 0 86 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.197 69.3 -45.8 -51.6-178.8 2.6 11.9 9.0 18 18 A P S S+ 0 0 116 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.091 83.8 103.9 -47.2 164.1 3.9 14.0 6.2 19 19 A G S S- 0 0 40 1,-0.2 28,-0.1 3,-0.1 -3,-0.0 -0.737 74.4 -64.8 141.6 170.2 5.3 12.4 3.0 20 20 A E S S- 0 0 116 -2,-0.2 43,-0.2 1,-0.2 -1,-0.2 0.912 116.3 -18.3 -51.9-100.7 4.5 11.6 -0.6 21 21 A N S S- 0 0 0 41,-0.2 -1,-0.2 42,-0.1 -2,-0.0 0.541 95.8-135.8 -87.8 -7.7 1.6 9.1 -0.7 22 22 A L S S+ 0 0 5 41,-0.1 22,-0.1 -7,-0.1 40,-0.1 0.472 75.0 54.2 61.7 144.2 2.1 8.2 2.9 23 23 A a S S- 0 0 0 20,-0.1 19,-0.0 -6,-0.1 -4,-0.0 0.919 88.9-121.0 61.7 95.7 1.9 4.6 4.0 24 24 A Y - 0 0 67 1,-0.1 2,-0.3 35,-0.1 19,-0.3 0.112 15.3-126.5 -58.8 177.2 4.4 2.7 1.8 25 25 A R + 0 0 19 33,-0.7 33,-0.5 17,-0.1 2,-0.2 -0.802 32.1 168.5-137.1 95.9 3.5 -0.1 -0.5 26 26 A K - 0 0 45 -2,-0.3 31,-0.3 31,-0.3 30,-0.1 -0.528 30.4-133.8 -99.9 168.5 5.4 -3.4 -0.3 27 27 A M S S- 0 0 77 -2,-0.2 13,-2.7 13,-0.1 -1,-0.1 0.942 82.0 -23.1 -85.5 -77.2 4.5 -6.8 -1.9 28 28 A W S S- 0 0 80 11,-0.2 8,-0.1 12,-0.1 28,-0.0 -0.274 89.0 -96.6-136.9 52.0 4.8 -9.6 0.7 29 29 A c S S- 0 0 12 27,-0.2 3,-0.2 4,-0.1 27,-0.1 0.871 80.7 -55.1 32.8 73.8 7.2 -8.3 3.4 30 30 A D S S- 0 0 71 1,-0.2 -4,-0.0 26,-0.1 0, 0.0 0.073 85.7 -59.0 57.1-176.2 10.3 -10.0 2.1 31 31 A A S S+ 0 0 73 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.719 122.3 70.4 -71.4 -21.7 10.5 -13.7 1.4 32 32 A F + 0 0 156 -3,-0.2 3,-0.1 1,-0.1 -4,-0.0 -0.683 58.6 81.1 -99.9 154.0 9.7 -14.4 5.1 33 33 A c - 0 0 51 -2,-0.3 -1,-0.1 1,-0.0 -4,-0.1 -0.388 40.1-173.0 154.4 -63.6 6.3 -13.8 6.9 34 34 A S + 0 0 113 -3,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.794 49.7 125.0 44.8 29.6 4.0 -16.7 6.2 35 35 A S - 0 0 89 -3,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.500 63.5-143.0 -93.5 -6.8 1.5 -14.5 8.1 36 36 A R + 0 0 219 1,-0.1 3,-0.1 -8,-0.1 -8,-0.0 0.911 36.7 159.3 40.6 93.0 -1.0 -14.7 5.1 37 37 A G - 0 0 40 1,-0.1 2,-1.7 0, 0.0 -1,-0.1 -0.385 57.7-101.3-141.5 61.8 -2.5 -11.2 5.1 38 38 A K S S- 0 0 169 -10,-0.0 2,-0.3 30,-0.0 -1,-0.1 -0.369 85.0 -36.4 60.1 -86.3 -4.0 -10.5 1.7 39 39 A V S S+ 0 0 33 -2,-1.7 -11,-0.2 1,-0.4 29,-0.2 -0.918 102.8 7.0-169.2 142.2 -1.2 -8.4 0.3 40 40 A V - 0 0 16 -13,-2.7 -1,-0.4 -2,-0.3 -13,-0.1 0.320 53.3-131.5 65.1 159.1 1.3 -5.8 1.6 41 41 A E - 0 0 125 -3,-0.1 -1,-0.1 0, 0.0 -16,-0.1 0.688 35.2-162.4-112.8 -36.1 1.9 -4.7 5.2 42 42 A L + 0 0 15 22,-0.0 -17,-0.1 24,-0.0 -19,-0.1 0.296 28.7 148.9 65.6 160.2 1.8 -0.9 4.9 43 43 A G - 0 0 35 -19,-0.3 -20,-0.1 -27,-0.0 2,-0.1 -0.147 65.9 -35.1 178.0 -69.5 3.1 1.5 7.4 44 44 A b + 0 0 45 -22,-0.1 -19,-0.1 -28,-0.1 -22,-0.1 -0.429 47.5 173.6 175.9 101.5 4.5 4.9 6.2 45 45 A A + 0 0 8 -2,-0.1 14,-0.0 2,-0.1 19,-0.0 0.978 13.4 157.8 -76.2 -80.4 6.4 5.5 3.0 46 46 A A S S+ 0 0 37 1,-0.2 -1,-0.1 -29,-0.1 13,-0.0 0.760 94.3 20.6 56.0 24.3 6.9 9.2 2.6 47 47 A T S S- 0 0 89 -28,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.198 93.3-137.2 172.1 -21.4 9.8 8.2 0.4 48 48 A d + 0 0 18 10,-0.1 -3,-0.1 1,-0.1 9,-0.1 0.923 43.5 166.2 41.0 68.8 9.1 4.6 -0.8 49 49 A P + 0 0 66 0, 0.0 2,-1.3 0, 0.0 -2,-0.1 -0.034 36.8 47.8 -94.0-161.1 12.7 3.4 -0.3 50 50 A S + 0 0 104 1,-0.1 7,-0.1 7,-0.0 -2,-0.0 -0.511 64.8 167.5 68.6 -94.3 14.3 -0.1 -0.1 51 51 A K - 0 0 89 -2,-1.3 7,-0.1 1,-0.1 -1,-0.1 0.367 17.8-148.6 61.4 154.3 12.8 -1.8 -3.2 52 52 A K > - 0 0 117 5,-0.3 3,-2.9 1,-0.1 5,-0.2 -0.962 30.8 -90.4-151.8 167.0 14.1 -5.1 -4.6 53 53 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.894 132.1 35.0 -45.5 -49.6 14.6 -7.2 -7.8 54 54 A Y T 3 S- 0 0 108 -3,-0.0 -3,-0.0 1,-0.0 -27,-0.0 0.176 128.2-104.2 -92.3 17.4 11.2 -8.8 -7.3 55 55 A E < + 0 0 91 -3,-2.9 -28,-0.1 1,-0.1 3,-0.1 0.829 44.9 178.5 60.9 117.0 9.9 -5.5 -5.9 56 56 A E S S+ 0 0 12 1,-0.2 2,-0.3 -29,-0.1 -27,-0.2 0.291 71.4 26.2-124.9 1.0 9.4 -5.3 -2.1 57 57 A V - 0 0 13 -31,-0.3 2,-0.3 -5,-0.2 -31,-0.3 -0.974 64.5-165.4-158.8 159.1 8.2 -1.7 -2.1 58 58 A T - 0 0 29 -33,-0.5 -33,-0.7 -2,-0.3 2,-0.6 -0.990 21.8-122.0-151.6 158.2 6.5 0.8 -4.4 59 59 A d + 0 0 61 -2,-0.3 -35,-0.1 1,-0.2 -2,-0.0 -0.904 25.2 172.0-107.0 115.7 5.7 4.5 -4.8 60 60 A e - 0 0 18 -2,-0.6 -1,-0.2 4,-0.1 4,-0.1 0.853 16.4-163.9 -87.6 -40.8 2.1 5.4 -5.1 61 61 A S S S+ 0 0 76 3,-0.1 3,-0.1 1,-0.1 4,-0.1 0.638 75.9 70.3 63.8 12.7 2.4 9.2 -5.0 62 62 A T S S- 0 0 76 1,-0.7 -41,-0.2 -40,-0.1 3,-0.1 -0.330 110.5 -69.6-158.5 67.6 -1.3 9.3 -4.2 63 63 A D S S- 0 0 4 -43,-0.2 -1,-0.7 1,-0.2 -60,-0.3 -0.013 87.4 -38.2 71.3 178.4 -2.2 7.9 -0.7 64 64 A K + 0 0 32 -61,-0.5 -60,-0.2 -62,-0.3 -1,-0.2 0.905 64.2 177.0 -36.4 -67.5 -2.0 4.3 0.5 65 65 A e + 0 0 44 -62,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.810 19.2 151.8 63.6 26.9 -3.2 3.0 -2.8 66 66 A N + 0 0 36 1,-0.1 2,-0.9 2,-0.1 -1,-0.1 0.881 19.5 124.1 -58.0 -43.2 -2.6 -0.5 -1.4 67 67 A P + 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.250 28.2 139.6 -21.1 60.9 -5.3 -2.2 -3.6 68 68 A H + 0 0 77 -2,-0.9 2,-0.8 -29,-0.2 -28,-0.1 0.673 36.1 93.0 -89.3 -21.0 -2.6 -4.6 -4.8 69 69 A P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 -30,-0.1 -0.661 51.4 140.9 -81.7 108.6 -4.8 -7.8 -4.8 70 70 A K - 0 0 160 -2,-0.8 2,-0.4 4,-0.0 4,-0.1 -0.997 27.6-168.4-148.3 141.9 -6.3 -8.3 -8.2 71 71 A Q - 0 0 175 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.996 54.5 -13.5-135.6 137.5 -7.0 -11.3 -10.5 72 72 A R S S- 0 0 212 -2,-0.4 -1,-0.2 2,-0.0 0, 0.0 0.283 102.1 -39.9 58.0 165.4 -8.0 -11.5 -14.1 73 73 A P 0 0 115 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.011 360.0 360.0 -52.6 163.9 -9.2 -8.5 -16.1 74 74 A G 0 0 137 -4,-0.1 -2,-0.0 0, 0.0 -4,-0.0 -0.972 360.0 360.0 159.8 360.0 -11.6 -6.0 -14.5